GRIZZLY Model of Multi-Reactive Species Diffusion, Moisture/Heat Transfer and Alkali-Silica Reaction for Simulating Concrete Aging and Degradation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Huang, Hai; Spencer, Benjamin W.; Cai, Guowei

Concrete is widely used in the construction of nuclear facilities because of its structural strength and its ability to shield radiation. The use of concrete in nuclear power plants for containment and shielding of radiation and radioactive materials has made its performance crucial for the safe operation of the facility. As such, when life extension is considered for nuclear power plants, it is critical to have accurate and reliable predictive tools to address concerns related to various aging processes of concrete structures and the capacity of structures subjected to age-related degradation. The goal of this report is to document themore » progress of the development and implementation of a fully coupled thermo-hydro-mechanical-chemical model in GRIZZLY code with the ultimate goal to reliably simulate and predict long-term performance and response of aged NPP concrete structures subjected to a number of aging mechanisms including external chemical attacks and volume-changing chemical reactions within concrete structures induced by alkali-silica reactions and long-term exposure to irradiation. Based on a number of survey reports of concrete aging mechanisms relevant to nuclear power plants and recommendations from researchers in concrete community, we’ve implemented three modules during FY15 in GRIZZLY code, (1) multi-species reactive diffusion model within cement materials; (2) coupled moisture and heat transfer model in concrete; and (3) anisotropic, stress-dependent, alkali-silica reaction induced swelling model. The multi-species reactive diffusion model was implemented with the objective to model aging of concrete structures subjected to aggressive external chemical attacks (e.g., chloride attack, sulfate attack, etc.). It considers multiple processes relevant to external chemical attacks such as diffusion of ions in aqueous phase within pore spaces, equilibrium chemical speciation reactions and kinetic mineral dissolution/precipitation. The moisture/heat transfer module was implemented to simulate long-term spatial and temporal evolutions of the moisture and temperature fields within concrete structures at both room and elevated temperatures. The ASR swelling model implemented in GRIZZLY code can simulate anisotropic expansions of ASR gel under either uniaxial, biaxial and triaxial stress states, and can be run simultaneously with the moisture/heat transfer model and coupled with various elastic/inelastic solid mechanics models that were implemented in GRIZZLY code previously. This report provides detailed descriptions of the governing equations, constitutive equations and numerical algorithms of the three modules implemented in GRIZZLY during FY15, simulation results of example problems and model validation results by comparing simulations with available experimental data reported in the literature. The close match between the experiments and simulations clearly demonstrate the potential of GRIZZLY code for reliable evaluation and prediction of long-term performance and response of aged concrete structures in nuclear power plants.« less

Application of Electron Backscatter Diffraction to evaluate the ASR risk of concrete aggregates

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rößler, C., E-mail: christiane.roessler@uni-weimar.de; Möser, B.; Giebson, C.

Alkali-Silica Reaction (ASR) is a frequent cause of reduced concrete durability. Eliminating the application of alkali reactive aggregates would reduce the quantity of ASR concrete deterioration in the field. This study introduces an Electron Backscatter Diffraction (EBSD) technique to distinguish the ASR risk of slow-late reacting aggregates by measuring microstructural properties of quartz. Quantifying the amount of quartz grain boundaries and the associated misorientation of grains can thereby be used to differentiate microstructures bearing an ASR risk. It is also shown that dissolution of quartz in high pH environments occurs along quartz grain and subgrain boundaries. Results of EBSD analysismore » are compared with ASR performance testing on concrete prisms and optical light microscopy characterization of quartz microstructure. EBSD opens new possibilities to quantitatively characterize microstructure of quartz in concrete aggregates with respect to ASR. This leads to a better understanding on the actual cause of ASR.« less

Stable carbon isotopes and lipid biomarkers provide new insight into the formation of calcite and siderite concretions in organic-matter rich deposits

NASA Astrophysics Data System (ADS)

Baumann, Lydia; Birgel, Daniel; Wagreich, Michael; Peckmann, Jörn

2015-04-01

Carbonate concretions from two distinct settings have been studied for their petrography, stable carbon and oxygen isotopes, and lipid biomarker content. Carbonate concretions are in large part products of microbial degradation of organic matter, as for example by sulfate-reducing bacteria, iron-reducing bacteria, and methanogenic archaea. For these prokaryotes certain lipid biomarkers such as hopanoids, terminally-branched fatty acids (bacteria) and isoprenoids (archaea) are characteristic. Two different types of concretions were studied: a) Upper Miocene septarian calcite concretions of the southern Vienna Basin embedded in brackish sediments represented by partly bituminous calcareous sands, silts and clays; b) Paleocene-Eocene siderite concretions enclosed in marine, sandy to silty turbidites with varying carbonate contents and marl layers from the Upper Gosau Subgroup in northern Styria. Calcite concretions consist of abundant calcite microspar (80-90 vol.%), as well as detrital minerals and iron oxyhydroxides. The septarian cracks show beginning cementation with dog-tooth calcite to varying degrees. Framboidal pyrite occurs in some of the calcite concretions, pointing to bacterial sulfate reduction. Siderite concretions consist of even finer carbonate crystals, mainly siderite (40-70 vol.%) but also abundant ferroan calcite, accompanied by iron oxyhydroxides and detrital minerals. The δ13C values of the calcite concretions (-6.8 to -4.1o ) most likely reflect a combination of bacterial organic matter oxidation and input of marine biodetrital carbonate. The δ18O values range from -8.9 to -7.8o agreeing with a formation within a meteoric environment. The surrounding host sediment shows about 1-2o higher δ13C and δ18O values. The siderite δ13C values (-11.1 to -7.5o ) point to microbial respiration of organic carbon and the δ18O values (-3.5 to +2.2o ) agree with a marine depositional environment. In contrast to the calcite concretions, the stable isotope composition of the host sediment differs significantly from the siderite concretions. The δ13C values of the Gosau host sediment reflect marine conditions, whereas the oxygen isotope values are best explained by meteoric overprint. Lipid biomarkers have been extracted before and after dissolution of the concretions in order to assess their authenticity and to exclude recent surface contamination. In the following, only the biomarkers extracted after dissolution are discussed, since they are thought to be related to concretion formation. The calcite concretions comprise abundant plant wax derived long-chain n-alkanes, reflecting high terrestrial input. Bacterial, terminally-branched fatty acids were found, but in overall low abundance. The siderite concretions did not yield biomarkers due to their high maturity. No archaeal biomarkers were found in any of the concretions. Considering the presence of framboidal pyrite, the moderately low δ13C values, and the biomarker inventory, bacterial sulfate reduction apparently contributed to the formation of the calcite concretions in a brackish environment. In contrast, ongoing sulfate reduction and resultant hydrogen sulfide production inhibit siderite precipitation. Therefore, the low δ13C values of the siderite concretions are best explained by bacterial iron reduction.

Rapid method to determine 89Sr/ 90Sr in large concrete samples

DOE Office of Scientific and Technical Information (OSTI.GOV)

Maxwell, Sherrod L.; Culligan, Brian; Hutchison, Jay B.

Here, a new rapid method has been developed that provides high quality low-level measurements of 89,90Sr in concrete samples with an MDA (Minimum Detectable Activity) of <1 mBq g -1. The new method is fast, meets new decommissioning regulatory limits and is robust even if refractory particles are present. The method utilizes a rapid fusion to ensure total dissolution of samples and rapid preconcentration and separation of 89,90Sr from 5-10 g concrete samples. When, the 89Sr/ 90Sr ratio is high, Sr can be isolated from up to 5g concrete samples, total 89/90Sr measured, and then 90Sr determined via 90Y separatedmore » after a period of ingrowth. Another approach allows the immediate determination of 90Sr in 10 g concrete aliquots without waiting for 90Y ingrowth, in instances where the shorter lived 89Sr is unlikely to be encountered.« less

Rapid method to determine 89Sr/ 90Sr in large concrete samples

DOE PAGES

Maxwell, Sherrod L.; Culligan, Brian; Hutchison, Jay B.; ...

2016-03-24

Here, a new rapid method has been developed that provides high quality low-level measurements of 89,90Sr in concrete samples with an MDA (Minimum Detectable Activity) of <1 mBq g -1. The new method is fast, meets new decommissioning regulatory limits and is robust even if refractory particles are present. The method utilizes a rapid fusion to ensure total dissolution of samples and rapid preconcentration and separation of 89,90Sr from 5-10 g concrete samples. When, the 89Sr/ 90Sr ratio is high, Sr can be isolated from up to 5g concrete samples, total 89/90Sr measured, and then 90Sr determined via 90Y separatedmore » after a period of ingrowth. Another approach allows the immediate determination of 90Sr in 10 g concrete aliquots without waiting for 90Y ingrowth, in instances where the shorter lived 89Sr is unlikely to be encountered.« less

Spectral Induced Polarization of Low-pH Concrete. Influence of the Electrical Double Layer and Pore Size

NASA Astrophysics Data System (ADS)

Leroy, P. G.; Gaboreau, S.; Zimmermann, E.; Hoerdt, A.; Claret, F.; Huisman, J. A.; Tournassat, C.

2017-12-01

Low-pH concretes are foreseen to be used in nuclear waste disposal. Understanding their reactivity upon the considered host-rock is a key point. Evolution of mineralogy, porosity, pore size distribution and connectivity can be monitored in situ using geophysical methods such as induced polarization (IP). This electrical method consists of injecting an alternating current and measuring the resulting voltage in the porous medium. Spectral IP (SIP) measurements in the 10 mHz to 10 kHz frequency range were carried out on low-pH concrete and cement paste first in equilibrium and then in contact with a CO2 enriched and diluted water. We observed a very high resistivity of the materials (> 10 kOhm m) and a strong phase shift between injected current and measured voltage (superior to 40 mrad and above 100 mrad for frequencies > 100 Hz). These observations were modelled by considering membrane polarization with ion exclusion in nanopores whose surface electrical properties were computed using a basic Stern model of the cement/water interface. Pore size distribution was deduced from SIP and was compared to the measured ones. In addition, we observed a decrease of the material resistivity due to the dissolution of cement in contact with external water. Our results show that SIP may be a valuable method to monitor the mineralogy and the petrophysical and transport properties of cements.

Effects of Irradiation on Albite's Chemical Durability.

PubMed

Hsiao, Yi-Hsuan; La Plante, Erika Callagon; Krishnan, N M Anoop; Le Pape, Yann; Neithalath, Narayanan; Bauchy, Mathieu; Sant, Gaurav

2017-10-19

Albite (NaAlSi 3 O 8 ), a framework silicate of the plagioclase feldspar family and a common constituent of felsic rocks, is often present in the siliceous mineral aggregates that compose concrete. When exposed to radiation (e.g., in the form of neutrons) in nuclear power plants, the crystal structure of albite can undergo significant alterations. These alterations may degrade its chemical durability. Indeed, careful examinations of Ar + -implanted albite carried out using Fourier transform infrared spectroscopy (FTIR) and molecular dynamics simulations show that albite's crystal structure, upon irradiation, undergoes progressive disordering, resulting in an expansion in its molar volume (i.e., a reduction of density) and a reduction in the connectivity of its atomic network. This loss of network connectivity (i.e., rigidity) results in an enhancement of the aqueous dissolution rate of albite-measured using vertical scanning interferometry (VSI) in alkaline environments-by a factor of 20. This enhancement in the dissolution rate (i.e., reduction in chemical durability) of albite following irradiation has significant impacts on the durability of felsic rocks and of concrete containing them upon their exposure to radiation in nuclear power plant (NPP) environments.

[Two cases of phytobezoars treated by adminsitration of Coca-Cola by oral route].

PubMed

Lee, Hyun Jai; Kang, Hyoun Goo; Park, Se Young; Yi, Chea Yong; Na, Gyoung Jun; Lee, Tae Yeong; Kim, Sang Hyun; Song, Chul Soo

2006-12-01

Bezoars are concretions of foreign bodies found in the gastrointestinal tract. In the past, most common method for the treatment of bezoar was surgical management. However, the current treatment methods include chemical dissolution and endoscopic mechanical lithotripsy. There were few reports on the treatment of phytobezoars by nasogastric Cola lavage. However, there was no report succeeded by oral route alone. In our two cases, phytobezoars were treated by oral administration of Coca-Cola. Our patients drank 700-800 mL of Coca-Cola daily, and after two months, complete dissolutions of bezoars were achieved. We report two cases of phytobezoars completely treated by drinking Coca-Cola.

Pervious concrete reactive barrier for removal of heavy metals from acid mine drainage - column study.

PubMed

Shabalala, Ayanda N; Ekolu, Stephen O; Diop, Souleymane; Solomon, Fitsum

2017-02-05

This paper presents a column study conducted to investigate the potential use of pervious concrete as a reactive barrier for treatment of water impacted by mine waste. The study was done using acid mine drainage (AMD) collected from a gold mine (WZ) and a coalfield (TDB). Pervious concrete mixtures consisting of Portland cement CEM I 52.5R with or without 30% fly ash (FA) were prepared at a water-cementitious ratio of 0.27 then used to make cubes which were employed in the reactor columns. It was found that the removal efficiency levels of Al, Fe, Mn, Co and Ni were 75%, 98%, 99%, 94% and 95% for WZ; 87%, 96%, 99%, 98% and 90% for TDB, respectively. The high rate of acid reduction and metal removal by pervious concrete is attributed to dissolution of portlandite which is a typical constituent of concrete. The dominant reaction product in all four columns was gypsum, which also contributed to some removal of sulphate from AMD. Formation of gypsum, goethite, and Glauber's salt were identified. Precipitation of metal hydroxides seems to be the dominant metal removal mechanism. Use of pervious concrete offers a promising alternative treatment method for polluted or acidic mine water. Copyright © 2016 Elsevier B.V. All rights reserved.

Production and Application of Olivine Nano-Silica in Concrete

NASA Astrophysics Data System (ADS)

Mardiana, Oesman; Haryadi

2017-05-01

The aim of this research was to produce nano silica by synthesis of nano silica through extraction and dissolution of ground olivine rock, and applied the nano silica in the design concrete mix. The producing process of amorphous silica used sulfuric acid as the dissolution reagent. The separation of ground olivine rock occurred when the rock was heated in a batch reactor containing sulfuric acid. The results showed that the optimum mole ratio of olivine- acid was 1: 8 wherein the weight ratio of the highest nano silica generated. The heating temperature and acid concentration influenced the mass of silica produced, that was at temperature of 90 °C and 3 M acid giving the highest yield of 44.90%. Characterization using Fourier Transform Infrared (FTIR ) concluded that amorphous silica at a wavenumber of 1089 cm-1 indicated the presence of siloxane, Si-O-Si, stretching bond. Characterization using Scanning Electron Microscope - Energy Dispersive Spectroscopy (SEM-EDS) showed the surface and the size of the silica particles. The average size of silica particles was between 1-10 μm due to the rapid aggregation of the growing particles of nano silica into microparticles, caused of the pH control was not fully achieved.

Hollow glass for insulating layers

NASA Astrophysics Data System (ADS)

Merticaru, Andreea R.; Moagar-Poladian, Gabriel

1999-03-01

Common porous materials, some of which will be considered in the chapters of this book, include concrete, paper, ceramics, clays, porous semiconductors, chromotography materials, and natural materials like coral, bone, sponges, rocks and shells. Porous materials can also be reactive, such as in charcoal gasification, acid rock dissolution, catalyst deactivation and concrete. This study continues the investigations about the properties of, so-called, hollow glass. In this paper is presented a computer simulation approach in which the thermo-mechanical behavior of a 3D microstructure is directly computed. In this paper a computer modeling approach of porous glass is presented. One way to test the accuracy of the reconstructed microstructures is to computed their physical properties and compare to experimental measurement on equivalent systems. In this view, we imagine a new type of porous type of glass designed as buffer layer in multilayered printed boards in ICs. Our glass is a variable material with a variable pore size and surface area. The porosity could be tailored early from the deposition phases that permitting us to keep in a reasonable balance the dielectric constant and thermal conductivity.

Does the dose-solubility ratio affect the mean dissolution time of drugs?

PubMed

Lánský, P; Weiss, M

1999-09-01

To present a new model for describing drug dissolution. On the basis of the new model to characterize the dissolution profile by the distribution function of the random dissolution time of a drug molecule, which generalizes the classical first order model. Instead of assuming a constant fractional dissolution rate, as in the classical model, it is considered that the fractional dissolution rate is a decreasing function of the dissolved amount controlled by the dose-solubility ratio. The differential equation derived from this assumption is solved and the distribution measures (half-dissolution time, mean dissolution time, relative dispersion of the dissolution time, dissolution time density, and fractional dissolution rate) are calculated. Finally, instead of monotonically decreasing the fractional dissolution rate, a generalization resulting in zero dissolution rate at time origin is introduced. The behavior of the model is divided into two regions defined by q, the ratio of the dose to the solubility level: q < 1 (complete dissolution of the dose, dissolution time) and q > 1 (saturation of the solution, saturation time). The singular case q = 1 is also treated and in this situation the mean as well as the relative dispersion of the dissolution time increase to infinity. The model was successfully fitted to data (1). This empirical model is descriptive without detailed physical reasoning behind its derivation. According to the model, the mean dissolution time is affected by the dose-solubility ratio. Although this prediction appears to be in accordance with preliminary application, further validation based on more suitable experimental data is required.

Contrasting diagenetic histories of concretions vs. host rocks, Lion Mountain Member, Riley formation (upper Cambrian), Texas

DOE Office of Scientific and Technical Information (OSTI.GOV)

McBride, E.F.

1988-02-01

White, elliptical, calcite-cemented concretion nuclei up to 1 m long contrast markedly in color, composition, and diagenetic history from more glauconite-rich concretion rinds and from dark-green glaucarenite host rocks. Concretion nuclei are loosely packed deposits of trilobite carapaces and minor quartz and glauconite that have intergranular volumes of 58%. The nuclei are shell-lag deposits that were cemented by calcite at the sea floor or after burial of a few meters. Concretion rinds, composed of subequal amounts of quartz and compactionally deformed glauconite, have an intergranular volume of only 32% and minor quartz overgrowths that preceded pore-occluding calcite cement. The rindsmore » underwent burial for several million years to tens of millions of years to depths of several hundred meters before they were cemented. The host rock is predominately glauconite with very minor quartz and calcite cement. Strontium isotopic ratios of host-rock calcite cement are variable (0.7084 to 0.7093), but the lowest value suggests precipitation during the Middle Ordovician. In the absence of significant amounts of carbonate cement, the host rock underwent complete dissolution of trilobite carapaces and maximum compaction with total loss of porosity through squashing of glauconite grains. Maximum burial during this stage was completed by the end of Ordovician time.« less

Environmental control on concretion-forming processes: Examples from Paleozoic terrigenous sediments of the North Gondwana margin, Armorican Massif (Middle Ordovician and Middle Devonian) and SW Sardinia (Late Ordovician)

NASA Astrophysics Data System (ADS)

Dabard, Marie-Pierre; Loi, Alfredo

2012-08-01

Concretions of various compositions are common in the Paleozoic terrigenous successions of the north Gondwana margin. This study focuses on phosphatic (P) and siliceous (Si) concretions present in some successions of the Armorican Massif (NW France) and SW Sardinia (W Italy). It shows that they consist of mudstones, fine- to very fine-grained sandstones or shellbeds with a more or less abundant P-cement and form a continuum between a phosphatic end-member and a siliceous biogenic end-member. The P2O5 contents are ranging from 0.26% to 21.5% and are related to apatite. The SiO2 contents vary from 25% to 82% and are linked both to a terrigenous phase and to a biogenic silica phase. Concretions showing the lower P-contents (P2O5 < 1.5%) are often enriched in biogenic silica (SiO2/Al2O3 > 5). Comparison with the surrounding sediments shows that all the concretions are enriched in chlorite and in Middle Rare Earth Elements (Las/Gds: 0.12-0.72) and some of them in Y (up to 974 ppm), Rare Earth Elements (more than 300 ppm) and Sr (260-880 ppm). The concretions with highest biogenic silica concentrations are contained in the outer shelf sediments whereas the other concretions are present from the proximal part of the inner shelf to the outer shelf. A genetic model in two stages is proposed. During early diagenesis, the dissolution of shells and degradation of organic matter progressively enrich the pore water in dissolved Si, Ca and P. When the suboxic zone is reached, P-precipitation begins, leading to the formation of protoconcretions. In shallow environments, the relative permeability of sediments and the winnowing or reworking of the upper few centimetres by bottom currents allow for suboxic conditions to be maintained, leading to P-rich concretion formation. In deeper environments, the anoxic zone is reached more rapidly, thereby preventing extensive phosphogenesis. Nevertheless in the protoconcretions the early P-cement preserves pore spaces from compaction. In the presence of biogenic siliceous particles, the fluids are enriched in dissolved silica and diffuse towards the protoconcretions. Silica precipitation can thus occur later in the intergranular spaces.

3D Sedimentological and geophysical studies of clastic reservoir analogs: Facies architecture, reservoir properties, and flow behavior within delta front facies elements of the Cretaceous Wall Creek Member, Frontier Formation, Wyoming

DOE Office of Scientific and Technical Information (OSTI.GOV)

Christopher D. White

2009-12-21

Significant volumes of oil and gas occur in reservoirs formed by ancient river deltas. This has implications for the spatial distribution of rock types and the variation of transport properties. A between mudstones and sandstones may form baffles that influence productivity and recovery efficiency. Diagenetic processes such as compaction, dissolution, and cementation can also alter flow properties. A better understanding of these properties and improved methods will allow improved reservoir development planning and increased recovery of oil and gas from deltaic reservoirs. Surface exposures of ancient deltaic rocks provide a high-resolution view of variability. Insights gleaned from these exposures canmore » be used to model analogous reservoirs, for which data is sparser. The Frontier Formation in central Wyoming provides an opportunity for high-resolution models. The same rocks exposed in the Tisdale anticline are productive in nearby oil fields. Kilometers of exposure are accessible, and bedding-plane exposures allow use of high-resolution ground-penetrating radar. This study combined geologic interpretations, maps, vertical sections, core data, and ground-penetrating radar to construct geostatistical and flow models. Strata-conforming grids were use to reproduce the observed geometries. A new Bayesian method integrates outcrop, core, and radar amplitude and phase data. The proposed method propagates measurement uncertainty and yields an ensemble of plausible models for calcite concretions. These concretions affect flow significantly. Models which integrate more have different flow responses from simpler models, as demonstrated an exhaustive two-dimensional reference image and in three dimensions. This method is simple to implement within widely available geostatistics packages. Significant volumes of oil and gas occur in reservoirs that are inferred to have been formed by ancient river deltas. This geologic setting has implications for the spatial distribution of rock types (\\Eg sandstones and mudstones) and the variation of transport properties (\\Eg permeability and porosity) within bodies of a particular rock type. Both basin-wide processes such as sea-level change and the autocyclicity of deltaic processes commonly cause deltaic reservoirs to have large variability in rock properties; in particular, alternations between mudstones and sandstones may form baffles and trends in rock body permeability can influence productivity and recovery efficiency. In addition, diagenetic processes such as compaction, dissolution, and cementation can alter the spatial pattern of flow properties. A better understanding of these properties, and improved methods to model the properties and their effects, will allow improved reservoir development planning and increased recovery of oil and gas from deltaic reservoirs. Surface exposures of ancient deltaic rocks provide a high resolution, low uncertainty view of subsurface variability. Patterns and insights gleaned from these exposures can be used to model analogous reservoirs, for which data is much sparser. This approach is particularly attractive when reservoir formations are exposed at the surface. The Frontier Formation in central Wyoming provides an opportunity for high resolution characterization. The same rocks exposed in the vicinity of the Tisdale anticline are productive in nearby oil fields, including Salt Creek. Many kilometers of good-quality exposure are accessible, and the common bedding-plane exposures allow use of shallow-penetration, high-resolution electromagnetic methods known as ground-penetrating radar. This study combined geologic interpretations, maps, vertical sections, core data, and ground-penetrating radar to construct high-resolution geostatistical and flow models for the Wall Creek Member of the Frontier Formation. Stratal-conforming grids were use to reproduce the progradational and aggradational geometries observed in outcrop and radar data. A new, Bayesian method integrates outcrop--derived statistics, core observations of concretions, and radar amplitude and phase data. The proposed method consistently propagates measurement uncertainty through the model-building process, and yields an ensemble of plausible models for diagenetic calcite concretions. These concretions have a statistically significant on flow. Furthermore, neither geostatistical data from the outcrops nor geophysical data from radar is sufficient: models which integrate these data have significantly different flow responses. This was demonstrated both for an exhaustive two-dimensional reference image and in three dimensions, using flow simulations. This project wholly supported one PhD student and part of the education of an additional MS and PhD student. It helped to sponsor 6 refereed articles and 8 conference or similar presentations.« less

Hydrothermal Synthesis of Hematite-Rich Spherules: Implications for Diagenesis and Hematite Spherule Formation in Outcrops at Meridiani Planum, Mars

NASA Technical Reports Server (NTRS)

Golden, D. C.; Ming, D. W.; Morris, R. V.; Graff, T. G.

2007-01-01

The Athena science payload onboard the Opportunity rover identified hematite-rich spherules (mean diameter of 4.2 +/- 0.8 mm) embedded in outcrops and occurring as lag deposits at Meridiani Planum. They have formed as diagenetic concretions from the rapid breakdown of pre-existing jarosite and other iron sulfates when chemically distinct groundwater passed through the sediments. Diagenetic, Fe-cemented concretions found in the Jurassic Navajo Formation, Utah and hematite-rich spherules found within sulfate-rich volcanic breccia on Mauna Kea volcano, Hawaii are possible terrestrial analogues for Meridiani spherules. The Navajo Formation concretions form in porous quartz arenite from the dissolution of iron oxides by reducing fluids and subsequent Fe precipitation to form spherical Fe- and Si-rich concretions. The Mauna Kea spherules form by hydrothermal, acid-sulfate alteration of basaltic tephra. The formation of hematite-rich spherules with similar chemical, mineralogical, and morphological properties to the Meridiani spherules is rare on Earth, so little is known about their formation conditions. In this study, we have synthesized in the laboratory hematite-rich spherules that are analogous in nearly all respects to the Meridiani spherules.

X-ray photoelectron spectroscopy and electrochemical studies of mild steel FeE500 passivation in concrete simulated water

NASA Astrophysics Data System (ADS)

Miserque, F.; Huet, B.; Azou, G.; Bendjaballah, D.; L'Hostis, V.

2006-11-01

In the context of the prediction of the long-term behaviour of reinforced concrete structures involved in the nuclear waste storage, the corrosion mechanisms of steels have to be assessed. When mild steel rebars are embedded in concrete, the chemical environment of the reinforcement is progressively modified, due to the carbonation of the concrete matrix. This modification leads to the variation of iron oxides properties formed at the steel/concrete interface, and the active corrosion can be initiated. The aim of this study is to evaluate the passivation behaviour and to provide insights into the depassivation of mild steel in concrete pore solution. In a young concrete, due to the alkalinity of the interstitial solution, steel reinforcement remains passive. Immersion tests of mild steel substrate in various alkaline solutions (from pH 13 to 10) have been performed. Due to the low thickness of the corrosion layers formed, X-ray photoelectron spectroscopy has been used to characterize them. In the passive domain, the corrosion products are similar for the various solutions. The corrosion layer is composed of a mixture of Fe3+ and Fe2+. A similar approach is used to determine the depassivation mechanism. The effect of various components such as carbonates, sulfates and silicates resulting from the dissolution of minerals of cement during the carbonation process is investigated. In addition to the surface analysis, the evolution of the electrochemical behaviour as function of the solution nature (pH) is evaluated with the help of electrochemical measurements (free corrosion potential, cyclic voltamperometry).

CO2 Extraction from Ambient Air Using Alkali-Metal Hydroxide Solutions Derived from Concrete Waste and Steel Slag

NASA Astrophysics Data System (ADS)

Stolaroff, J. K.; Lowry, G. V.; Keith, D. W.

2003-12-01

To mitigate global climate change, deep reductions in CO2 emissions are required in the coming decades. Carbon sequestration will play a crucial role in this reduction. Early adoption of carbon sequestration in low-cost niche markets will help develop the technology and experience required for large-scale deployment. One such niche may be the use of alkali metals from industrial waste streams to form carbonate minerals, a safe and stable means of sequestering carbon. In this research, the potential of using two industrial waste streams---concrete and steel slag---for sequestering carbon is assessed. The scheme is outlined as follows: Ca and Mg are leached with water from a finely ground bed of steel slag or concrete. The resulting solution is sprayed through air, capturing CO2 and forming solid carbonates, and collected. The feasibility of this scheme is explored with a combination of experiments, theoretical calculations, cost accounting, and literature review. The dissolution kinetics of steel slag and concrete as a function of particle size and pH is examined. In stirred batch reactors, the majority of Ca which dissolved did so within the first hour, yielding between 50 and 250 (mg; Ca)/(g; slag) and between 10 and 30 (mg; Ca)/(g; concrete). The kinetics of dissolution are thus taken to be sufficiently fast to support the type of scheme described above. As proof-of-concept, further experiments were performed where water was dripped slowly through a stagnant column of slag or concrete and collected at the bottom. Leachate Ca concentrations in the range of 15 mM were achieved --- sufficient to support the scheme. Using basic physical principles and numerical methods, the quantity of CO2 captured by falling droplets is estimated. Proportion of water loss and required pumping energy is similarly estimated. The results indicate that sprays are capable of capturing CO2 from the air and that the water and energy requirements are tractable. An example system for enacting the scheme is presented, along with capital and operational cost estimates. The system is found to be profitable for carbon credits above \\5/ton; C. Many findings in this research apply to a more general set of systems which capture CO_2$ from the air for sequestration. The metal-hydroxide solution in these systems is regenerated on site, allowing application of this scheme on as large a scale as needed. Implications of this study's findings for these more general carbon-capture systems is discussed.

Comparison and analysis of theoretical models for diffusion-controlled dissolution.

PubMed

Wang, Yanxing; Abrahamsson, Bertil; Lindfors, Lennart; Brasseur, James G

2012-05-07

Dissolution models require, at their core, an accurate diffusion model. The accuracy of the model for diffusion-dominated dissolution is particularly important with the trend toward micro- and nanoscale drug particles. Often such models are based on the concept of a "diffusion layer." Here a framework is developed for diffusion-dominated dissolution models, and we discuss the inadequacy of classical models that are based on an unphysical constant diffusion layer thickness assumption, or do not correctly modify dissolution rate due to "confinement effects": (1) the increase in bulk concentration from confinement of the dissolution process, (2) the modification of the flux model (the Sherwood number) by confinement. We derive the exact mathematical solution for a spherical particle in a confined fluid with impermeable boundaries. Using this solution, we analyze the accuracy of a time-dependent "infinite domain model" (IDM) and "quasi steady-state model" (QSM), both formally derived for infinite domains but which can be applied in approximate fashion to confined dissolution with proper adjustment of a concentration parameter. We show that dissolution rate is sensitive to the degree of confinement or, equivalently, to the total concentration C(tot). The most practical model, the QSM, is shown to be very accurate for most applications and, consequently, can be used with confidence in design-level dissolution models so long as confinement is accurately treated. The QSM predicts the ratio of diffusion layer thickness to particle radius (the Sherwood number) as a constant plus a correction that depends on the degree of confinement. The QSM also predicts that the time required for complete saturation or dissolution in diffusion-controlled dissolution experiments is singular (i.e., infinite) when total concentration equals the solubility. Using the QSM, we show that measured differences in dissolution rate in a diffusion-controlled dissolution experiment are a result of differences in the degree of confinement on the increase in bulk concentration independent of container geometry and polydisperse vs single particle dissolution. We conclude that the constant diffusion-layer thickness assumption is incorrect in principle and should be replaced by the QSM with accurate treatment of confinement in models of diffusion-controlled dissolution.

Justification of Drug Product Dissolution Rate and Drug Substance Particle Size Specifications Based on Absorption PBPK Modeling for Lesinurad Immediate Release Tablets.

PubMed

Pepin, Xavier J H; Flanagan, Talia R; Holt, David J; Eidelman, Anna; Treacy, Don; Rowlings, Colin E

2016-09-06

In silico absorption modeling has been performed, to assess the impact of in vitro dissolution on in vivo performance for ZURAMPIC (lesinurad) tablets. The dissolution profiles of lesinurad tablets generated using the quality control method were used as an input to a GastroPlus model to estimate in vivo dissolution in the various parts of the GI tract and predict human exposure. A model was set up, which accounts for differences of dosage form transit, dissolution, local pH in the GI tract, and fluid volumes available for dissolution. The predictive ability of the model was demonstrated by confirming that it can reproduce the Cmax observed for independent clinical trial. The model also indicated that drug product batches that pass the proposed dissolution specification of Q = 80% in 30 min are anticipated to be bioequivalent to the clinical reference batch. To further explore the dissolution space, additional simulations were performed using a theoretical dissolution profile below the proposed specification. The GastroPlus modeling indicates that such a batch will also be bioequivalent to standard clinical batches despite having a dissolution profile, which would fail the proposed dissolution specification of Q = 80% in 30 min. This demonstrates that the proposed dissolution specification sits comfortably within a region of dissolution performance where bioequivalence is anticipated and is not near an edge of failure for dissolution, providing additional confidence to the proposed specifications. Finally, simulations were performed using a virtual drug substance batch with a particle size distribution at the limit of the proposed specification for particle size. Based on these simulations, such a batch is also anticipated to be bioequivalent to clinical reference, demonstrating that the proposed specification limits for particle size distribution would give products bioequivalent to the pivotal clinical batches.

Evolution of a mini-scale biphasic dissolution model: Impact of model parameters on partitioning of dissolved API and modelling of in vivo-relevant kinetics.

PubMed

Locher, Kathrin; Borghardt, Jens M; Frank, Kerstin J; Kloft, Charlotte; Wagner, Karl G

2016-08-01

Biphasic dissolution models are proposed to have good predictive power for the in vivo absorption. The aim of this study was to improve our previously introduced mini-scale dissolution model to mimic in vivo situations more realistically and to increase the robustness of the experimental model. Six dissolved APIs (BCS II) were tested applying the improved mini-scale biphasic dissolution model (miBIdi-pH-II). The influence of experimental model parameters including various excipients, API concentrations, dual paddle and its rotation speed was investigated. The kinetics in the biphasic model was described applying a one- and four-compartment pharmacokinetic (PK) model. The improved biphasic dissolution model was robust related to differing APIs and excipient concentrations. The dual paddle guaranteed homogenous mixing in both phases; the optimal rotation speed was 25 and 75rpm for the aqueous and the octanol phase, respectively. A one-compartment PK model adequately characterised the data of fully dissolved APIs. A four-compartment PK model best quantified dissolution, precipitation, and partitioning also of undissolved amounts due to realistic pH profiles. The improved dissolution model is a powerful tool for investigating the interplay between dissolution, precipitation and partitioning of various poorly soluble APIs (BCS II). In vivo-relevant PK parameters could be estimated applying respective PK models. Copyright © 2016 Elsevier B.V. All rights reserved.

Theoretical and Numerical Investigation of the Cavity Evolution in Gypsum Rock

NASA Astrophysics Data System (ADS)

Li, Wei; Einstein, Herbert H.

2017-11-01

When water flows through a preexisting cylindrical tube in gypsum rock, the nonuniform dissolution alters the tube into an enlarged tapered tube. A 2-D analytical model is developed to study the transport-controlled dissolution in an enlarged tapered tube, with explicit consideration of the tapered geometry and induced radial flow. The analytical model shows that the Graetz solution can be extended to model dissolution in the tapered tube. An alternative form of the governing equations is proposed to take advantage of the invariant quantities in the Graetz solution to facilitate modeling cavity evolution in gypsum rock. A 2-D finite volume model was developed to validate the extended Graetz solution. The time evolution of the transport-controlled and the reaction-controlled dissolution models for a single tube with time-invariant flow rate are compared. This comparison shows that for time-invariant flow rate, the reaction-controlled dissolution model produces a positive feedback between the tube enlargement and dissolution, while the transport-controlled dissolution does not.

A reaction limited in vivo dissolution model for the study of drug absorption: Towards a new paradigm for the biopharmaceutic classification of drugs.

PubMed

Macheras, Panos; Iliadis, Athanassios; Melagraki, Georgia

2018-05-30

The aim of this work is to develop a gastrointestinal (GI) drug absorption model based on a reaction limited model of dissolution and consider its impact on the biopharmaceutic classification of drugs. Estimates for the fraction of dose absorbed as a function of dose, solubility, reaction/dissolution rate constant and the stoichiometry of drug-GI fluids reaction/dissolution were derived by numerical solution of the model equations. The undissolved drug dose and the reaction/dissolution rate constant drive the dissolution rate and determine the extent of absorption when high-constant drug permeability throughout the gastrointestinal tract is assumed. Dose is an important element of drug-GI fluids reaction/dissolution while solubility exclusively acts as an upper limit for drug concentrations in the lumen. The 3D plots of fraction of dose absorbed as a function of dose and reaction/dissolution rate constant for highly soluble and low soluble drugs for different "stoichiometries" (0.7, 1.0, 2.0) of the drug-reaction/dissolution with the GI fluids revealed that high extent of absorption was found assuming high drug- reaction/dissolution rate constant and high drug solubility. The model equations were used to simulate in vivo supersaturation and precipitation phenomena. The model developed provides the theoretical basis for the interpretation of the extent of drug's absorption on the basis of the parameters associated with the drug-GI fluids reaction/dissolution. A new paradigm emerges for the biopharmaceutic classification of drugs, namely, a model independent biopharmaceutic classification scheme of four drug categories based on either the fulfillment or not of the current dissolution criteria and the high or low % drug metabolism. Copyright © 2018. Published by Elsevier B.V.

Pavement Subsidence in the Cumberland Gap Tunnel, USA: A Story of Groundwater Chemistry

NASA Astrophysics Data System (ADS)

Zhu, J.; Currens, J. C.; Webb, S. E.; Rister, B. W.

2014-12-01

Cumberland Gap Tunnel was constructed in 1996 to improve highway travel between southeastern Kentucky and northeastern Tennessee and to restore Cumberland Gap to its historical appearance. About five years after construction, the concrete pavement in the tunnel began to exhibit noticeable signs of subsidence. Ground penetrating radar surveys detected voids in many areas of the limestone roadbed aggregate beneath the pavement. Field investigations conducted by the Kentucky Geological Survey and Kentucky Transportation Center from 2006 to 2008 discovered that groundwater was flowing from the bedrock invert into the aggregate along many parts of the tunnel. Average groundwater discharge from the tunnel was measured at approximately 1700 m3/d. We analyzed 265 groundwater samples collected from aggregate in different parts of the tunnel roadbed during low and high flow conditions. Calculated calcite saturation indices indicated that the groundwater was geochemically aggressive and capable of continuously dissolving calcite in the limestone aggregate although pH values of these water samples were near neutral. We also conducted an in-situ dissolution experiment by placing eight baskets filled with limestone aggregate beneath the roadbed in different locations in the tunnel for 178 days. At the end of the experiment, the limestone aggregate in contact with groundwater exhibited visual signs of dissolution and lost mass, and the highest mass loss recorded was 3.4 percent. Mass loss calculations based on kinetic models of calcite mineral and water samples taken near the baskets matched well with the actual measured mass losses, confirming that dissolution of calcite by the groundwater was the primary cause of the roadbed subsidence problem. Based on these findings, we suggested the limestone aggregate be replaced with noncarbonate (granite) aggregate to mitigate future road subsidence. The suggestion was adopted, and the repair was completed in early 2014.

General solution for diffusion-controlled dissolution of spherical particles. 1. Theory.

PubMed

Wang, J; Flanagan, D R

1999-07-01

Three classical particle dissolution rate expressions are commonly used to interpret particle dissolution rate phenomena. Our analysis shows that an assumption used in the derivation of the traditional cube-root law may not be accurate under all conditions for diffusion-controlled particle dissolution. Mathematical analysis shows that the three classical particle dissolution rate expressions are approximate solutions to a general diffusion layer model. The cube-root law is most appropriate when particle size is much larger than the diffusion layer thickness, the two-thirds-root expression applies when the particle size is much smaller than the diffusion layer thickness. The square-root expression is intermediate between these two models. A general solution to the diffusion layer model for monodispersed spherical particles dissolution was derived for sink and nonsink conditions. Constant diffusion layer thickness was assumed in the derivation. Simulated dissolution data showed that the ratio between particle size and diffusion layer thickness (a0/h) is an important factor in controlling the shape of particle dissolution profiles. A new semiempirical general particle dissolution equation is also discussed which encompasses the three classical particle dissolution expressions. The success of the general equation in explaining limitations of traditional particle dissolution expressions demonstrates the usefulness of the general diffusion layer model.

Development of a mathematical model for the dissolution of uranium dioxide. II. Statistical model for the dissolution of uranium dioxide tablets in nitric acid

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zhukovskii, Yu.M.; Luksha, O.P.; Nenarokomov, E.A.

1988-03-01

We have derived a statistical model for the dissolution of uranium dioxide tablets for the 6 to 12 M concentration range and temperatures from 80/sup 0/C to the boiling point. The model differs qualitatively from the dissolution model for ground uranium dioxide. In the indicated range of experimental conditions, the mean-square deviation of the curves for the model from the experimental curves is not greater than 6%.

Dissolution mechanism of calcium apatites in acids: A review of literature

PubMed Central

Dorozhkin, Sergey V

2012-01-01

Eight dissolution models of calcium apatites (both fluorapatite and hydroxyapatite) in acids were drawn from the published literature, analyzed and discussed. Major limitations and drawbacks of the models were conversed in details. The models were shown to deal with different aspects of apatite dissolution phenomenon and none of them was able to describe the dissolution process in general. Therefore, an attempt to combine the findings obtained by different researchers was performed which resulted in creation of the general description of apatite dissolution in acids. For this purpose, eight dissolution models were assumed to complement each other and provide the correct description of the specific aspects of apatite dissolution. The general description considers all possible dissolution stages involved and points out to some missing and unclear phenomena to be experimentally studied and verified in future. This creates a new methodological approach to investigate reaction mechanisms based on sets of affine data, obtained by various research groups under dissimilar experimental conditions. PMID:25237611

The long-term dissolution characteristics of a residually trapped BTX mixture in soil

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rixey, W.G.

1996-12-31

A mass transfer limited model is presented to describe the long-term dissolution of organic compounds from a benzene, toluene, and xylenes (BTX) mixture residually trapped in a sandy soil. The model is an extension of a previously presented equilibrium dissolution model which takes into consideration mass transfer limitations that develop later in the leaching process and is similar to that presented by Borden and Kao for modeling BTX dissolution from residually trapped gasoline. The residual nonaqueous phase liquid (NAPL) is divided into multiple regions: one region which undergoes equilibrium dissolution and additional regions in which mass transfer is progressively limited.more » Application of the model to BTX column effluent data indicates that the initial dissolution (exponential decay region) of BTX can be effectively described by equilibrium dissolution. When applied to later dissolution times (Asymptotic region) a multiple-region model is required to rationalize the data for all three components. This explanation of the observed tailing in leaching experiments form residually trapped hydrocarbons if offered as an alternative to the explanation of tailing due to rate-limited desorption from soils. 16 refs., 5 figs., 2 tabs.« less

Developing a quality by design approach to model tablet dissolution testing: an industrial case study.

PubMed

Yekpe, Ketsia; Abatzoglou, Nicolas; Bataille, Bernard; Gosselin, Ryan; Sharkawi, Tahmer; Simard, Jean-Sébastien; Cournoyer, Antoine

2018-07-01

This study applied the concept of Quality by Design (QbD) to tablet dissolution. Its goal was to propose a quality control strategy to model dissolution testing of solid oral dose products according to International Conference on Harmonization guidelines. The methodology involved the following three steps: (1) a risk analysis to identify the material- and process-related parameters impacting the critical quality attributes of dissolution testing, (2) an experimental design to evaluate the influence of design factors (attributes and parameters selected by risk analysis) on dissolution testing, and (3) an investigation of the relationship between design factors and dissolution profiles. Results show that (a) in the case studied, the two parameters impacting dissolution kinetics are active pharmaceutical ingredient particle size distributions and tablet hardness and (b) these two parameters could be monitored with PAT tools to predict dissolution profiles. Moreover, based on the results obtained, modeling dissolution is possible. The practicality and effectiveness of the QbD approach were demonstrated through this industrial case study. Implementing such an approach systematically in industrial pharmaceutical production would reduce the need for tablet dissolution testing.

Dissolution Kinetics of Spheroidal-Shaped Precipitates in Age-Hardenable Aluminum Alloys

NASA Astrophysics Data System (ADS)

Anjabin, Nozar; Salehi, Majid Seyed

2018-05-01

As a first attempt, a mathematical model is proposed to predict the dissolution kinetics of non-spherical secondary phase precipitates during solution heat treatment of age-hardenable aluminum alloys. The model uses general spheroidal geometry to describe the dissolution process of the alloys containing needle/disc-shaped particles with different size distributions in a finite matrix. It is found that as the aspect ratio deviates from unity, the dissolution rate is accelerated. Also, the dissolution rate of the particles in the alloy containing the particle size distribution is lower than that of mono-sized particles system. The modeling results for dissolution of θ' precipitates in an Al-Cu alloy are compared with experiments, and a good agreement was found between the modeling and the experimental results. The proposed model can be applied to different isothermal and non-isothermal annealing conditions.

Dissolution of covalent adaptable network polymers in organic solvent

NASA Astrophysics Data System (ADS)

Yu, Kai; Yang, Hua; Dao, Binh H.; Shi, Qian; Yakacki, Christopher M.

2017-12-01

It was recently reported that thermosetting polymers can be fully dissolved in a proper organic solvent utilizing a bond-exchange reaction (BER), where small molecules diffuse into the polymer, break the long polymer chains into short segments, and eventually dissolve the network when sufficient solvent is provided. The solvent-assisted dissolution approach was applied to fully recycle thermosets and their fiber composites. This paper presents the first multi-scale modeling framework to predict the dissolution kinetics and mechanics of thermosets in organic solvent. The model connects the micro-scale network dynamics with macro-scale material properties: in the micro-scale, a model is developed based on the kinetics of BERs to describe the cleavage rate of polymer chains and evolution of chain segment length during the dissolution. The micro-scale model is then fed into a continuum-level model with considerations of the transportation of solvent molecules and chain segments in the system. The model shows good prediction on conversion rate of functional groups, degradation of network mechanical properties, and dissolution rate of thermosets during the dissolution. It identifies the underlying kinetic factors governing the dissolution process, and reveals the influence of different material and processing variables on the dissolution process, such as time, temperature, catalyst concentration, and chain length between cross-links.

Modeling spray/puddle dissolution processes for deep-ultraviolet acid-hardened resists

NASA Astrophysics Data System (ADS)

Hutchinson, John M.; Das, Siddhartha; Qian, Qi-De; Gaw, Henry T.

1993-10-01

A study of the dissolution behavior of acid-hardened resists (AHR) was undertaken for spray and spray/puddle development processes. The Site Services DSM-100 end-point detection system is used to measure both spray and puddle dissolution data for a commercially available deep-ultraviolet AHR resist, Shipley SNR-248. The DSM allows in situ measurement of dissolution rate on the wafer chuck and hence allows parameter extraction for modeling spray and puddle processes. The dissolution data for spray and puddle processes was collected across a range of exposure dose and postexposure bake temperature. The development recipe was varied to decouple the contribution of the spray and puddle modes to the overall dissolution characteristics. The mechanisms involved in spray versus puddle dissolution and the impact of spray versus puddle dissolution on process performance metrics has been investigated. We used the effective-dose-modeling approach and the measurement capability of the DSM-100 and developed a lumped parameter model for acid-hardened resists that incorporates the effects of exposure, postexposure bake temperature and time, and development condition. The PARMEX photoresist-modeling program is used to determine parameters for the spray and for the puddle process. The lumped parameter AHR model developed showed good agreement with experimental data.

Penetration analysis of projectile with inclined concrete target

NASA Astrophysics Data System (ADS)

Kim, S. B.; Kim, H. W.; Yoo, Y. H.

2015-09-01

This paper presents numerical analysis result of projectile penetration with concrete target. We applied dynamic material properties of 4340 steels, aluminium and explosive for projectile body. Dynamic material properties were measured with static tensile testing machine and Hopkinson pressure bar tests. Moreover, we used three concrete damage models included in LS-DYNA 3D, such as SOIL_CONCRETE, CSCM (cap model with smooth interaction) and CONCRETE_DAMAGE (K&C concrete) models. Strain rate effect for concrete material is important to predict the fracture deformation and shape of concrete, and penetration depth for projectiles. CONCRETE_DAMAGE model with strain rate effect also applied to penetration analysis. Analysis result with CSCM model shows good agreement with penetration experimental data. The projectile trace and fracture shapes of concrete target were compared with experimental data.

Estimating the time for dissolution of spent fuel exposed to unlimited water

DOE Office of Scientific and Technical Information (OSTI.GOV)

Leider, H.R.; Nguyen, S.N.; Stout, R.B.

1991-12-01

The release of radionuclides from spent fuel cannot be precisely predicted at this point because a satisfactory dissolution model based on specific chemical processes is not yet available. However, preliminary results on the dissolution rate of UO{sub 2} and spent fuel as a function of temperature and water composition have recently been reported. This information, together with data on fragment size distribution of spent fuel, are used to estimate the dissolution response of spent fuel in excess flowing water within the framework of a simple model. In this model, the reaction/dissolution front advances linearly with time and geometry is preserved.more » This also estimates the dissolution rate of the bulk of the fission products and higher actinides, which are uniformly distributed in the UO{sub 2} matrix and are presumed to dissolve congruently. We have used a fuel fragment distribution actually observed to calculate the time for total dissolution of spent fuel. A worst-case estimate was also made using the initial (maximum) rate of dissolution to predict the total dissolution time. The time for total dissolution of centimeter size particles is estimated to be 5.5 {times} 10{sup 4} years at 25{degrees}C.« less

Model of dissolution in the framework of tissue engineering and drug delivery.

PubMed

Sanz-Herrera, J A; Soria, L; Reina-Romo, E; Torres, Y; Boccaccini, A R

2018-05-22

Dissolution phenomena are ubiquitously present in biomaterials in many different fields. Despite the advantages of simulation-based design of biomaterials in medical applications, additional efforts are needed to derive reliable models which describe the process of dissolution. A phenomenologically based model, available for simulation of dissolution in biomaterials, is introduced in this paper. The model turns into a set of reaction-diffusion equations implemented in a finite element numerical framework. First, a parametric analysis is conducted in order to explore the role of model parameters on the overall dissolution process. Then, the model is calibrated and validated versus a straightforward but rigorous experimental setup. Results show that the mathematical model macroscopically reproduces the main physicochemical phenomena that take place in the tests, corroborating its usefulness for design of biomaterials in the tissue engineering and drug delivery research areas.

Biorelevant Dissolution Models for a Weak Base To Facilitate Formulation Development and Overcome Reduced Bioavailability Caused by Hypochlordyria or Achlorhydria.

PubMed

Kou, Dawen; Dwaraknath, Sudharsan; Fischer, Yannick; Nguyen, Daniel; Kim, Myeonghui; Yiu, Hiuwing; Patel, Preeti; Ng, Tania; Mao, Chen; Durk, Matthew; Chinn, Leslie; Winter, Helen; Wigman, Larry; Yehl, Peter

2017-10-02

In this study, two dissolution models were developed to achieve in vitro-in vivo relationship for immediate release formulations of Compound-A, a poorly soluble weak base with pH-dependent solubility and low bioavailability in hypochlorhydric and achlorhydric patients. The dissolution models were designed to approximate the hypo-/achlorhydric and normal fasted stomach conditions after a glass of water was ingested with the drug. The dissolution data from the two models were predictive of the relative in vivo bioavailability of various formulations under the same gastric condition, hypo-/achlorhydric or normal. Furthermore, the dissolution data were able to estimate the relative performance under hypo-/achlorhydric and normal fasted conditions for the same formulation. Together, these biorelevant dissolution models facilitated formulation development for Compound-A by identifying the right type and amount of key excipient to enhance bioavailability and mitigate the negative effect of hypo-/achlorhydria due to drug-drug interaction with acid-reducing agents. The dissolution models use readily available USP apparatus 2, and their broader utility can be evaluated on other BCS 2B compounds with reduced bioavailability caused by hypo-/achlorhydria.

An empirical model for dissolution profile and its application to floating dosage forms.

PubMed

Weiss, Michael; Kriangkrai, Worawut; Sungthongjeen, Srisagul

2014-06-02

A sum of two inverse Gaussian functions is proposed as a highly flexible empirical model for fitting of in vitro dissolution profiles. The model was applied to quantitatively describe theophylline release from effervescent multi-layer coated floating tablets containing different amounts of the anti-tacking agents talc or glyceryl monostearate. Model parameters were estimated by nonlinear regression (mixed-effects modeling). The estimated parameters were used to determine the mean dissolution time, as well as to reconstruct the time course of release rate for each formulation, whereby the fractional release rate can serve as a diagnostic tool for classification of dissolution processes. The approach allows quantification of dissolution behavior and could provide additional insights into the underlying processes. Copyright © 2014 Elsevier B.V. All rights reserved.

A novel determination of calcite dissolution kinetics in seawater

NASA Astrophysics Data System (ADS)

Subhas, Adam V.; Rollins, Nick E.; Berelson, William M.; Dong, Sijia; Erez, Jonathan; Adkins, Jess F.

2015-12-01

We present a novel determination of the dissolution kinetics of inorganic calcite in seawater. We dissolved 13 C -labeled calcite in unlabeled seawater, and traced the evolving δ13 C composition of the fluid over time to establish dissolution rates. This method provides sensitive determinations of dissolution rate, which we couple with tight constraints on both seawater saturation state and surface area of the dissolving minerals. We have determined dissolution rates for two different abiotic calcite materials and three different grain sizes. Near-equilibrium dissolution rates are highly nonlinear, and are well normalized by geometric surface area, giving an empirical dissolution rate dependence on saturation state (Ω) of: This result substantiates the non-linear response of calcite dissolution to undersaturation. The bulk dissolution rate constant calculated here is in excellent agreement with those determined in far from equilibrium and dilute solution experiments. Plots of dissolution versus undersaturation indicates the presence of at least two dissolution mechanisms, implying a criticality in the calcite-seawater system. Finally, our new rate determination has implications for modeling of pelagic and seafloor dissolution. Nonlinear dissolution kinetics in a simple 1-D lysocline model indicate a possible transition from kinetic to diffusive control with increasing water depth, and also confirm the importance of respiration-driven dissolution in setting the shape of the calcite lysocline.

Modelling and shadowgraph imaging of cocrystal dissolution and assessment of in vitro antimicrobial activity for sulfadimidine/4-aminosalicylic acid cocrystals.

PubMed

Serrano, Dolores R; Persoons, Tim; D'Arcy, Deirdre M; Galiana, Carolina; Dea-Ayuela, Maria Auxiliadora; Healy, Anne Marie

2016-06-30

The aim of this work was to evaluate the influence of crystal habit on the dissolution and in vitro antibacterial and anitiprotozoal activity of sulfadimidine:4-aminosalicylic acid cocrystals. Cocrystals were produced via milling or solvent mediated processes. In vitro dissolution was carried out in the flow-through apparatus, with shadowgraph imaging and mechanistic mathematical models used to observe and simulate particle dissolution. In vitro activity was tested using agar diffusion assays. Cocrystallisation via milling produced small polyhedral crystals with antimicrobial activity significantly higher than sulfadimidine alone, consistent with a fast dissolution rate which was matched only by cocrystals which were milled following solvent evaporation. Cocrystallisation by solvent evaporation (ethanol, acetone) or spray drying produced flattened, plate-like or quasi-spherical cocrystals, respectively, with more hydrophobic surfaces and greater tendency to form aggregates in aqueous media, limiting both the dissolution rate and in vitro activity. Deviation from predicted dissolution profiles was attributable to aggregation behaviour, supported by observations from shadowgraph imaging. Aggregation behaviour during dissolution of cocrystals with different habits affected the dissolution rate, consistent with in vitro activity. Combining mechanistic models with shadowgraph imaging is a valuable approach for dissolution process analysis. Copyright © 2016 Elsevier B.V. All rights reserved.

[Dissolution behavior of Fuzi Lizhong pill based on simultaneous determination of two components in Glycyrrhizae Radix et Rhizoma].

PubMed

Jiang, Mao-Yuan; Zhang, Zhen; Shi, Jin-Feng; Zhang, Jin-Ming; Fu, Chao-Mei; Lin, Xia; Liu, Yu-Mei

2018-03-01

To preliminarily investigate the dissolution behavior of Fuzi Lizhong pill, provide the basis for its quality control and lay foundation for in vivo dissolution behavior by determining the dissolution rate of liquiritin and glycyrrhizic acid. High-performance liquid chromatography (HPLC) method for simultaneous content determination of the two active ingredients of liquiritin and glycyrrhizic acid in Fuzi Lizhong pill was established; The dissolution amount of these two active ingredients in fifteen batches of Fuzi Lizhong pill from five manufacturers was obtained at different time points, and then the cumulative dissolution rate was calculated and cumulative dissolution curve was drawn. The similarity of cumulative dissolution curve of different batches was evaluated based on the same factory, and the similarity of cumulative dissolution curve of different factories was evaluated based on the same active ingredients. The dissolution model of Fuzi Lizhong pill based on two kinds of active ingredients was established by fitting with the dissolution data. The best dissolution medium was 0.25% sodium lauryl sulfate. The dissolution behavior of liquiritin and glycyrrhizic acid in Fuzi Lizhong pill was basically the same and sustained release in 48 h. Three batches of the factories (factory 2, factory 3, factory 4 and factory 5) appeared to be similar in dissolution behavior, indicating similarity in dissolution behavior in most factories. Two of the three batches from factory 1 appeared to be not similar in dissolution behavior of liquiritin and glycyrrhizic acid. The dissolution data of the effective ingredients from different factories were same in fitting, and Weibull model was the best model in these batches. Fuzi Lizhong pill in 15 batches from 5 factories showed sustained release in 48 h, proving obviously slow releasing characteristics "pill is lenitive and keeps a long-time efficacy". The generally good dissolution behavior also suggested that quality of different batches from most factories was stable. The dissolution behavior of liquiritin and glycyrrhizic acid in different factories was different, suggesting that the source of medicinal materials and preparation technology parameters in five factories were different. Copyright© by the Chinese Pharmaceutical Association.

Development of a Physiologically Relevant Population Pharmacokinetic in Vitro-in Vivo Correlation Approach for Designing Extended-Release Oral Dosage Formulation.

PubMed

Kim, Tae Hwan; Shin, Soyoung; Bulitta, Jürgen B; Youn, Yu Seok; Yoo, Sun Dong; Shin, Beom Soo

2017-01-03

Establishing a level A in vitro-in vivo correlation (IVIVC) for a drug with complex absorption kinetics is challenging. The objective of the present study was to develop an IVIVC approach based on population pharmacokinetic (POP-PK) modeling that incorporated physiologically relevant absorption kinetics. To prepare three extended release (ER) tablets of loxoprofen, three types of hydroxypropyl methylcellulose (HPMC 100, 4000, and 15000 cps) were used as drug release modifiers, while lactose and magnesium stearate were used as the diluent and lubricant, respectively. An in vitro dissolution test in various pH conditions showed that loxoprofen dissolution was faster at higher pH. The in vivo pharmacokinetics of loxoprofen was assessed following oral administration of the different loxoprofen formulations to Beagle dogs (n = 22 in total). Secondary peaks or shoulders were observed in many of the individual plasma concentration vs time profiles after ER tablet administration, which may result from secondary absorption in the intestine due to a dissolution rate increase under intestinal pH compared to that observed at stomach pH. In addition, in vivo oral bioavailability was found to decrease with prolonged drug dissolution, indicating site-specific absorption. Based on the in vitro dissolution and in vivo absorption data, a POP-PK IVIVC model was developed using S-ADAPT software. pH-dependent biphasic dissolution kinetics, described using modified Michaelis-Menten kinetics with varying V max , and site-specific absorption, modeled using a changeable absorbed fraction parameter, were applied to the POP-PK IVIVC model. To experimentally determine the biphasic dissolution profiles of the ER tablets, another in vitro dissolution test was conducted by switching dissolution medium pH based on an in vivo estimate of gastric emptying time. The model estimated, using linear regression, that in vivo initial maximum dissolution rate (V max (0) in vivo ) was highly correlated (r 2 > 0.998) with in vitro (V max (0) in vitro ), indicating that in vivo dissolution profiles obtained from POP-PK modeling could be converted to in vitro dissolution profiles and vice versa. Monte Carlo simulations were performed for model validation, and prediction errors for C max and AUC were all within the acceptable range (90 to 110%) according to the FDA guidelines. The developed model was successfully applied for the prediction of in vivo pharmacokinetics of a loxoprofen double-layered tablet using the in vitro dissolution profile. In conclusion, a level A IVIVC approach was developed and validated using population modeling that accounted for pH-dependent dissolution and site-specific absorption. Excellent correlations were observed between in vitro and in vivo dissolution profiles. This new approach holds great promise for the establishment of IVIVCs for drug and formulation development where absorption kinetics strongly depend on complex physiologically absorption processes.

Dissolution of explosive compounds TNT, RDX, and HMX under continuous flow conditions.

PubMed

Wang, Chao; Fuller, Mark E; Schaefer, Charles; Caplan, Jeffrey L; Jin, Yan

2012-05-30

2,4,6-trinitrotoluene (TNT), hexahydro-1,3,5-trinitro-1,3,5-triazine (RDX), and octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazocine (HMX) are common contaminants around active military firing ranges. Dissolution of these compounds is usually the first step prior to their spreading in subsurface environments. Nevertheless, dissolution of individual TNT, RDX, and HMX under continuous flow conditions has not been well investigated. This study applied spectral confocal microscopy to observe and quantify the dissolution of TNT, RDX, and HMX (<100 μm crystals) in micromodel channels. Dissolution models were developed to describe the changes of their radii, surface areas, volumes, and specific surface areas as a function of time. Results indicated that a model incorporating a resistance term that accounts for the surface area in direct contact with the channel surfaces (and hence, was not exposed to the flowing water) described the dissolution processes well. The model without the resistance term, however, could not capture the observed data at the late stage of TNT dissolution. The model-fitted mass transfer coefficients were in agreement with the previous reports. The study highlights the importance of including the resistance term in the dissolution model and illustrates the utility of the newly developed spectral imaging method for quantification of mass transfer of TNT, RDX, and HMX. Copyright © 2012 Elsevier B.V. All rights reserved.

Effect of concrete strength gradation to the compressive strength of graded concrete, a numerical approach

NASA Astrophysics Data System (ADS)

Pratama, M. Mirza Abdillah; Aylie, Han; Gan, Buntara Sthenly; Umniati, B. Sri; Risdanareni, Puput; Fauziyah, Shifa

2017-09-01

Concrete casting, compacting method, and characteristic of the concrete material determine the performance of concrete as building element due to the material uniformity issue. Previous studies show that gradation in strength exists on building member by nature and negatively influence the load carrying capacity of the member. A pilot research had modeled the concrete gradation in strength with controllable variable and observed that the weakest material determines the strength of graded concrete through uniaxial compressive loading test. This research intends to confirm the recent finding by a numerical approach with extensive variables of strength disparity. The finite element analysis was conducted using the Strand7 nonlinear program. The results displayed that the increase of strength disparity in graded concrete models leads to the slight reduction of models strength. A substantial difference in displacement response is encountered on the models for the small disparity of concrete strength. However, the higher strength of concrete mix in the graded concrete models contributes to the rise of material stiffness that provides a beneficial purpose for serviceability of building members.

Investigating the Impact of Drug Crystallinity in Amorphous Tacrolimus Capsules on Pharmacokinetics and Bioequivalence Using Discriminatory In Vitro Dissolution Testing and Physiologically Based Pharmacokinetic Modeling and Simulation.

PubMed

Purohit, Hitesh S; Trasi, Niraj S; Sun, Dajun D; Chow, Edwin C Y; Wen, Hong; Zhang, Xinyuan; Gao, Yi; Taylor, Lynne S

2018-05-01

Delivering a drug in amorphous form in a formulated product is a strategy used to enhance the apparent solubility of a drug substance and its oral bioavailability. Drug crystallization in such products may occur during the manufacturing process or on storage, reducing the solubility advantage of the amorphous drug. However, the impact of partial drug crystallization in the drug product on the resulting bioavailability and pharmacokinetics is unknown. In this study, dissolution testing of commercial tacrolimus capsules (which are formulated to contain amorphous drug), both fresh and those containing different amounts of crystalline drug, was conducted using both United States Pharmacopeia and noncompendial dissolution tests with different dissolution media and volumes. A physiologically based pharmacokinetic (PBPK) absorption model was developed to predict the impact of crystallinity extent on the oral absorption of the products and to evaluate the discriminatory ability of the different dissolution methods. Virtual bioequivalence simulations between partially crystallized tacrolimus capsules versus fresh Prograf or generic tacrolimus capsules were performed using the PBPK model and in vitro dissolution data of the various fresh and partially crystallized capsules under United States Pharmacopeia and noncompendial dissolution conditions. The results suggest that compendial dissolution tests may not be sufficiently discriminatory with respect to the presence of crystallinity in an amorphous formulation. Nonsink dissolution tests using lower dissolution volumes generate more discriminatory profiles that predict different pharmacokinetics of tacrolimus capsules containing different extents of drug crystallinity. In conclusion, the PBPK modeling approach can be used to assess the impact of partial drug crystallinity in the formulated product and to guide the development of appropriate dissolution methods. Copyright © 2018 American Pharmacists Association®. All rights reserved.

"We Decided to Call It Quits": An Exercise in Applying Duck's Dissolution Model to Students' Breakup Stories

ERIC Educational Resources Information Center

Barton, Matthew H.; Turman, Paul D.

2008-01-01

Steve Duck's scholarship has made a noticeable impact on the study of interpersonal communication. Of his works, one of the most noteworthy is the explanatory model of relationship disengagement and dissolution. Duck's Dissolution Model (DDM) explains the stages that relationships pass through when they encounter stress resulting in two…

A unified bond theory, probabilistic meso-scale modeling, and experimental validation of deformed steel rebar in normal strength concrete

NASA Astrophysics Data System (ADS)

Wu, Chenglin

Bond between deformed rebar and concrete is affected by rebar deformation pattern, concrete properties, concrete confinement, and rebar-concrete interfacial properties. Two distinct groups of bond models were traditionally developed based on the dominant effects of concrete splitting and near-interface shear-off failures. Their accuracy highly depended upon the test data sets selected in analysis and calibration. In this study, a unified bond model is proposed and developed based on an analogy to the indentation problem around the rib front of deformed rebar. This mechanics-based model can take into account the combined effect of concrete splitting and interface shear-off failures, resulting in average bond strengths for all practical scenarios. To understand the fracture process associated with bond failure, a probabilistic meso-scale model of concrete is proposed and its sensitivity to interface and confinement strengths are investigated. Both the mechanical and finite element models are validated with the available test data sets and are superior to existing models in prediction of average bond strength (< 6% error) and crack spacing (< 6% error). The validated bond model is applied to derive various interrelations among concrete crushing, concrete splitting, interfacial behavior, and the rib spacing-to-height ratio of deformed rebar. It can accurately predict the transition of failure modes from concrete splitting to rebar pullout and predict the effect of rebar surface characteristics as the rib spacing-to-height ratio increases. Based on the unified theory, a global bond model is proposed and developed by introducing bond-slip laws, and validated with testing of concrete beams with spliced reinforcement, achieving a load capacity prediction error of less than 26%. The optimal rebar parameters and concrete cover in structural designs can be derived from this study.

A multiphase interfacial model for the dissolution of spent nuclear fuel

NASA Astrophysics Data System (ADS)

Jerden, James L.; Frey, Kurt; Ebert, William

2015-07-01

The Fuel Matrix Dissolution Model (FMDM) is an electrochemical reaction/diffusion model for the dissolution of spent uranium oxide fuel. The model was developed to provide radionuclide source terms for use in performance assessment calculations for various types of geologic repositories. It is based on mixed potential theory and consists of a two-phase fuel surface made up of UO2 and a noble metal bearing fission product phase in contact with groundwater. The corrosion potential at the surface of the dissolving fuel is calculated by balancing cathodic and anodic reactions occurring at the solution interfaces with UO2 and NMP surfaces. Dissolved oxygen and hydrogen peroxide generated by radiolysis of the groundwater are the major oxidizing agents that promote fuel dissolution. Several reactions occurring on noble metal alloy surfaces are electrically coupled to the UO2 and can catalyze or inhibit oxidative dissolution of the fuel. The most important of these is the oxidation of hydrogen, which counteracts the effects of oxidants (primarily H2O2 and O2). Inclusion of this reaction greatly decreases the oxidation of U(IV) and slows fuel dissolution significantly. In addition to radiolytic hydrogen, large quantities of hydrogen can be produced by the anoxic corrosion of steel structures within and near the fuel waste package. The model accurately predicts key experimental trends seen in literature data, the most important being the dramatic depression of the fuel dissolution rate by the presence of dissolved hydrogen at even relatively low concentrations (e.g., less than 1 mM). This hydrogen effect counteracts oxidation reactions and can limit fuel degradation to chemical dissolution, which results in radionuclide source term values that are four or five orders of magnitude lower than when oxidative dissolution processes are operative. This paper presents the scientific basis of the model, the approach for modeling used fuel in a disposal system, and preliminary calculations to demonstrate the application and value of the model.

Simplified equation for Young's modulus of CNT reinforced concrete

NASA Astrophysics Data System (ADS)

Chandran, RameshBabu; Gifty Honeyta A, Maria

2017-12-01

This research investigation focuses on finite element modeling of carbon nanotube (CNT) reinforced concrete matrix for three grades of concrete namely M40, M60 and M120. Representative volume element (RVE) was adopted and one-eighth model depicting the CNT reinforced concrete matrix was simulated using FEA software ANSYS17.2. Adopting random orientation of CNTs, with nine fibre volume fractions from 0.1% to 0.9%, finite element modeling simulations replicated exactly the CNT reinforced concrete matrix. Upon evaluations of the model, the longitudinal and transverse Young's modulus of elasticity of the CNT reinforced concrete was arrived. The graphical plots between various fibre volume fractions and the concrete grade revealed simplified equation for estimating the young's modulus. It also exploited the fact that the concrete grade does not have significant impact in CNT reinforced concrete matrix.

Prediction model for carbonation depth of concrete subjected to freezing-thawing cycles

NASA Astrophysics Data System (ADS)

Xiao, Qian Hui; Li, Qiang; Guan, Xiao; Xian Zou, Ying

2018-03-01

Through the indoor simulation test of the concrete durability under the coupling effect of freezing-thawing and carbonation, the variation regularity of concrete neutralization depth under freezing-thawing and carbonation was obtained. Based on concrete carbonation mechanism, the relationship between the air diffusion coefficient and porosity in concrete was analyzed and the calculation method of porosity in Portland cement concrete and fly ash cement concrete was investigated, considering the influence of the freezing-thawing damage on the concrete diffusion coefficient. Finally, a prediction model of carbonation depth of concrete under freezing-thawing circumstance was established. The results obtained using this prediction model agreed well with the experimental test results, and provided a theoretical reference and basis for the concrete durability analysis under multi-factor environments.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Copuroglu, Oguzhan, E-mail: O.Copuroglu@CiTG.TUDelft.NL; Andic-Cakir, Ozge; Broekmans, Maarten A.T.M.

In this paper, the alkali-silica reaction performance of a basalt rock from western Anatolia, Turkey is reported. It is observed that the rock causes severe gel formation in the concrete microbar test. It appears that the main source of expansion is the reactive glassy phase of the basalt matrix having approximately 70% of SiO{sub 2}. The study presents the microstructural characteristics of unreacted and reacted basalt aggregate by optical and electron microscopy and discusses the possible reaction mechanism. Microstructural analysis revealed that the dissolution of silica is overwhelming in the matrix of the basalt and it eventually generates four consequences:more » (1) Formation of alkali-silica reaction gel at the aggregate perimeter, (2) increased porosity and permeability of the basalt matrix, (3) reduction of mechanical properties of the aggregate and (4) additional gel formation within the aggregate. It is concluded that the basalt rock is highly prone to alkali-silica reaction. As an aggregate, this rock is not suitable for concrete production.« less

Evidence from Opportunity's Microscopic Imager for water on Meridiani Planum.

PubMed

Herkenhoff, K E; Squyres, S W; Arvidson, R; Bass, D S; Bell, J F; Bertelsen, P; Ehlmann, B L; Farrand, W; Gaddis, L; Greeley, R; Grotzinger, J; Hayes, A G; Hviid, S F; Johnson, J R; Jolliff, B; Kinch, K M; Knoll, A H; Madsen, M B; Maki, J N; McLennan, S M; McSween, H Y; Ming, D W; Rice, J W; Richter, L; Sims, M; Smith, P H; Soderblom, L A; Spanovich, N; Sullivan, R; Thompson, S; Wdowiak, T; Weitz, C; Whelley, P

2004-12-03

The Microscopic Imager on the Opportunity rover analyzed textures of soils and rocks at Meridiani Planum at a scale of 31 micrometers per pixel. The uppermost millimeter of some soils is weakly cemented, whereas other soils show little evidence of cohesion. Rock outcrops are laminated on a millimeter scale; image mosaics of cross-stratification suggest that some sediments were deposited by flowing water. Vugs in some outcrop faces are probably molds formed by dissolution of relatively soluble minerals during diagenesis. Microscopic images support the hypothesis that hematite-rich spherules observed in outcrops and soils also formed diagenetically as concretions.

Solutal Convection in Porous Media

NASA Astrophysics Data System (ADS)

Liang, Y.; Wen, B.; DiCarlo, D. A.; Hesse, M. A.

2017-12-01

Atmospheric CO2 is one important component of greenhouse gases, which can greatly affect the temperature of the Earth. There are four trapping mechanisms for CO2sequestration, including structural & stratigraphic trapping, residual trapping, dissolution trapping and mineral trapping. Leakage potential is a serious problem for its storage efficiency, and dissolution trapping is a method that can prevent such leakages effectively. Convective dissolution trapping process can be simplified to an interesting physical problem: in porous media, dissolution can initiate convection, and then its dynamics can be affected by the continuous convection conversely. However, it is difficult to detect whether the convective dissolution may take place, as well as how fast and in what pattern it may take place. Previous studies have established a model and related scaling (Rayleigh number and Sherwood number) to describe this physical problem. To testify this model with a large range of Rayleigh numbers, we conducted a series of convective dissolution experiments in porous media. In addition, this large experimental assembly can allow us to quantify relation between wavenumber of the convective motion and the controlling factors of the system for the first time. The result of our laboratory experiments are revolutionary: On one hand, it shows that previous scaling of the convective dissolution becomes invalid once the permeability is large enough; On the other hand, the relation between wavenumber and Rayleigh number demonstrates an opposite trend against the classic model. According to our experimental results, we propose a new model to describe the solutal convection in porous media, and our model can describe and explain our experimental observations. Also, simulation work has been conducted to confirm our model. In the future, our model and relevant knowledge can be unscaled to industrial applications which are relevant to convective dissolution process.

Progress Implementing a Model-Based Iterative Reconstruction Algorithm for Ultrasound Imaging of Thick Concrete

DOE Office of Scientific and Technical Information (OSTI.GOV)

Almansouri, Hani; Johnson, Christi R; Clayton, Dwight A

All commercial nuclear power plants (NPPs) in the United States contain concrete structures. These structures provide important foundation, support, shielding, and containment functions. Identification and management of aging and the degradation of concrete structures is fundamental to the proposed long-term operation of NPPs. Concrete structures in NPPs are often inaccessible and contain large volumes of massively thick concrete. While acoustic imaging using the synthetic aperture focusing technique (SAFT) works adequately well for thin specimens of concrete such as concrete transportation structures, enhancements are needed for heavily reinforced, thick concrete. We argue that image reconstruction quality for acoustic imaging in thickmore » concrete could be improved with Model-Based Iterative Reconstruction (MBIR) techniques. MBIR works by designing a probabilistic model for the measurements (forward model) and a probabilistic model for the object (prior model). Both models are used to formulate an objective function (cost function). The final step in MBIR is to optimize the cost function. Previously, we have demonstrated a first implementation of MBIR for an ultrasonic transducer array system. The original forward model has been upgraded to account for direct arrival signal. Updates to the forward model will be documented and the new algorithm will be assessed with synthetic and empirical samples.« less

Progress implementing a model-based iterative reconstruction algorithm for ultrasound imaging of thick concrete

NASA Astrophysics Data System (ADS)

Almansouri, Hani; Johnson, Christi; Clayton, Dwight; Polsky, Yarom; Bouman, Charles; Santos-Villalobos, Hector

2017-02-01

All commercial nuclear power plants (NPPs) in the United States contain concrete structures. These structures provide important foundation, support, shielding, and containment functions. Identification and management of aging and the degradation of concrete structures is fundamental to the proposed long-term operation of NPPs. Concrete structures in NPPs are often inaccessible and contain large volumes of massively thick concrete. While acoustic imaging using the synthetic aperture focusing technique (SAFT) works adequately well for thin specimens of concrete such as concrete transportation structures, enhancements are needed for heavily reinforced, thick concrete. We argue that image reconstruction quality for acoustic imaging in thick concrete could be improved with Model-Based Iterative Reconstruction (MBIR) techniques. MBIR works by designing a probabilistic model for the measurements (forward model) and a probabilistic model for the object (prior model). Both models are used to formulate an objective function (cost function). The final step in MBIR is to optimize the cost function. Previously, we have demonstrated a first implementation of MBIR for an ultrasonic transducer array system. The original forward model has been upgraded to account for direct arrival signal. Updates to the forward model will be documented and the new algorithm will be assessed with synthetic and empirical samples.

Development and validation of a discriminating in vitro dissolution method for a poorly soluble drug, olmesartan medoxomil: comparison between commercial tablets.

PubMed

Bajerski, Lisiane; Rossi, Rochele Cassanta; Dias, Carolina Lupi; Bergold, Ana Maria; Fröehlich, Pedro Eduardo

2010-06-01

A dissolution test for tablets containing 40 mg of olmesartan medoxomil (OLM) was developed and validated using both LC-UV and UV methods. After evaluation of the sink condition, dissolution medium, and stability of the drug, the method was validated using USP apparatus 2, 50 rpm rotation speed, and 900 ml of deaerated H(2)O + 0.5% sodium lauryl sulfate (w/v) at pH 6.8 (adjusted with 18% phosphoric acid) as the dissolution medium. The model-independent method using difference factor (f(1)) and similarity factor (f(2)), model-dependent method, and dissolution efficiency were employed to compare dissolution profiles. The kinetic parameters of drug release were also investigated. The obtained results provided adequate dissolution profiles. The developed dissolution test was validated according to international guidelines. Since there is no monograph for this drug in tablets, the dissolution method presented here can be used as a quality control test for OLM in this dosage form, especially in a batch to batch evaluation.

Development and Validation of New Discriminative Dissolution Method for Carvedilol Tablets

PubMed Central

Raju, V.; Murthy, K. V. R.

2011-01-01

The objective of the present study was to develop and validate a discriminative dissolution method for evaluation of carvedilol tablets. Different conditions such as type of dissolution medium, volume of dissolution medium and rotation speed of paddle were evaluated. The best in vitro dissolution profile was obtained using Apparatus II (paddle), 50 rpm, 900 ml of pH 6.8 phosphate buffer as dissolution medium. The drug release was evaluated by high-performance liquid chromatographic method. The dissolution method was validated according to current ICH and FDA guidelines using parameters such as the specificity, accuracy, precision and stability were evaluated and obtained results were within the acceptable range. The comparison of the obtained dissolution profiles of three different products were investigated using ANOVA-based, model-dependent and model-independent methods, results showed that there is significant difference between the products. The dissolution test developed and validated was adequate for its higher discriminative capacity in differentiating the release characteristics of the products tested and could be applied for development and quality control of carvedilol tablets. PMID:22923865

Kinetics and mechanism of hydroxyapatite crystal dissolution in weak acid buffers using the rotating disk method.

PubMed

Wu, M S; Higuchi, W I; Fox, J L; Friedman, M

1976-01-01

The model given in this report and the rotating disk method provide a useful combination in the study of dental enamel and hydroxyapatite dissolution kinetics. The present approach is a significant improvement over earlier studies, and both the ionic activity product that governs the dissolution reaction and the apparent surface dissolution reaction rate constant may be simultaneously obtained. Thus, these investigations have established the baseline for the dissolution rate studies under sink conditions. Concurrent studies, under conditions where the acidic buffer mediums are partially saturated with respect to hydroxyapatite have shown another dissolution site for hydroxyapatite that operates at a higher ionic activity product but has a much smaller apparent surface reaction rate constant. This has raised the question of whether the presence of this second site may interfere with the proper theoretical analysis of the experimental results obtained under sink conditions. A preliminary analysis of the two-site model has shown that the dissolution kinetics of hydroxyapatite under sink conditions is almost completely governed by the sink condition site (KHAP = 10(-124.5), k' = 174) established in this report. The difference between the predicted dissolution rate for the one-site model and the two-site model are generally of the order of 4 to 5% where the experiments are conducted under sink conditions and over the range of variables covered in the present study.

Calcium Carbonate Dissolution Above the Lysocline: Implications of Copepod Grazing on Coccolithophores

NASA Astrophysics Data System (ADS)

White, M. M.; Waller, J. D.; Lubelczyk, L.; Drapeau, D.; Bowler, B.; Wyeth, A.; Fields, D.; Balch, W. M.

2016-02-01

Copepod-coccolithophore predator-prey interactions are of great importance because they facilitate the export of particulate inorganic and organic carbon (PIC and POC) from the surface ocean. Coccolith dissolution in acidic copepod guts has been proposed as a possible explanation for the paradox of PIC dissolution above the lysocline, but warrants further investigation. Using a new application of the 14C-microdiffusion technique, we investigated the dissolution of coccoliths in copepod guts. We considered both an estuarine predator-prey model (Acartia tonsa and Pleurochrysis carterae) and an open ocean predator-prey model (Calanus finmarchicus and Emiliania huxleyi). Additionally, we considered the impacts of pCO2 on this process to advance our understanding of the effects of ocean acidification on trophic interactions. In the estuarine predator-prey model, fecal pellets produced immediately after previously-starved copepods grazed on P. carterae had PIC/POC ratios 27-40 % lower than that of the algae, indicating PIC dissolution within the copepod gut, with no impact of pCO2 on this dissolution. Subsequent fecal pellets showed increasing PIC/POC, suggesting that calcite dissolution decreases as the gut fills. The open ocean predator-prey model showed equivocal results, indicating high variability among individual grazing behavior, and therefore no consistent impact of copepod grazing on coccolith dissolution above the lysocline in the open ocean. We will further discuss the effects of fecal pellet PIC/POC ratios on sinking rate.

Mathematical modeling of drug dissolution.

PubMed

Siepmann, J; Siepmann, F

2013-08-30

The dissolution of a drug administered in the solid state is a pre-requisite for efficient subsequent transport within the human body. This is because only dissolved drug molecules/ions/atoms are able to diffuse, e.g. through living tissue. Thus, generally major barriers, including the mucosa of the gastro intestinal tract, can only be crossed after dissolution. Consequently, the process of dissolution is of fundamental importance for the bioavailability and, hence, therapeutic efficacy of various pharmaco-treatments. Poor aqueous solubility and/or very low dissolution rates potentially lead to insufficient availability at the site of action and, hence, failure of the treatment in vivo, despite a potentially ideal chemical structure of the drug to interact with its target site. Different physical phenomena are involved in the process of drug dissolution in an aqueous body fluid, namely the wetting of the particle's surface, breakdown of solid state bonds, solvation, diffusion through the liquid unstirred boundary layer surrounding the particle as well as convection in the surrounding bulk fluid. Appropriate mathematical equations can be used to quantify these mass transport steps, and more or less complex theories can be developed to describe the resulting drug dissolution kinetics. This article gives an overview on the current state of the art of modeling drug dissolution and points out the assumptions the different theories are based on. Various practical examples are given in order to illustrate the benefits of such models. This review is not restricted to mathematical theories considering drugs exhibiting poor aqueous solubility and/or low dissolution rates, but also addresses models quantifying drug release from controlled release dosage forms, in which the process of drug dissolution plays a major role. Copyright © 2013 Elsevier B.V. All rights reserved.

Mechanism of Urea Crystal Dissolution in Water from Molecular Dynamics Simulation.

PubMed

Anand, Abhinav; Patey, G N

2018-01-25

Molecular dynamics simulations are used to determine the mechanism of urea crystal dissolution in water under sink conditions. Crystals of cubic and tablet shapes are considered, and results are reported for four commonly used water models. The dissolution rates for different water models can differ considerably, but the overall dissolution mechanism remains the same. Urea dissolution occurs in three stages: a relatively fast initial stage, a slower intermediate stage, and a final stage. We show that the long intermediate stage is well described by classical rate laws, which assume that the dissolution rate is proportional to the active surface area. By carrying out simulations at different temperatures, we show that urea dissolution is an activated process, with an activation energy of ∼32 kJ mol -1 . Our simulations give no indication of a significant diffusion layer, and we conclude that the detachment of molecules from the crystal is the rate-determining step for dissolution. The results we report for urea are consistent with earlier observations for the dissolution of NaCl crystals. This suggests that the three-stage mechanism and classical rate laws might apply to the dissolution of other ionic and molecular crystals.

Dissolution rate enhancement of gliclazide by ordered mixing.

PubMed

Saharan, Vikas A; Choudhury, Pratim K

2011-09-01

The poorly water soluble antidiabetic drug gliclazide was selected to study the effect of excipients on dissolution rate enhancement. Ordered mixtures of micronized gliclazide with lactose, mannitol, sorbitol, maltitol and sodium chloride were prepared by manual shaking of glass vials containing the drug and excipient(s). Different water soluble excipients, addition of surfactant and superdisintegrant, drug concentration and carrier particle size influenced the dissolution rate of the drug. Dissolution rate studies of the prepared ordered mixtures revealed an increase in drug dissolution with all water soluble excipients. The order of dissolution rate improvement for gliclazide was mannitol > lactose > maltitol > sorbitol > sodium chloride. Composite granules of the particle size range 355-710 μm were superior in increasing the drug dissolution rate from ordered mixtures. Reducing the carrier particle size decreased the dissolution rate of the drug as well as the increase in drug concentration. Kinetic modeling of drug release data fitted best the Hixson-Crowell model, which indicates that all the ordered mixture formulations followed the cube root law fairly well.

A Plasticity Model to Predict the Effects of Confinement on Concrete

NASA Astrophysics Data System (ADS)

Wolf, Julie

A plasticity model to predict the behavior of confined concrete is developed. The model is designed to implicitly account for the increase in strength and ductility due to confining a concrete member. The concrete model is implemented into a finite element (FE) model. By implicitly including the change in the strength and ductility in the material model, the confining material can be explicitly included in the FE model. Any confining material can be considered, and the effects on the concrete of failure in the confinement material can be modeled. Test data from a wide variety of different concretes utilizing different confinement methods are used to estimate the model parameters. This allows the FE model to capture the generalized behavior of concrete under multiaxial loading. The FE model is used to predict the results of tests on reinforced concrete members confined by steel hoops and fiber reinforced polymer (FRP) jackets. Loading includes pure axial load and axial load-moment combinations. Variability in the test data makes the model predictions difficult to compare but, overall, the FE model is able to capture the effects of confinement on concrete. Finally, the FE model is used to compare the performance of steel hoop to FRP confined sections, and of square to circular cross sections. As expected, circular sections are better able to engage the confining material, leading to higher strengths. However, higher strains are seen in the confining material for the circular sections. This leads to failure at lower axial strain levels in the case of the FRP confined sections. Significant differences are seen in the behavior of FRP confined members and steel hoop confined members. Failure in the FRP members is always determined by rupture in the composite jacket. As a result, the FRP members continue to take load up to failure. In contrast, the steel hoop confined sections exhibit extensive strain softening before failure. This comparison illustrates the usefulness of the concrete model as a tool for designers. Overall, the concrete model provides a flexible and powerful method to predict the performance of confined concrete.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Park, Kyoungsoo, E-mail: kpark16@illinois.ed; Paulino, Glaucio H.; Roesler, Jeffery

A simple, effective, and practical constitutive model for cohesive fracture of fiber reinforced concrete is proposed by differentiating the aggregate bridging zone and the fiber bridging zone. The aggregate bridging zone is related to the total fracture energy of plain concrete, while the fiber bridging zone is associated with the difference between the total fracture energy of fiber reinforced concrete and the total fracture energy of plain concrete. The cohesive fracture model is defined by experimental fracture parameters, which are obtained through three-point bending and split tensile tests. As expected, the model describes fracture behavior of plain concrete beams. Inmore » addition, it predicts the fracture behavior of either fiber reinforced concrete beams or a combination of plain and fiber reinforced concrete functionally layered in a single beam specimen. The validated model is also applied to investigate continuously, functionally graded fiber reinforced concrete composites.« less

Development of design parameters for mass concrete using finite element analysis : final report, February 2010.

DOT National Transportation Integrated Search

2010-02-01

A finite element model for analysis of mass concrete was developed in this study. To validate the developed model, large concrete blocks made with four different mixes of concrete, typical of use in mass concrete applications in Florida, were made an...

Modeling solid-state transformations occurring in dissolution testing.

PubMed

Laaksonen, Timo; Aaltonen, Jaakko

2013-04-15

Changes in the solid-state form can occur during dissolution testing of drugs. This can often complicate interpretation of results. Additionally, there can be several mechanisms through which such a change proceeds, e.g. solvent-mediated transformation or crystal growth within the drug material itself. Here, a mathematical model was constructed to study the dissolution testing of a material, which undergoes such changes. The model consisted of two processes: the recrystallization of the drug from a supersaturated liquid state caused by the dissolution of the more soluble solid form and the crystal growth of the stable solid form at the surface of the drug formulation. Comparison to experimental data on theophylline dissolution showed that the results obtained with the model matched real solid-state changes and that it was able to distinguish between cases where the transformation was controlled either by solvent-mediated crystallization or solid-state crystal growth. Copyright © 2013 Elsevier B.V. All rights reserved.

Mechanical Model for Dynamic Behavior of Concrete Under Impact Loading

NASA Astrophysics Data System (ADS)

Sun, Yuanxiang

Concrete is a geo-material which is used substantively in the civil building and military safeguard. One coupled model of damage and plasticity to describe the complex behavior of concrete subjected to impact loading is proposed in this research work. The concrete is assumed as homogeneous continuum with pre-existing micro-cracks and micro-voids. Damage to concrete is caused due to micro-crack nucleation, growth and coalescence, and defined as the probability of fracture at a given crack density. It induces a decrease of strength and stiffness of concrete. Compaction of concrete is physically a collapse of the material voids. It produces the plastic strain in the concrete and, at the same time, an increase of the bulk modulus. In terms of crack growth model, micro-cracks are activated, and begin to propagate gradually. When crack density reaches a critical value, concrete takes place the smashing destroy. The model parameters for mortar are determined using plate impact experiment with uni-axial strain state. Comparison with the test results shows that the proposed model can give consistent prediction of the impact behavior of concrete. The proposed model may be used to design and analysis of concrete structures under impact and shock loading. This work is supported by State Key Laboratory of Explosion science and Technology, Beijing Institute of Technology (YBKT14-02).

In Silico Modeling Approach for the Evaluation of Gastrointestinal Dissolution, Supersaturation, and Precipitation of Posaconazole.

PubMed

Hens, Bart; Pathak, Shriram M; Mitra, Amitava; Patel, Nikunjkumar; Liu, Bo; Patel, Sanjaykumar; Jamei, Masoud; Brouwers, Joachim; Augustijns, Patrick; Turner, David B

2017-12-04

The aim of this study was to evaluate gastrointestinal (GI) dissolution, supersaturation, and precipitation of posaconazole, formulated as an acidified (pH 1.6) and neutral (pH 7.1) suspension. A physiologically based pharmacokinetic (PBPK) modeling and simulation tool was applied to simulate GI and systemic concentration-time profiles of posaconazole, which were directly compared with intraluminal and systemic data measured in humans. The Advanced Dissolution Absorption and Metabolism (ADAM) model of the Simcyp Simulator correctly simulated incomplete gastric dissolution and saturated duodenal concentrations of posaconazole in the duodenal fluids following administration of the neutral suspension. In contrast, gastric dissolution was approximately 2-fold higher after administration of the acidified suspension, which resulted in supersaturated concentrations of posaconazole upon transfer to the upper small intestine. The precipitation kinetics of posaconazole were described by two precipitation rate constants, extracted by semimechanistic modeling of a two-stage medium change in vitro dissolution test. The 2-fold difference in exposure in the duodenal compartment for the two formulations corresponded with a 2-fold difference in systemic exposure. This study demonstrated for the first time predictive in silico simulations of GI dissolution, supersaturation, and precipitation for a weakly basic compound in part informed by modeling of in vitro dissolution experiments and validated via clinical measurements in both GI fluids and plasma. Sensitivity analysis with the PBPK model indicated that the critical supersaturation ratio (CSR) and second precipitation rate constant (sPRC) are important parameters of the model. Due to the limitations of the two-stage medium change experiment the CSR was extracted directly from the clinical data. However, in vitro experiments with the BioGIT transfer system performed after completion of the in silico modeling provided an almost identical CSR to the clinical study value; this had no significant impact on the PBPK model predictions.

Thermo-mechanical simulations of early-age concrete cracking with durability predictions

NASA Astrophysics Data System (ADS)

Havlásek, Petr; Šmilauer, Vít; Hájková, Karolina; Baquerizo, Luis

2017-09-01

Concrete performance is strongly affected by mix design, thermal boundary conditions, its evolving mechanical properties, and internal/external restraints with consequences to possible cracking with impaired durability. Thermo-mechanical simulations are able to capture those relevant phenomena and boundary conditions for predicting temperature, strains, stresses or cracking in reinforced concrete structures. In this paper, we propose a weakly coupled thermo-mechanical model for early age concrete with an affinity-based hydration model for thermal part, taking into account concrete mix design, cement type and thermal boundary conditions. The mechanical part uses B3/B4 model for concrete creep and shrinkage with isotropic damage model for cracking, able to predict a crack width. All models have been implemented in an open-source OOFEM software package. Validations of thermo-mechanical simulations will be presented on several massive concrete structures, showing excellent temperature predictions. Likewise, strain validation demonstrates good predictions on a restrained reinforced concrete wall and concrete beam. Durability predictions stem from induction time of reinforcement corrosion, caused by carbonation and/or chloride ingress influenced by crack width. Reinforcement corrosion in concrete struts of a bridge will serve for validation.

Dynamic responses of concrete-filled steel tubular member under axial compression considering creep effect

NASA Astrophysics Data System (ADS)

Jiang, X. T.; Wang, Y. D.; Dai, C. H.; Ding, M.

2017-08-01

The finite element model of concrete-filled steel tubular member was established by the numerical analysis software considering material nonlinearity to analyze concrete creep effect on the dynamic responses of the member under axial compression and lateral impact. In the model, the constitutive model of core concrete is the plastic damage model, that of steel is the Von Mises yield criterion and kinematic hardening model, and the creep effect at different ages is equivalent to the change of concrete elastic modulus. Then the dynamic responses of concrete-filled steel tubular member considering creep effects was simulated, and the effects of creep on contact time, impact load, deflection, stress and strain were discussed. The fruits provide a scientific basis for the design of the impact resistance of concrete filled steel tubular members.

Development of In Vitro-In Vivo Correlation/Relationship Modeling Approaches for Immediate Release Formulations Using Compartmental Dynamic Dissolution Data from “Golem”: A Novel Apparatus

PubMed Central

Tuszyński, Paweł K.; Polak, Sebastian; Jachowicz, Renata; Mendyk, Aleksander; Dohnal, Jiří

2015-01-01

Different batches of atorvastatin, represented by two immediate release formulation designs, were studied using a novel dynamic dissolution apparatus, simulating stomach and small intestine. A universal dissolution method was employed which simulated the physiology of human gastrointestinal tract, including the precise chyme transit behavior and biorelevant conditions. The multicompartmental dissolution data allowed direct observation and qualitative discrimination of the differences resulting from highly pH dependent dissolution behavior of the tested batches. Further evaluation of results was performed using IVIVC/IVIVR development. While satisfactory correlation could not be achieved using a conventional deconvolution based-model, promising results were obtained through the use of a nonconventional approach exploiting the complex compartmental dissolution data. PMID:26120580

Field-scale Prediction of Enhanced DNAPL Dissolution Using Partitioning Tracers and Flow Pattern Effects

NASA Astrophysics Data System (ADS)

Wang, F.; Annable, M. D.; Jawitz, J. W.

2012-12-01

The equilibrium streamtube model (EST) has demonstrated the ability to accurately predict dense nonaqueous phase liquid (DNAPL) dissolution in laboratory experiments and numerical simulations. Here the model is applied to predict DNAPL dissolution at a PCE-contaminated dry cleaner site, located in Jacksonville, Florida. The EST is an analytical solution with field-measurable input parameters. Here, measured data from a field-scale partitioning tracer test were used to parameterize the EST model and the predicted PCE dissolution was compared to measured data from an in-situ alcohol (ethanol) flood. In addition, a simulated partitioning tracer test from a calibrated spatially explicit multiphase flow model (UTCHEM) was also used to parameterize the EST analytical solution. The ethanol prediction based on both the field partitioning tracer test and the UTCHEM tracer test simulation closely matched the field data. The PCE EST prediction showed a peak shift to an earlier arrival time that was concluded to be caused by well screen interval differences between the field tracer test and alcohol flood. This observation was based on a modeling assessment of potential factors that may influence predictions by using UTCHEM simulations. The imposed injection and pumping flow pattern at this site for both the partitioning tracer test and alcohol flood was more complex than the natural gradient flow pattern (NGFP). Both the EST model and UTCHEM were also used to predict PCE dissolution under natural gradient conditions, with much simpler flow patterns than the forced-gradient double five spot of the alcohol flood. The NGFP predictions based on parameters determined from tracer tests conducted with complex flow patterns underestimated PCE concentrations and total mass removal. This suggests that the flow patterns influence aqueous dissolution and that the aqueous dissolution under the NGFP is more efficient than dissolution under complex flow patterns.

Dissolution process analysis using model-free Noyes-Whitney integral equation.

PubMed

Hattori, Yusuke; Haruna, Yoshimasa; Otsuka, Makoto

2013-02-01

Drug dissolution process of solid dosages is theoretically described by Noyes-Whitney-Nernst equation. However, the analysis of the process is demonstrated assuming some models. Normally, the model-dependent methods are idealized and require some limitations. In this study, Noyes-Whitney integral equation was proposed and applied to represent the drug dissolution profiles of a solid formulation via the non-linear least squares (NLLS) method. The integral equation is a model-free formula involving the dissolution rate constant as a parameter. In the present study, several solid formulations were prepared via changing the blending time of magnesium stearate (MgSt) with theophylline monohydrate, α-lactose monohydrate, and crystalline cellulose. The formula could excellently represent the dissolution profile, and thereby the rate constant and specific surface area could be obtained by NLLS method. Since the long time blending coated the particle surface with MgSt, it was found that the water permeation was disturbed by its layer dissociating into disintegrant particles. In the end, the solid formulations were not disintegrated; however, the specific surface area gradually increased during the process of dissolution. The X-ray CT observation supported this result and demonstrated that the rough surface was dominant as compared to dissolution, and thus, specific surface area of the solid formulation gradually increased. Copyright © 2012 Elsevier B.V. All rights reserved.

Chemical structure influence on NAPL mixture nonideality evolution, rate-limited dissolution, and contaminant mass flux.

PubMed

Padgett, Mark C; Tick, Geoffrey R; Carroll, Kenneth C; Burke, William R

2017-03-01

The influence of chemical structure on NAPL mixture nonideality evolution, rate-limited dissolution, and contaminant mass flux was examined. The variability of measured and UNIFAC modeled NAPL activity coefficients as a function of mole fraction was compared for two NAPL mixtures containing structurally-different contaminants of concern including toluene (TOL) or trichloroethene (TCE) within a hexadecane (HEXDEC) matrix. The results showed that dissolution from the NAPL mixtures transitioned from ideality for mole fractions >0.05 to nonideality as mole fractions decreased. In particular, the TCE generally exhibited more ideal dissolution behavior except at lower mole fractions, and may indicate greater structural/polarity similarity between the two compounds. Raoult's Law and UNIFAC generally under-predicted the batch experiment results for TOL:HEXDEC mixtures especially for mole fractions ≤0.05. The dissolution rate coefficients were similar for both TOL and TCE over all mole fractions tested. Mass flux reduction (MFR) analysis showed that more efficient removal behavior occurred for TOL and TCE with larger mole fractions compared to the lower initial mole fraction mixtures (i.e. <0.2). However, compared to TOL, TCE generally exhibited more efficient removal behavior over all mole fractions tested and may have been the result of structural and molecular property differences between the compounds. Activity coefficient variability as a function of mole fraction was quantified through regression analysis and incorporated into dissolution modeling analyses for the dynamic flushing experiments. TOL elution concentrations were modeled (predicted) reasonable well using ideal and equilibrium assumptions, but the TCE elution concentrations could not be predicted using the ideal model. Rather, the dissolution modeling demonstrated that TCE elution was better described by the nonideal model whereby NAPL-phase activity coefficient varied as a function of COC mole fraction. For dynamic column flushing experiments, dissolution rate kinetics can vary significantly with changes in NAPL volume and surface area. However, under conditions whereby NAPL volume and area are not significantly altered during dissolution, mixture nonideality effects may have a greater relative control on dissolution (elution) and MFR behavior compared to kinetic rate limitations. Copyright © 2017 Elsevier B.V. All rights reserved.

Chemical structure influence on NAPL mixture nonideality evolution, rate-limited dissolution, and contaminant mass flux

NASA Astrophysics Data System (ADS)

Padgett, Mark C.; Tick, Geoffrey R.; Carroll, Kenneth C.; Burke, William R.

2017-03-01

The influence of chemical structure on NAPL mixture nonideality evolution, rate-limited dissolution, and contaminant mass flux was examined. The variability of measured and UNIFAC modeled NAPL activity coefficients as a function of mole fraction was compared for two NAPL mixtures containing structurally-different contaminants of concern including toluene (TOL) or trichloroethene (TCE) within a hexadecane (HEXDEC) matrix. The results showed that dissolution from the NAPL mixtures transitioned from ideality for mole fractions > 0.05 to nonideality as mole fractions decreased. In particular, the TCE generally exhibited more ideal dissolution behavior except at lower mole fractions, and may indicate greater structural/polarity similarity between the two compounds. Raoult's Law and UNIFAC generally under-predicted the batch experiment results for TOL:HEXDEC mixtures especially for mole fractions ≤ 0.05. The dissolution rate coefficients were similar for both TOL and TCE over all mole fractions tested. Mass flux reduction (MFR) analysis showed that more efficient removal behavior occurred for TOL and TCE with larger mole fractions compared to the lower initial mole fraction mixtures (i.e. < 0.2). However, compared to TOL, TCE generally exhibited more efficient removal behavior over all mole fractions tested and may have been the result of structural and molecular property differences between the compounds. Activity coefficient variability as a function of mole fraction was quantified through regression analysis and incorporated into dissolution modeling analyses for the dynamic flushing experiments. TOL elution concentrations were modeled (predicted) reasonable well using ideal and equilibrium assumptions, but the TCE elution concentrations could not be predicted using the ideal model. Rather, the dissolution modeling demonstrated that TCE elution was better described by the nonideal model whereby NAPL-phase activity coefficient varied as a function of COC mole fraction. For dynamic column flushing experiments, dissolution rate kinetics can vary significantly with changes in NAPL volume and surface area. However, under conditions whereby NAPL volume and area are not significantly altered during dissolution, mixture nonideality effects may have a greater relative control on dissolution (elution) and MFR behavior compared to kinetic rate limitations.

Integrating In Vitro, Modeling, and In Vivo Approaches to Investigate Warfarin Bioequivalence

PubMed Central

Wen, H; Fan, J; Vince, B; Li, T; Gao, W; Kinjo, M; Brown, J; Sun, W; Jiang, W; Lionberger, R

2017-01-01

We demonstrate the use of modeling and simulation to investigate bioequivalence (BE) concerns raised about generic warfarin products. To test the hypothesis that the loss of isopropyl alcohol and slow dissolution in acidic pH has significant impact on the pharmacokinetics of warfarin sodium tablets, we conducted physiologically based pharmacokinetic absorption modeling and simulation using formulation factors or in vitro dissolution profiles as input parameters. Sensitivity analyses indicated that warfarin pharmacokinetics was not sensitive to solubility, particle size, density, or dissolution rate in pH 4.5, but was affected by dissolution rate in pH 6.8 and potency. Virtual BE studies suggested that stressed warfarin sodium tablets with slow dissolution rate in pH 4.5 but having similar dissolution rate in pH 6.8 would be bioequivalent to the unstressed warfarin sodium tablets. A four‐way, crossover, single‐dose BE study in healthy subjects was conducted to test the same hypothesis and confirmed the simulation conclusion. PMID:28379643

Modeling damage in concrete pavements and bridges.

DOT National Transportation Integrated Search

2010-09-01

This project focused on micromechanical modeling of damage in concrete under general, multi-axial loading. A : continuum-level, three-dimensional constitutive model based on micromechanics was developed. The model : accounts for damage in concrete by...

Difference in the Dissolution Behaviors of Tablets Containing Polyvinylpolypyrrolidone (PVPP) Depending on Pharmaceutical Formulation After Storage Under High Temperature and Humid Conditions.

PubMed

Takekuma, Yoh; Ishizaka, Haruka; Sumi, Masato; Sato, Yuki; Sugawara, Mitsuru

Storage under high temperature and humid conditions has been reported to decrease the dissolution rate for some kinds of tablets containing polyvinylpolypyrrolidone (PVPP) as a disintegrant. The aim of this study was to elucidate the properties of pharmaceutical formulations with PVPP that cause a decrease in the dissolution rate after storage under high temperature and humid conditions by using model tablets with a simple composition. Model tablets, which consisted of rosuvastatin calcium or 5 simple structure compounds, salicylic acid, 2-aminodiphenylmethane, 2-aminobiphenyl, 2-(p-tolyl)benzoic acid or 4.4'-biphenol as principal agents, cellulose, lactose hydrate, PVPP and magnesium stearate as additives, were made by direct compression. The model tables were wrapped in paraffin papers and stored for 2 weeks at 40°C/75% relative humidity (RH). Dissolution tests were carried out by the paddle method in the Japanese Pharmacopoeia 16th edition. Model tablets with a simple composition were able to reproduce a decreased dissolution rate after storage at 40°C/75% RH. These tablets showed significantly decreased water absorption activities after storage. In the case of tablets without lactose hydrate by replacing with cellulose, a decreased dissolution rate was not observed. Carboxyl and amino groups in the structure of the principal agent were not directly involved in the decreased dissolution. 2-Benzylaniline tablets showed a remarkably decreased dissolution rate and 2-aminobiphenyl and 2-(p-tolyl)benzoic acid tablets showed slightly decreased dissolution rates, though 4,4'-biphenol tablets did not show a decrease dissolution rate. We demonstrated that additives and structure of the principal agent were involved in the decreased in dissolution rate for tablets with PVPP. The results suggested that one of the reasons for a decreased dissolution rate was the inclusion of lactose hydrate in tablets. The results also indicated that compounds as principal agents with low affinity for PVPP may be easily affected by airborne water under high temperature and humid conditions. This article is open to POST-PUBLICATION REVIEW. Registered readers (see "For Readers") may comment by clicking on ABSTRACT on the issue's contents page.

Effect of drug loading method against drug dissolution mechanism of encapsulated amoxicillin trihydrate in matrix of semi-IPN chitosan-poly(N-vinylpyrrolidone) hydrogel with KHCO3 as pore forming agent in floating drug delivery system

NASA Astrophysics Data System (ADS)

Fimantari, Khansa; Budianto, Emil

2018-04-01

Helicobacterpylori infection can be treated using trihydrate amoxicillin. However, this treatment is not effective enough, as the conventional dosage treatment has a relatively short retention time in the human stomach. In the present study, the amoxicillin trihydrate drug will be encapsulated into a semi-IPN K-PNVP hydrogel matrix with 7,5% KHCO3 as a pore-forming agent. The encapsulated drug is tested with in vitro method to see the efficiency of its encapsulation and dissolution. The hydrogel in situ loading produces an encapsulation efficiency value. The values of the encapsulation efficiency are 95% and 98%, while post loading hydrogel yields an encapsulation efficiency value is 77% and the dissolution is 84%. The study of drug dissolution mechanism was done by using mathematical equation model to know its kinetics and its mechanism of dissolution. The post loading hydrogel was done by using thefirst-order model, while hydrogel in situ loading used Higuchi model. The Korsmeyer-Peppas model shows that post loading hydrogel dissolution mechanism is a mixture of diffusion and erosion, and in situ loading hydrogel in the form of diffusion. It is supported by the results of hydrogel characterization, before and after dissolution test with an optical microscope. The results of the optical microscope show that the hydrogel surface before and after the dissolution tested for both methods shows the change becomes rougher.

Fractional order creep model for dam concrete considering degree of hydration

NASA Astrophysics Data System (ADS)

Huang, Yaoying; Xiao, Lei; Bao, Tengfei; Liu, Yu

2018-05-01

Concrete is a material that is an intermediate between an ideal solid and an ideal fluid. The creep of concrete is related not only to the loading age and duration, but also to its temperature and temperature history. Fractional order calculus is a powerful tool for solving physical mechanics modeling problems. Using a software element based on the generalized Kelvin model, a fractional order creep model of concrete considering the loading age and duration is established. Then, the hydration rate of cement is considered in terms of the degree of hydration, and the fractional order creep model of concrete considering the degree of hydration is established. Moreover, uniaxial tensile creep tests of dam concrete under different curing temperatures were conducted, and the results were combined with the creep test data and complex optimization method to optimize the parameters of a new creep model. The results show that the fractional tensile creep model based on hydration degree can better describe the tensile creep properties of concrete, and this model involves fewer parameters than the 8-parameter model.

Modeling of Hydration, Compressive Strength, and Carbonation of Portland-Limestone Cement (PLC) Concrete.

PubMed

Wang, Xiao-Yong

2017-01-26

Limestone is widely used in the construction industry to produce Portland limestone cement (PLC) concrete. Systematic evaluations of hydration kinetics, compressive strength development, and carbonation resistance are crucial for the rational use of limestone. This study presents a hydration-based model for evaluating the influences of limestone on the strength and carbonation of concrete. First, the hydration model analyzes the dilution effect and the nucleation effect of limestone during the hydration of cement. The degree of cement hydration is calculated by considering concrete mixing proportions, binder properties, and curing conditions. Second, by using the gel-space ratio, the compressive strength of PLC concrete is evaluated. The interactions among water-to-binder ratio, limestone replacement ratio, and strength development are highlighted. Third, the carbonate material contents and porosity are calculated from the hydration model and are used as input parameters for the carbonation model. By considering concrete microstructures and environmental conditions, the carbon dioxide diffusivity and carbonation depth of PLC concrete are evaluated. The proposed model has been determined to be valid for concrete with various water-to-binder ratios, limestone contents, and curing periods.

Modeling of Hydration, Compressive Strength, and Carbonation of Portland-Limestone Cement (PLC) Concrete

PubMed Central

Wang, Xiao-Yong

2017-01-01

Limestone is widely used in the construction industry to produce Portland limestone cement (PLC) concrete. Systematic evaluations of hydration kinetics, compressive strength development, and carbonation resistance are crucial for the rational use of limestone. This study presents a hydration-based model for evaluating the influences of limestone on the strength and carbonation of concrete. First, the hydration model analyzes the dilution effect and the nucleation effect of limestone during the hydration of cement. The degree of cement hydration is calculated by considering concrete mixing proportions, binder properties, and curing conditions. Second, by using the gel–space ratio, the compressive strength of PLC concrete is evaluated. The interactions among water-to-binder ratio, limestone replacement ratio, and strength development are highlighted. Third, the carbonate material contents and porosity are calculated from the hydration model and are used as input parameters for the carbonation model. By considering concrete microstructures and environmental conditions, the carbon dioxide diffusivity and carbonation depth of PLC concrete are evaluated. The proposed model has been determined to be valid for concrete with various water-to-binder ratios, limestone contents, and curing periods. PMID:28772472

Progress toward bridging from atomistic to continuum modeling to predict nuclear waste glass dissolution.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Zapol, Peter; Bourg, Ian; Criscenti, Louise Jacqueline

2011-10-01

This report summarizes research performed for the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Subcontinuum and Upscaling Task. The work conducted focused on developing a roadmap to include molecular scale, mechanistic information in continuum-scale models of nuclear waste glass dissolution. This information is derived from molecular-scale modeling efforts that are validated through comparison with experimental data. In addition to developing a master plan to incorporate a subcontinuum mechanistic understanding of glass dissolution into continuum models, methods were developed to generate constitutive dissolution rate expressions from quantum calculations, force field models were selected to generate multicomponent glass structures and gel layers,more » classical molecular modeling was used to study diffusion through nanopores analogous to those in the interfacial gel layer, and a micro-continuum model (K{mu}C) was developed to study coupled diffusion and reaction at the glass-gel-solution interface.« less

Shrinkage stress in concrete under dry-wet cycles: an example with concrete column

NASA Astrophysics Data System (ADS)

Gao, Yuan; Zhang, Jun; Luosun, Yiming

2014-02-01

This paper focuses on the simulation of shrinkage stress in concrete structures under dry-wet environments. In the modeling, an integrative model for autogenous and drying shrinkage predictions of concrete under dry-wet cycles is introduced first. Second, a model taking both cement hydration and moisture diffusion into account synchronously is used to calculate the distribution of interior humidity in concrete. Using the above two models, the distributions of shrinkage strain and stress in concrete columns made by normal and high strength concrete respectively under dry-wet cycles are calculated. The model results show that shrinkage gradient along the radial direction of the column from the center to outer surface increases with age as the outer circumference suffers to dry. The maximum and minimum shrinkage occur at the outer surface and the center of the column, respectively, under drying condition. As wetting starts, the shrinkage strain decreases with increase of interior humidity. The closer to the wetting face, the higher the humidity and the lower the shrinkage strain, as well as the lower the shrinkage stress. As results of the dry-wet cycles acting on the outer circumference of the column, cyclic stress status is developed within the area close to the outer surface of the column. The depth of the influencing zone of dry-wet cyclic action is influenced by concrete strength and dry-wet regime. For low strength concrete, relatively deeper influencing zone is expected compared with that of high strength concrete. The models are verified by concrete-steel composite ring tests and a good agreement between model and test results is found.

Inverse modeling of BTEX dissolution and biodegradation at the Bemidji, MN crude-oil spill site

USGS Publications Warehouse

Essaid, H.I.; Cozzarelli, I.M.; Eganhouse, R.P.; Herkelrath, W.N.; Bekins, B.A.; Delin, G.N.

2003-01-01

The U.S. Geological Survey (USGS) solute transport and biodegradation code BIOMOC was used in conjunction with the USGS universal inverse modeling code UCODE to quantify field-scale hydrocarbon dissolution and biodegradation at the USGS Toxic Substances Hydrology Program crude-oil spill research site located near Bemidji, MN. This inverse modeling effort used the extensive historical data compiled at the Bemidji site from 1986 to 1997 and incorporated a multicomponent transport and biodegradation model. Inverse modeling was successful when coupled transport and degradation processes were incorporated into the model and a single dissolution rate coefficient was used for all BTEX components. Assuming a stationary oil body, we simulated benzene, toluene, ethylbenzene, m,p-xylene, and o-xylene (BTEX) concentrations in the oil and ground water, respectively, as well as dissolved oxygen. Dissolution from the oil phase and aerobic and anaerobic degradation processes were represented. The parameters estimated were the recharge rate, hydraulic conductivity, dissolution rate coefficient, individual first-order BTEX anaerobic degradation rates, and transverse dispersivity. Results were similar for simulations obtained using several alternative conceptual models of the hydrologic system and biodegradation processes. The dissolved BTEX concentration data were not sufficient to discriminate between these conceptual models. The calibrated simulations reproduced the general large-scale evolution of the plume, but did not reproduce the observed small-scale spatial and temporal variability in concentrations. The estimated anaerobic biodegradation rates for toluene and o-xylene were greater than the dissolution rate coefficient. However, the estimated anaerobic biodegradation rates for benzene, ethylbenzene, and m,p-xylene were less than the dissolution rate coefficient. The calibrated model was used to determine the BTEX mass balance in the oil body and groundwater plume. Dissolution from the oil body was greatest for compounds with large effective solubilities (benzene) and with large degradation rates (toluene and o-xylene). Anaerobic degradation removed 77% of the BTEX that dissolved into the water phase and aerobic degradation removed 17%. Although goodness-of-fit measures for the alternative conceptual models were not significantly different, predictions made with the models were quite variable. ?? 2003 Elsevier Science B.V. All rights reserved.

The Kinetics of Dissolution Revisited

NASA Astrophysics Data System (ADS)

Antonel, Paula S.; Hoijemberg, Pablo A.; Maiante, Leandro M.; Lagorio, M. Gabriela

2003-09-01

An experiment analyzing the kinetics of dissolution of a solid with cylindrical geometry in water is presented. The dissolution process is followed by measuring the solid mass and its size parameters (thickness and diameter) as a function of time. It is verified that the dissolution rate follows the Nernst model. Data treatment is compared with the dissolution of a spherical solid previously described. Kinetics, diffusion concepts, and polynomial fitting of experimental data are combined in this simple experiment.

Justification of disintegration testing beyond current FDA criteria using in vitro and in silico models.

PubMed

Uebbing, Lukas; Klumpp, Lukas; Webster, Gregory K; Löbenberg, Raimar

2017-01-01

Drug product performance testing is an important part of quality-by-design approaches, but this process often lacks the underlying mechanistic understanding of the complex interactions between the disintegration and dissolution processes involved. Whereas a recent draft guideline by the US Food and Drug Administration (FDA) has allowed the replacement of dissolution testing with disintegration testing, the mentioned criteria are not globally accepted. This study provides scientific justification for using disintegration testing rather than dissolution testing as a quality control method for certain immediate release (IR) formulations. A mechanistic approach, which is beyond the current FDA criteria, is presented. Dissolution testing via United States Pharmacopeial Convention Apparatus II at various paddle speeds was performed for immediate and extended release formulations of metronidazole. Dissolution profile fitting via DDSolver and dissolution profile predictions via DDDPlus™ were performed. The results showed that Fickian diffusion and drug particle properties (DPP) were responsible for the dissolution of the IR tablets, and that formulation factors (eg, coning) impacted dissolution only at lower rotation speeds. Dissolution was completely formulation controlled if extended release tablets were tested and DPP were not important. To demonstrate that disintegration is the most important dosage form attribute when dissolution is DPP controlled, disintegration, intrinsic dissolution and dissolution testing were performed in conventional and disintegration impacting media (DIM). Tablet disintegration was affected by DIM and model fitting to the Korsmeyer-Peppas equation showed a growing effect of the formulation in DIM. DDDPlus was able to predict tablet dissolution and the intrinsic dissolution profiles in conventional media and DIM. The study showed that disintegration has to occur before DPP-dependent dissolution can happen. The study suggests that disintegration can be used as performance test of rapidly disintegrating tablets beyond the FDA criteria. The scientific criteria and justification is that dissolution has to be DPP dependent, originated from active pharmaceutical ingredient characteristics and formulations factors have to be negligible.

Justification of disintegration testing beyond current FDA criteria using in vitro and in silico models

PubMed Central

Uebbing, Lukas; Klumpp, Lukas; Webster, Gregory K; Löbenberg, Raimar

2017-01-01

Drug product performance testing is an important part of quality-by-design approaches, but this process often lacks the underlying mechanistic understanding of the complex interactions between the disintegration and dissolution processes involved. Whereas a recent draft guideline by the US Food and Drug Administration (FDA) has allowed the replacement of dissolution testing with disintegration testing, the mentioned criteria are not globally accepted. This study provides scientific justification for using disintegration testing rather than dissolution testing as a quality control method for certain immediate release (IR) formulations. A mechanistic approach, which is beyond the current FDA criteria, is presented. Dissolution testing via United States Pharmacopeial Convention Apparatus II at various paddle speeds was performed for immediate and extended release formulations of metronidazole. Dissolution profile fitting via DDSolver and dissolution profile predictions via DDDPlus™ were performed. The results showed that Fickian diffusion and drug particle properties (DPP) were responsible for the dissolution of the IR tablets, and that formulation factors (eg, coning) impacted dissolution only at lower rotation speeds. Dissolution was completely formulation controlled if extended release tablets were tested and DPP were not important. To demonstrate that disintegration is the most important dosage form attribute when dissolution is DPP controlled, disintegration, intrinsic dissolution and dissolution testing were performed in conventional and disintegration impacting media (DIM). Tablet disintegration was affected by DIM and model fitting to the Korsmeyer–Peppas equation showed a growing effect of the formulation in DIM. DDDPlus was able to predict tablet dissolution and the intrinsic dissolution profiles in conventional media and DIM. The study showed that disintegration has to occur before DPP-dependent dissolution can happen. The study suggests that disintegration can be used as performance test of rapidly disintegrating tablets beyond the FDA criteria. The scientific criteria and justification is that dissolution has to be DPP dependent, originated from active pharmaceutical ingredient characteristics and formulations factors have to be negligible. PMID:28442890

Shrinkage modeling of concrete reinforced by palm fibres in hot dry environments

NASA Astrophysics Data System (ADS)

Akchiche, Hamida; Kriker, Abdelouahed

2017-02-01

The cement materials, such as concrete and conventional mortar present very little resistance to traction and cracking, these hydraulic materials which induces large withdrawals on materials and cracks in structures. The hot dry environments such as: the Saharan regions of Algeria, Indeed, concrete structures in these regions are very fragile, and present high shrinkage. Strengthening of these materials by fibers can provide technical solutions for improving the mechanical performance. The aim of this study is firstly, to reduce the shrinkage of conventional concrete with its reinforcement with date palm fibers. In fact, Algeria has an extraordinary resources in natural fibers (from Palm, Abaca, Hemp) but without valorization in practical areas, especially in building materials. Secondly, to model the shrinkage behavior of concrete was reinforced by date palm fibers. In the literature, several models for still fiber concrete were founded but few are offers for natural fiber concretes. To do so, a still fiber concretes model of YOUNG - CHERN was used. According to the results, a reduction of shrinkage with reinforcement by date palm fibers was showed. A good ability of molding of shrinkage of date palm reinforced concrete with YOUNG - CHERN Modified model was obtained. In fact, a good correlation between experimental data and the model data was recorded.

Understanding the Effects of Dissolution on the Mg/Ca Paleothermometer in Planktic Foraminifera: Evidence From a Novel Individual Foraminifera Method

NASA Astrophysics Data System (ADS)

Rongstad, Brigitta L.; Marchitto, Thomas M.; Herguera, Juan Carlos

2017-12-01

It is well documented that partial dissolution of planktic foraminiferal tests results in a reduction of Mg/Ca ratios, and hence of inferred calcification temperatures; however, traditional analysis techniques have made it difficult to identify the exact mechanism through which Mg is lost. Three hypotheses have been proposed as models for Mg loss for a given extent of dissolution: (1) a percent loss of Mg in individuals, (2) a molar loss of Mg in individuals, and (3) a loss of the highest-Mg (warmest) individuals from a population. It is vital to better constrain these models as they have very different implications for Mg/Ca paleotemperature dissolution corrections. Here we use a novel individual foraminifera Mg/Ca method to examine the effects of dissolution on the Mg/Ca paleothermometer in three species of planktic foraminifera, Globigerinoides ruber, Neogloboquadrina dutertrei, and Pulleniatina obliquiloculata, from a depth transect of core tops on the Ontong Java Plateau in the western equatorial Pacific. With the exception of the most heavily dissolved population of P. obliquiloculata, our data best support a percent Mg loss model as indicated by the preservation of inferred temperature distribution shapes among the sampled populations and the close fit of the simulated percent Mg loss model to the observed data. Coupled with estimates for foraminiferal dissolution, identification of the percent Mg loss model will allow for more accurate dissolution corrections in Mg/Ca paleothermometry work.

The Dissolution Behavior of Borosilicate Glasses in Far-From Equilibrium Conditions

DOE PAGES

Neeway, James J.; Rieke, Peter C.; Parruzot, Benjamin P.; ...

2018-02-10

An area of agreement in the waste glass corrosion community is that, at far-from-equilibrium conditions, the dissolution of borosilicate glasses used to immobilize nuclear waste is known to be a function of both temperature and pH. The aim of this work is to study the effects of temperature and pH on the dissolution rate of three model nuclear waste glasses (SON68, ISG, AFCI). The dissolution rate data are then used to parameterize a kinetic rate model based on Transition State Theory that has been developed to model glass corrosion behavior in dilute conditions. To do this, experiments were conducted atmore » temperatures of 23, 40, 70, and 90 °C and pH(22 °C) values of 9, 10, 11, and 12 with the single-pass flow-through (SPFT) test method. Both the absolute dissolution rates and the rate model parameters are compared with previous results. Rate model parameters for the three glasses studied here are nearly equivalent within error and in relative agreement with previous studies though quantifiable differences exist. The glass dissolution rates were analyzed with a linear multivariate regression (LMR) and a nonlinear multivariate regression performed with the use of the Glass Corrosion Modeling Tool (GCMT), with which a robust uncertainty analysis is performed. This robust analysis highlights the high degree of correlation of various parameters in the kinetic rate model. As more data are obtained on borosilicate glasses with varying compositions, a mathematical description of the effect of glass composition on the rate parameter values should be possible. This would allow for the possibility of calculating the forward dissolution rate of glass based solely on composition. In addition, the method of determination of parameter uncertainty and correlation provides a framework for other rate models that describe the dissolution rates of other amorphous and crystalline materials in a wide range of chemical conditions. As a result, the higher level of uncertainty analysis would provide a basis for comparison of different rate models and allow for a better means of quantifiably comparing the various models.« less

The dissolution behavior of borosilicate glasses in far-from equilibrium conditions

NASA Astrophysics Data System (ADS)

Neeway, James J.; Rieke, Peter C.; Parruzot, Benjamin P.; Ryan, Joseph V.; Asmussen, R. Matthew

2018-04-01

An area of agreement in the waste glass corrosion community is that, at far-from-equilibrium conditions, the dissolution of borosilicate glasses used to immobilize nuclear waste is known to be a function of both temperature and pH. The aim of this work is to study the effects of temperature and pH on the dissolution rate of three model nuclear waste glasses (SON68, ISG, AFCI). The dissolution rate data are then used to parameterize a kinetic rate model based on Transition State Theory that has been developed to model glass corrosion behavior in dilute conditions. To do this, experiments were conducted at temperatures of 23, 40, 70, and 90 °C and pH (22 °C) values of 9, 10, 11, and 12 with the single-pass flow-through (SPFT) test method. Both the absolute dissolution rates and the rate model parameters are compared with previous results. Rate model parameters for the three glasses studied here are nearly equivalent within error and in relative agreement with previous studies though quantifiable differences exist. The glass dissolution rates were analyzed with a linear multivariate regression (LMR) and a nonlinear multivariate regression performed with the use of the Glass Corrosion Modeling Tool (GCMT), with which a robust uncertainty analysis is performed. This robust analysis highlights the high degree of correlation of various parameters in the kinetic rate model. As more data are obtained on borosilicate glasses with varying compositions, a mathematical description of the effect of glass composition on the rate parameter values should be possible. This would allow for the possibility of calculating the forward dissolution rate of glass based solely on composition. In addition, the method of determination of parameter uncertainty and correlation provides a framework for other rate models that describe the dissolution rates of other amorphous and crystalline materials in a wide range of chemical conditions. The higher level of uncertainty analysis would provide a basis for comparison of different rate models and allow for a better means of quantifiably comparing the various models.

The Dissolution Behavior of Borosilicate Glasses in Far-From Equilibrium Conditions

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neeway, James J.; Rieke, Peter C.; Parruzot, Benjamin P.

An area of agreement in the waste glass corrosion community is that, at far-from-equilibrium conditions, the dissolution of borosilicate glasses used to immobilize nuclear waste is known to be a function of both temperature and pH. The aim of this work is to study the effects of temperature and pH on the dissolution rate of three model nuclear waste glasses (SON68, ISG, AFCI). The dissolution rate data are then used to parameterize a kinetic rate model based on Transition State Theory that has been developed to model glass corrosion behavior in dilute conditions. To do this, experiments were conducted atmore » temperatures of 23, 40, 70, and 90 °C and pH(22 °C) values of 9, 10, 11, and 12 with the single-pass flow-through (SPFT) test method. Both the absolute dissolution rates and the rate model parameters are compared with previous results. Rate model parameters for the three glasses studied here are nearly equivalent within error and in relative agreement with previous studies though quantifiable differences exist. The glass dissolution rates were analyzed with a linear multivariate regression (LMR) and a nonlinear multivariate regression performed with the use of the Glass Corrosion Modeling Tool (GCMT), with which a robust uncertainty analysis is performed. This robust analysis highlights the high degree of correlation of various parameters in the kinetic rate model. As more data are obtained on borosilicate glasses with varying compositions, a mathematical description of the effect of glass composition on the rate parameter values should be possible. This would allow for the possibility of calculating the forward dissolution rate of glass based solely on composition. In addition, the method of determination of parameter uncertainty and correlation provides a framework for other rate models that describe the dissolution rates of other amorphous and crystalline materials in a wide range of chemical conditions. As a result, the higher level of uncertainty analysis would provide a basis for comparison of different rate models and allow for a better means of quantifiably comparing the various models.« less

Effect of Micro-Teaching Practices with Concrete Models on Pre-Service Mathematics Teachers' Self-Efficacy Beliefs about Using Concrete Models

ERIC Educational Resources Information Center

Ünlü, Melihan

2018-01-01

The purpose of the current study was to investigate the effect of micro-teaching practices with concrete models on the pre-service teachers' self-efficacy beliefs about using concrete models and to determine the opinions of the pre-service teachers about this issue. In the current study, one of the mixed methods, the convergent design (embedded)…

Dissolution of spherical cap CO2 bubbles attached to flat surfaces in air-saturated water

NASA Astrophysics Data System (ADS)

Peñas, Pablo; Parrales, Miguel A.; Rodriguez-Rodriguez, Javier

2014-11-01

Bubbles attached to flat surfaces immersed in quiescent liquid environments often display a spherical cap (SC) shape. Their dissolution is a phenomenon commonly observed experimentally. Modelling these bubbles as fully spherical may lead to an inaccurate estimate of the bubble dissolution rate. We develop a theoretical model for the diffusion-driven dissolution or growth of such multi-component SC gas bubbles under constant pressure and temperature conditions. Provided the contact angle of the bubble with the surface is large, the concentration gradients in the liquid may be approximated as spherically symmetric. The area available for mass transfer depends on the instantaneous bubble contact angle, whose dynamics is computed from the adhesion hysteresis model [Hong et al., Langmuir, vol. 27, 6890-6896 (2011)]. Numerical simulations and experimental measurements on the dissolution of SC CO2 bubbles immersed in air-saturated water support the validity of our model. We verify that contact line pinning slows down the dissolution rate, and the fact that any bubble immersed in a saturated gas-liquid solution eventually attains a final equilibrium size. Funded by the Spanish Ministry of Economy and Competitiveness through Grant DPI2011-28356-C03-0.

Light Water Reactor Sustainability Program: Survey of Models for Concrete Degradation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Spencer, Benjamin W.; Huang, Hai

Concrete is widely used in the construction of nuclear facilities because of its structural strength and its ability to shield radiation. The use of concrete in nuclear facilities for containment and shielding of radiation and radioactive materials has made its performance crucial for the safe operation of the facility. As such, when life extension is considered for nuclear power plants, it is critical to have predictive tools to address concerns related to aging processes of concrete structures and the capacity of structures subjected to age-related degradation. The goal of this report is to review and document the main aging mechanismsmore » of concern for concrete structures in nuclear power plants (NPPs) and the models used in simulations of concrete aging and structural response of degraded concrete structures. This is in preparation for future work to develop and apply models for aging processes and response of aged NPP concrete structures in the Grizzly code. To that end, this report also provides recommendations for developing more robust predictive models for aging effects of performance of concrete.« less

Upscaling Cement Paste Microstructure to Obtain the Fracture, Shear, and Elastic Concrete Mechanical LDPM Parameters.

PubMed

Sherzer, Gili; Gao, Peng; Schlangen, Erik; Ye, Guang; Gal, Erez

2017-02-28

Modeling the complex behavior of concrete for a specific mixture is a challenging task, as it requires bridging the cement scale and the concrete scale. We describe a multiscale analysis procedure for the modeling of concrete structures, in which material properties at the macro scale are evaluated based on lower scales. Concrete may be viewed over a range of scale sizes, from the atomic scale (10 -10 m), which is characterized by the behavior of crystalline particles of hydrated Portland cement, to the macroscopic scale (10 m). The proposed multiscale framework is based on several models, including chemical analysis at the cement paste scale, a mechanical lattice model at the cement and mortar scales, geometrical aggregate distribution models at the mortar scale, and the Lattice Discrete Particle Model (LDPM) at the concrete scale. The analysis procedure starts from a known chemical and mechanical set of parameters of the cement paste, which are then used to evaluate the mechanical properties of the LDPM concrete parameters for the fracture, shear, and elastic responses of the concrete. Although a macroscopic validation study of this procedure is presented, future research should include a comparison to additional experiments in each scale.

Upscaling Cement Paste Microstructure to Obtain the Fracture, Shear, and Elastic Concrete Mechanical LDPM Parameters

PubMed Central

Sherzer, Gili; Gao, Peng; Schlangen, Erik; Ye, Guang; Gal, Erez

2017-01-01

Modeling the complex behavior of concrete for a specific mixture is a challenging task, as it requires bridging the cement scale and the concrete scale. We describe a multiscale analysis procedure for the modeling of concrete structures, in which material properties at the macro scale are evaluated based on lower scales. Concrete may be viewed over a range of scale sizes, from the atomic scale (10−10 m), which is characterized by the behavior of crystalline particles of hydrated Portland cement, to the macroscopic scale (10 m). The proposed multiscale framework is based on several models, including chemical analysis at the cement paste scale, a mechanical lattice model at the cement and mortar scales, geometrical aggregate distribution models at the mortar scale, and the Lattice Discrete Particle Model (LDPM) at the concrete scale. The analysis procedure starts from a known chemical and mechanical set of parameters of the cement paste, which are then used to evaluate the mechanical properties of the LDPM concrete parameters for the fracture, shear, and elastic responses of the concrete. Although a macroscopic validation study of this procedure is presented, future research should include a comparison to additional experiments in each scale. PMID:28772605

A probabilistic mechanical model for prediction of aggregates’ size distribution effect on concrete compressive strength

NASA Astrophysics Data System (ADS)

Miled, Karim; Limam, Oualid; Sab, Karam

2012-06-01

To predict aggregates' size distribution effect on the concrete compressive strength, a probabilistic mechanical model is proposed. Within this model, a Voronoi tessellation of a set of non-overlapping and rigid spherical aggregates is used to describe the concrete microstructure. Moreover, aggregates' diameters are defined as statistical variables and their size distribution function is identified to the experimental sieve curve. Then, an inter-aggregate failure criterion is proposed to describe the compressive-shear crushing of the hardened cement paste when concrete is subjected to uniaxial compression. Using a homogenization approach based on statistical homogenization and on geometrical simplifications, an analytical formula predicting the concrete compressive strength is obtained. This formula highlights the effects of cement paste strength and aggregates' size distribution and volume fraction on the concrete compressive strength. According to the proposed model, increasing the concrete strength for the same cement paste and the same aggregates' volume fraction is obtained by decreasing both aggregates' maximum size and the percentage of coarse aggregates. Finally, the validity of the model has been discussed through a comparison with experimental results (15 concrete compressive strengths ranging between 46 and 106 MPa) taken from literature and showing a good agreement with the model predictions.

Thin film modeling of crystal dissolution and growth in confinement.

PubMed

Gagliardi, Luca; Pierre-Louis, Olivier

2018-01-01

We present a continuum model describing dissolution and growth of a crystal contact confined against a substrate. Diffusion and hydrodynamics in the liquid film separating the crystal and the substrate are modeled within the lubrication approximation. The model also accounts for the disjoining pressure and surface tension. Within this framework, we obtain evolution equations which govern the nonequilibrium dynamics of the crystal interface. Based on this model, we explore the problem of dissolution under an external load, known as pressure solution. We find that in steady state, diverging (power-law) crystal-surface repulsions lead to flat contacts with a monotonic increase of the dissolution rate as a function of the load. Forces induced by viscous dissipation then surpass those due to disjoining pressure at large enough loads. In contrast, finite repulsions (exponential) lead to sharp pointy contacts with a dissolution rate independent of the load and the liquid viscosity. Ultimately, in steady state, the crystal never touches the substrate when pressed against it. This result is independent from the nature of the crystal-surface interaction due to the combined effects of viscosity and surface tension.

Thin film modeling of crystal dissolution and growth in confinement

NASA Astrophysics Data System (ADS)

Gagliardi, Luca; Pierre-Louis, Olivier

2018-01-01

We present a continuum model describing dissolution and growth of a crystal contact confined against a substrate. Diffusion and hydrodynamics in the liquid film separating the crystal and the substrate are modeled within the lubrication approximation. The model also accounts for the disjoining pressure and surface tension. Within this framework, we obtain evolution equations which govern the nonequilibrium dynamics of the crystal interface. Based on this model, we explore the problem of dissolution under an external load, known as pressure solution. We find that in steady state, diverging (power-law) crystal-surface repulsions lead to flat contacts with a monotonic increase of the dissolution rate as a function of the load. Forces induced by viscous dissipation then surpass those due to disjoining pressure at large enough loads. In contrast, finite repulsions (exponential) lead to sharp pointy contacts with a dissolution rate independent of the load and the liquid viscosity. Ultimately, in steady state, the crystal never touches the substrate when pressed against it. This result is independent from the nature of the crystal-surface interaction due to the combined effects of viscosity and surface tension.

Damage evaluation of reinforced concrete frame based on a combined fiber beam model

NASA Astrophysics Data System (ADS)

Shang, Bing; Liu, ZhanLi; Zhuang, Zhuo

2014-04-01

In order to analyze and simulate the impact collapse or seismic response of the reinforced concrete (RC) structures, a combined fiber beam model is proposed by dividing the cross section of RC beam into concrete fiber and steel fiber. The stress-strain relationship of concrete fiber is based on a model proposed by concrete codes for concrete structures. The stress-strain behavior of steel fiber is based on a model suggested by others. These constitutive models are implemented into a general finite element program ABAQUS through the user defined subroutines to provide effective computational tools for the inelastic analysis of RC frame structures. The fiber model proposed in this paper is validated by comparing with experiment data of the RC column under cyclical lateral loading. The damage evolution of a three-dimension frame subjected to impact loading is also investigated.

A functional relation for field-scale nonaqueous phase liquid dissolution developed using a pore network model

USGS Publications Warehouse

Dillard, L.A.; Essaid, H.I.; Blunt, M.J.

2001-01-01

A pore network model with cubic chambers and rectangular tubes was used to estimate the nonaqueous phase liquid (NAPL) dissolution rate coefficient, Kdissai, and NAPL/water total specific interfacial area, ai. Kdissai was computed as a function of modified Peclet number (Pe???) for various NAPL saturations (SN) and ai during drainage and imbibition and during dissolution without displacement. The largest contributor to ai was the interfacial area in the water-filled corners of chambers and tubes containing NAPL. When Kdissai was divided by ai, the resulting curves of dissolution coefficient, Kdiss versus Pe??? suggested that an approximate value of Kdiss could be obtained as a weak function of hysteresis or SN. Spatially and temporally variable maps of Kdissai calculated using the network model were used in field-scale simulations of NAPL dissolution. These simulations were compared to simulations using a constant value of Kdissai and the empirical correlation of Powers et al. [Water Resour. Res. 30(2) (1994b) 321]. Overall, a methodology was developed for incorporating pore-scale processes into field-scale prediction of NAPL dissolution. Copyright ?? 2001 .

Modeling the dynamic stiffness of cracked reinforced concrete beams under low-amplitude vibration loads

NASA Astrophysics Data System (ADS)

Xu, Tengfei; Castel, Arnaud

2016-04-01

In this paper, a model, initially developed to calculate the stiffness of cracked reinforced concrete beams under static loading, is used to assess the dynamic stiffness. The model allows calculating the average inertia of cracked beams by taking into account the effect of bending cracks (primary cracks) and steel-concrete bond damage (i.e. interfacial microcracks). Free and forced vibration experiments are used to assess the performance of the model. The respective influence of bending cracks and steel-concrete bond damage on both static and dynamic responses is analyzed. The comparison between experimental and simulated deflections confirms that the effects of both bending cracks and steel-concrete bond loss should be taken into account to assess reinforced concrete stiffness under service static loading. On the contrary, comparison of experimental and calculated dynamic responses reveals that localized steel-concrete bond damages do not influence significantly the dynamic stiffness and the fundamental frequency.

Automated Dissolution for Enteric-Coated Aspirin Tablets: A Case Study for Method Transfer to a RoboDis II.

PubMed

Ibrahim, Sarah A; Martini, Luigi

2014-08-01

Dissolution method transfer is a complicated yet common process in the pharmaceutical industry. With increased pharmaceutical product manufacturing and dissolution acceptance requirements, dissolution testing has become one of the most labor-intensive quality control testing methods. There is an increased trend for automation in dissolution testing, particularly for large pharmaceutical companies to reduce variability and increase personnel efficiency. There is no official guideline for dissolution testing method transfer from a manual, semi-automated, to automated dissolution tester. In this study, a manual multipoint dissolution testing procedure for an enteric-coated aspirin tablet was transferred effectively and reproducibly to a fully automated dissolution testing device, RoboDis II. Enteric-coated aspirin samples were used as a model formulation to assess the feasibility and accuracy of media pH change during continuous automated dissolution testing. Several RoboDis II parameters were evaluated to ensure the integrity and equivalency of dissolution method transfer from a manual dissolution tester. This current study provides a systematic outline for the transfer of the manual dissolution testing protocol to an automated dissolution tester. This study further supports that automated dissolution testers compliant with regulatory requirements and similar to manual dissolution testers facilitate method transfer. © 2014 Society for Laboratory Automation and Screening.

Discriminative Dissolution Method for Benzoyl Metronidazole Oral Suspension.

PubMed

da Silva, Aline Santos; da Rosa Silva, Carlos Eduardo; Paula, Fávero Reisdorfer; da Silva, Fabiana Ernestina Barcellos

2016-06-01

A dissolution method for benzoyl metronidazole (BMZ) oral suspensions was developed and validated using a high-performance liquid chromatography (HPLC) method. After determination of sink conditions, dissolution profiles were evaluated using different dissolution media and agitation speeds. The sample insertion mode in dissolution media was also evaluated. The best conditions were obtained using a paddle, 50 rpm stirring speed, simulated gastric fluid (without pepsin) as the dissolution medium, and sample insertion by a syringe. These conditions were suitable for providing sink conditions and discriminatory power between different formulations. Through the tested conditions, the results can be considered specific, linear, precise, accurate, and robust. The dissolution profiles of five samples were compared using the similarity factor (f 2) and dissolution efficiency. The dissolution kinetics were evaluated and described by the Weibull model. Whereas there is no monograph for this pharmaceutical formulation, the dissolution method proposed can be considered suitable for quality control and dissolution profile comparison of different commercial formulations.

A probabilistic assessment of calcium carbonate export and dissolution in the modern ocean

NASA Astrophysics Data System (ADS)

Battaglia, Gianna; Steinacher, Marco; Joos, Fortunat

2016-05-01

The marine cycle of calcium carbonate (CaCO3) is an important element of the carbon cycle and co-governs the distribution of carbon and alkalinity within the ocean. However, CaCO3 export fluxes and mechanisms governing CaCO3 dissolution are highly uncertain. We present an observationally constrained, probabilistic assessment of the global and regional CaCO3 budgets. Parameters governing pelagic CaCO3 export fluxes and dissolution rates are sampled using a Monte Carlo scheme to construct a 1000-member ensemble with the Bern3D ocean model. Ensemble results are constrained by comparing simulated and observation-based fields of excess dissolved calcium carbonate (TA*). The minerals calcite and aragonite are modelled explicitly and ocean-sediment fluxes are considered. For local dissolution rates, either a strong or a weak dependency on CaCO3 saturation is assumed. In addition, there is the option to have saturation-independent dissolution above the saturation horizon. The median (and 68 % confidence interval) of the constrained model ensemble for global biogenic CaCO3 export is 0.90 (0.72-1.05) Gt C yr-1, that is within the lower half of previously published estimates (0.4-1.8 Gt C yr-1). The spatial pattern of CaCO3 export is broadly consistent with earlier assessments. Export is large in the Southern Ocean, the tropical Indo-Pacific, the northern Pacific and relatively small in the Atlantic. The constrained results are robust across a range of diapycnal mixing coefficients and, thus, ocean circulation strengths. Modelled ocean circulation and transport timescales for the different set-ups were further evaluated with CFC11 and radiocarbon observations. Parameters and mechanisms governing dissolution are hardly constrained by either the TA* data or the current compilation of CaCO3 flux measurements such that model realisations with and without saturation-dependent dissolution achieve skill. We suggest applying saturation-independent dissolution rates in Earth system models to minimise computational costs.

Theoretical Analysis of Drug Dissolution: I. Solubility and Intrinsic Dissolution Rate.

PubMed

Shekunov, Boris; Montgomery, Eda Ross

2016-09-01

The first-principles approach presented in this work combines surface kinetics and convective diffusion modeling applied to compounds with pH-dependent solubility and in different dissolution media. This analysis is based on experimental data available for approximately 100 compounds of pharmaceutical interest. Overall, there is a linear relationship between the drug solubility and intrinsic dissolution rate expressed through the total kinetic coefficient of dissolution and dimensionless numbers defining the mass transfer regime. The contribution of surface kinetics appears to be significant constituting on average ∼20% resistance to the dissolution flux in the compendial rotating disk apparatus at 100 rpm. The surface kinetics contribution becomes more dominant under conditions of fast laminar or turbulent flows or in cases when the surface kinetic coefficient may decrease as a function of solution composition or pH. Limitations of the well-known convective diffusion equation for rotating disk by Levich are examined using direct computational modeling with simultaneous dissociation and acid-base reactions in which intrinsic dissolution rate is strongly dependent on pH profile and solution ionic strength. It is shown that concept of diffusion boundary layer does not strictly apply for reacting/interacting species and that thin-film diffusion models cannot be used quantitatively in general case. Copyright © 2016. Published by Elsevier Inc.

Microdamage healing in asphalt and asphalt concrete, volume 3 : a micromechanics fracture and healing model for asphalt concrete.

DOT National Transportation Integrated Search

2001-06-01

Volume 3 documents the development of a micromechanics fracture and healing model for asphalt : concrete. This model can be used to calculate the density and growth of microcracks during repeated direct : tensile controlled-strain loading. The model ...

A kinetic rate model for crystalline basalt dissolution at temperature and pressure conditions relevant for geologic CO2 sequestration

NASA Astrophysics Data System (ADS)

Pollyea, R.; Rimstidt, J. D.

2016-12-01

Geologic carbon sequestration in terrestrial basalt reservoirs is predicated on permanent CO2 trapping through CO2-water-rock dissolution reactions followed by carbonate precipitation. Bench-scale experiments have shown these reaction paths to be rapid, occurring on a timescale 100 - 102 years. Moreover, recent results from the CarbFix basalt sequestration pilot project in Iceland demonstrate >95% CO2 isolation two years after a small-scale injection. In order to assess the viability of basalt sequestration worldwide (e.g., Deccan Traps, Columbia Plateau, etc.), flexible simulation tools are required that distill the dissolution reactions into a user-friendly format that is readily transmissible to existing reactive transport numerical simulators. In the present research, we combine experimental results extant in the literature for Icelandic basalt to develop kinetic rate models describing the pH-dependent dissolution of (1) basaltic glass and (2) an aggregate mineral assemblage for crystalline basalt comprising olivine, pyroxene, and plagioclase phases. In order to utilize these kinetic rate models with numerical simulation, a thermodynamic solubility model for each phase is developed for use with the reactive transport simulation code, TOUGHREACT. We use reactive transport simulation in a simple 1-D reactor to compare dissolution of the aggregate crystalline basalt phase with the traditional formulation comprising individual mineral phases for the crystalline basalt. Simulation results are in general agreement, illustrating the efficacy of this simplified approach for modeling basalt dissolution at temperature and pressure conditions typical of geologic CO2 reservoirs. Moreover, this approach may be of value to investigators seeking dissolution models for crystalline basalt in other mafic provinces.

Effect of zinc phosphate chemical conversion coating on corrosion behaviour of mild steel in alkaline medium: protection of rebars in reinforced concrete.

PubMed

Simescu, Florica; Idrissi, Hassane

2008-12-01

We outline the ability of zinc phosphate coatings, obtained by chemical conversion, to protect mild steel rebars against localized corrosion, generated by chloride ions in alkaline media. The corrosion resistance of coated steel, in comparison with uncoated rebars and coated and uncoated steel rebars embedded in mortar, were evaluated by open-circuit potential, potentiodynamic polarization, cronoamperometry and electrochemical impedance spectroscopy. The coated surfaces were characterized by x-ray diffraction and scanning electron microscopy. First, coated mild steel rebars were studied in an alkaline solution with and without chloride simulating a concrete pore solution. The results showed that the slow dissolution of the coating generates hydroxyapatite Ca 10 (PO 4 ) 6 (OH) 2 . After a long immersion, the coating became dense and provided an effective corrosion resistance compared with the mild steel rebar. Secondly, the coated and uncoated steel rebars embedded in mortar and immersed in chloride solution showed no corrosion or deterioration of the coated steel. Corrosion rate is considerably lowered by this phosphate coating.

Effect of zinc phosphate chemical conversion coating on corrosion behaviour of mild steel in alkaline medium: protection of rebars in reinforced concrete

NASA Astrophysics Data System (ADS)

Simescu, Florica; Idrissi, Hassane

2008-12-01

We outline the ability of zinc phosphate coatings, obtained by chemical conversion, to protect mild steel rebars against localized corrosion, generated by chloride ions in alkaline media. The corrosion resistance of coated steel, in comparison with uncoated rebars and coated and uncoated steel rebars embedded in mortar, were evaluated by open-circuit potential, potentiodynamic polarization, cronoamperometry and electrochemical impedance spectroscopy. The coated surfaces were characterized by x-ray diffraction and scanning electron microscopy. First, coated mild steel rebars were studied in an alkaline solution with and without chloride simulating a concrete pore solution. The results showed that the slow dissolution of the coating generates hydroxyapatite Ca10(PO4)6(OH)2. After a long immersion, the coating became dense and provided an effective corrosion resistance compared with the mild steel rebar. Secondly, the coated and uncoated steel rebars embedded in mortar and immersed in chloride solution showed no corrosion or deterioration of the coated steel. Corrosion rate is considerably lowered by this phosphate coating.

Effect of zinc phosphate chemical conversion coating on corrosion behaviour of mild steel in alkaline medium: protection of rebars in reinforced concrete

PubMed Central

Simescu, Florica; Idrissi, Hassane

2008-01-01

We outline the ability of zinc phosphate coatings, obtained by chemical conversion, to protect mild steel rebars against localized corrosion, generated by chloride ions in alkaline media. The corrosion resistance of coated steel, in comparison with uncoated rebars and coated and uncoated steel rebars embedded in mortar, were evaluated by open-circuit potential, potentiodynamic polarization, cronoamperometry and electrochemical impedance spectroscopy. The coated surfaces were characterized by x-ray diffraction and scanning electron microscopy. First, coated mild steel rebars were studied in an alkaline solution with and without chloride simulating a concrete pore solution. The results showed that the slow dissolution of the coating generates hydroxyapatite Ca10(PO4)6(OH)2. After a long immersion, the coating became dense and provided an effective corrosion resistance compared with the mild steel rebar. Secondly, the coated and uncoated steel rebars embedded in mortar and immersed in chloride solution showed no corrosion or deterioration of the coated steel. Corrosion rate is considerably lowered by this phosphate coating. PMID:27878037

Microdamage healing in asphalt and asphalt concrete, Volume 3 : a micromechanics fracture and healing model for asphalt concrete

DOT National Transportation Integrated Search

2001-06-01

Volume 3 documents the development of a micromechanics fracture and healing model for asphalt concrete. This model can be used to calculate the density and growth of microcracks during repeated direct tensile controlled-strain loading. The model is b...

Groundwater flow and its effect on salt dissolution in Gypsum Canyon watershed, Paradox Basin, southeast Utah, USA

NASA Astrophysics Data System (ADS)

Reitman, Nadine G.; Ge, Shemin; Mueller, Karl

2014-09-01

Groundwater flow is an important control on subsurface evaporite (salt) dissolution. Salt dissolution can drive faulting and associated subsidence on the land surface and increase salinity in groundwater. This study aims to understand the groundwater flow system of Gypsum Canyon watershed in the Paradox Basin, Utah, USA, and whether or not groundwater-driven dissolution affects surface deformation. The work characterizes the groundwater flow and solute transport systems of the watershed using a three-dimensional (3D) finite element flow and transport model, SUTRA. Spring samples were analyzed for stable isotopes of water and total dissolved solids. Spring water and hydraulic conductivity data provide constraints for model parameters. Model results indicate that regional groundwater flow is to the northwest towards the Colorado River, and shallow flow systems are influenced by topography. The low permeability obtained from laboratory tests is inconsistent with field observed discharges, supporting the notion that fracture permeability plays a significant role in controlling groundwater flow. Model output implies that groundwater-driven dissolution is small on average, and cannot account for volume changes in the evaporite deposits that could cause surface deformation, but it is speculated that dissolution may be highly localized and/or weaken evaporite deposits, and could lead to surface deformation over time.

Role of fiber dissolution in biological activity in rats.

PubMed

Eastes, W; Hadley, J G

1994-12-01

This report deals with the role of dissolution in removing long fibers from the lung and with a mathematical model that predicts chronic effects in rats following inhalation or intraperitoneal (i.p.) injection of fibers. Results of intratracheal instillation studies and inhalation studies in rats demonstrate clearly that long vitreous fibers dissolve in vivo at about the same rate measured in vitro in fluid designed to stimulate the extracellular lung fluid. For the glass, rock, and slag wool fibers tested, dissolution removed most of the fibers longer than 20 microns inhaled into the rats' lungs within 6 months after both short-term (5 days) and long-term (1 to 2 years) exposures. A mathematical model was developed that is based on fiber dissolution and allows one to predict the development of chronic lung diseases in rats. The model predicted the incidence of fibrosis and lung tumors in a series of recent inhalation studies and tumors following ip injection to within about the error of the experiments. The model suggests that all fibers, regardless of their dissolution rate in lung fluid, can produce tumors after ip injection because the dose can be unlimited by this route. After inhalation, in contrast, dissolution of many types of long vitreous fibers occurs rapidly, and disease does not ensue for these fibers.

Does the stepwave model predict mica dissolution kinetics?

NASA Astrophysics Data System (ADS)

Kurganskaya, Inna; Arvidson, Rolf S.; Fischer, Cornelius; Luttge, Andreas

2012-11-01

The micas are a unique class of minerals because of their layered structure. A frequent question arising in mica dissolution studies is whether this layered structure radically changes the dissolution mechanism. We address this question here, using data from VSI and AFM experiments involving muscovite to evaluate crystallographic controls on mica dissolution. These data provide insight into the dissolution process, and reveal important links to patterns of dissolution observed in framework minerals. Under our experimental conditions (pH 9.4, 155 °C), the minimal global rate of normal surface retreat observed in VSI data was 1.42 × 10-10 mol/m2/s (σ = 27%) while the local rate observed at deep etch pits reached 416 × 10-10 mol/m2/s (σ = 49%). Complementary AFM data clearly show crystallographic control of mica dissolution, both in terms of step advance and the geometric influence of interlayer rotation (stacking periodicity). These observations indicate that basal/edge surface area ratios are highly variable and change continuously over the course of reaction, thus obviating their utility as characteristic parameters defining mica reactivity. Instead, these observations of overall dissolution rate and the influence of screw dislocations illustrate the link between atomic step movement and overall dissolution rate defined by surface retreat normal to the mica surface. Considered in light of similar observations available elsewhere in the literature, these relationships provide support for application of the stepwave model to mica dissolution kinetics. This approach provides a basic mechanistic link between the dissolution kinetics of phyllosilicates, framework silicates, and related minerals, and suggests a resolution to the general problem of mica reactivity.

Comparison of Dissolution Similarity Assessment Methods for Products with Large Variations: f2 Statistics and Model-Independent Multivariate Confidence Region Procedure for Dissolution Profiles of Multiple Oral Products.

PubMed

Yoshida, Hiroyuki; Shibata, Hiroko; Izutsu, Ken-Ichi; Goda, Yukihiro

2017-01-01

The current Japanese Ministry of Health Labour and Welfare (MHLW)'s Guideline for Bioequivalence Studies of Generic Products uses averaged dissolution rates for the assessment of dissolution similarity between test and reference formulations. This study clarifies how the application of model-independent multivariate confidence region procedure (Method B), described in the European Medical Agency and U.S. Food and Drug Administration guidelines, affects similarity outcomes obtained empirically from dissolution profiles with large variations in individual dissolution rates. Sixty-one datasets of dissolution profiles for immediate release, oral generic, and corresponding innovator products that showed large variation in individual dissolution rates in generic products were assessed on their similarity by using the f 2 statistics defined in the MHLW guidelines (MHLW f 2 method) and two different Method B procedures, including a bootstrap method applied with f 2 statistics (BS method) and a multivariate analysis method using the Mahalanobis distance (MV method). The MHLW f 2 and BS methods provided similar dissolution similarities between reference and generic products. Although a small difference in the similarity assessment may be due to the decrease in the lower confidence interval for expected f 2 values derived from the large variation in individual dissolution rates, the MV method provided results different from those obtained through MHLW f 2 and BS methods. Analysis of actual dissolution data for products with large individual variations would provide valuable information towards an enhanced understanding of these methods and their possible incorporation in the MHLW guidelines.

Probabilistic design of fibre concrete structures

NASA Astrophysics Data System (ADS)

Pukl, R.; Novák, D.; Sajdlová, T.; Lehký, D.; Červenka, J.; Červenka, V.

2017-09-01

Advanced computer simulation is recently well-established methodology for evaluation of resistance of concrete engineering structures. The nonlinear finite element analysis enables to realistically predict structural damage, peak load, failure, post-peak response, development of cracks in concrete, yielding of reinforcement, concrete crushing or shear failure. The nonlinear material models can cover various types of concrete and reinforced concrete: ordinary concrete, plain or reinforced, without or with prestressing, fibre concrete, (ultra) high performance concrete, lightweight concrete, etc. Advanced material models taking into account fibre concrete properties such as shape of tensile softening branch, high toughness and ductility are described in the paper. Since the variability of the fibre concrete material properties is rather high, the probabilistic analysis seems to be the most appropriate format for structural design and evaluation of structural performance, reliability and safety. The presented combination of the nonlinear analysis with advanced probabilistic methods allows evaluation of structural safety characterized by failure probability or by reliability index respectively. Authors offer a methodology and computer tools for realistic safety assessment of concrete structures; the utilized approach is based on randomization of the nonlinear finite element analysis of the structural model. Uncertainty of the material properties or their randomness obtained from material tests are accounted in the random distribution. Furthermore, degradation of the reinforced concrete materials such as carbonation of concrete, corrosion of reinforcement, etc. can be accounted in order to analyze life-cycle structural performance and to enable prediction of the structural reliability and safety in time development. The results can serve as a rational basis for design of fibre concrete engineering structures based on advanced nonlinear computer analysis. The presented methodology is illustrated on results from two probabilistic studies with different types of concrete structures related to practical applications and made from various materials (with the parameters obtained from real material tests).

Model calculation of Cr dissolution behavior of ODS ferritic steel in high-temperature flowing sodium environment

NASA Astrophysics Data System (ADS)

Ohtsuka, Satoshi; Tanno, Takashi; Oka, Hiroshi; Yano, Yasuhide; Kato, Shoichi; Furukawa, Tomohiro; Kaito, Takeji

2018-07-01

A calculation model was constructed to systematically study the effects of environmental conditions (i.e. Cr concentration in sodium, test temperature, axial temperature gradient of fuel pin, and sodium flow velocity) on Cr dissolution behavior. Chromium dissolution was largely influenced by small changes in Cr concentration (i.e. chemical potential of Cr) in liquid sodium in the model calculation. Chromium concentration in sodium coolant, therefore, should be recognized as a critical parameter for the prediction and management of Cr dissolution behavior in the sodium-cooled fast reactor (SFR) core. Because the fuel column length showed no impact on dissolution behavior in the model calculation, no significant downstream effects possibly take place in the SFR fuel cladding tube due to the much shorter length compared with sodium loops in the SFR plant and the large axial temperature gradient. The calculated profile of Cr concentration along the wall-thickness direction was consistent with that measured in BOR-60 irradiation test where Cr concentration in inlet sodium bulk flow was set at 0.07 wt ppm in the calculation.

Concrete Model Descriptions and Summary of Benchmark Studies for Blast Effects Simulations

DOE Office of Scientific and Technical Information (OSTI.GOV)

Noble, C; Kokko, E; Darnell, I

2005-07-21

Concrete is perhaps one of the most widely used construction materials in the world. Engineers use it to build massive concrete dams, concrete waterways, highways, bridges, and even nuclear reactors. The advantages of using concrete is that it can be cast into any desired shape, it is durable, and very economical compared to structural steel. The disadvantages are its low tensile strength, low ductility, and low strength-to-weight ratio. Concrete is a composite material that consists of a coarse granular material, or aggregate, embedded in a hard matrix of material, or cement, which fills the gaps between the aggregates and bindsmore » them together. Concrete properties, however, vary widely. The properties depend on the choice of materials used and the proportions for a particular application, as well as differences in fabrication techniques. Table 1 provides a listing of typical engineering properties for structural concrete. Properties also depend on the level of concrete confinement, or hydrostatic pressure, the material is being subjected to. In general, concrete is rarely subjected to a single axial stress. The material may experience a combination of stresses all acting simultaneously. The behavior of concrete under these combined stresses are, however, extremely difficult to characterize. In addition to the type of loading, one must also consider the stress history of the material. Failure is determined not only by the ultimate stresses, but also by the rate of loading and the order in which these stresses were applied. The concrete model described herein accounts for this complex behavior of concrete. It was developed by Javier Malvar, Jim Wesevich, and John Crawford of Karagozian and Case, and Don Simon of Logicon RDA in support of the Defense Threat Reduction Agency's programs. The model is an enhanced version of the Concrete/Geological Material Model 16 in the Lagrangian finite element code DYNA3D. The modifications that were made to the original model ensured that the material response followed experimental observations for standard uniaxial, biaxial, and triaxial tests for both tension and compression type loading. A disadvantage of using this material model, however, is the overwhelming amount of input that is required from the user. Therefore, the goal of this report is to provide future users with the tools necessary for successfully using this model.« less

Constitutive Models for Design of Sustainable Concrete Structures

NASA Astrophysics Data System (ADS)

Brozovsky, J.; Cajka, R.; Koktan, J.

2018-04-01

The paper deals with numerical models of reinforced concrete which are expected to be useful to enhance design of sustainable reinforced concrete structures. That is, the models which can deliver higher precision of results than the linear elastic models but which are still feasible for engineering practice. Such models can be based on an elastic-plastic material. The paper discusses properties of such models. A material model based of the Chen criteria and the Ohtani hardening model for concrete was selected for further development. There is also given a comparison of behaviour of such model with behaviour of a more complex smeared crack model which is based on principles of fracture mechanics.

Kinetic dissolution of carbonates and Mn oxides in acidic water: Measurement of in situ field rates and reactive transport modeling

USGS Publications Warehouse

Brown, J.G.; Glynn, P.D.

2003-01-01

The kinetics of carbonate and Mn oxide dissolution under acidic conditions were examined through the in situ exposure of pure phase samples to acidic ground water in Pinal Creek Basin, Arizona. The average long-term calculated in situ dissolution rates for calcite and dolomite were 1.65??10-7 and 3.64??10-10 mmol/(cm2 s), respectively, which were about 3 orders of magnitude slower than rates derived in laboratory experiments by other investigators. Application of both in situ and lab-derived calcite and dolomite dissolution rates to equilibrium reactive transport simulations of a column experiment did not improve the fit to measured outflow chemistry: at the spatial and temporal scales of the column experiment, the use of an equilibrium model adequately simulated carbonate dissolution in the column. Pyrolusite (MnO2) exposed to acidic ground water for 595 days increased slightly in weight despite thermodynamic conditions that favored dissolution. This result might be related to a recent finding by another investigator that the reductive dissolution of pyrolusite is accompanied by the precipitation of a mixed Mn-Fe oxide species. In PHREEQC reactive transport simulations, the incorporation of Mn kinetics improved the fit between observed and simulated behavior at the column and field scales, although the column-fitted rate for Mn-oxide dissolution was about 4 orders of magnitude greater than the field-fitted rate. Remaining differences between observed and simulated contaminant transport trends at the Pinal Creek site were likely related to factors other than the Mn oxide dissolution rate, such as the concentration of Fe oxide surface sites available for adsorption, the effects of competition among dissolved species for available surface sites, or reactions not included in the model.

A Model for Dissolution of Lime in Steelmaking Slags

NASA Astrophysics Data System (ADS)

Sarkar, Rahul; Roy, Ushasi; Ghosh, Dinabandhu

2016-08-01

In a previous study by Sarkar et al. (Metall. Mater. Trans. B 46B:961 2015), a dynamic model of the LD steelmaking was developed. The prediction of the previous model (Sarkar et al. in Metall. Mater. Trans. B 46B:961 2015) for the bath (metal) composition matched well with the plant data (Cicutti et al. in Proceedings of 6th International Conference on Molten Slags, Fluxes and Salts, Stockholm City, 2000). However, with respect to the slag composition, the prediction was not satisfactory. The current study aims to improve upon the previous model Sarkar et al. (Metall. Mater. Trans. B 46B:961 2015) by incorporating a lime dissolution submodel into the earlier one. From the industrial point of view, the understanding of the lime dissolution kinetics is important to meet the ever-increasing demand of producing low-P steel at a low basicity. In the current study, three-step kinetics for the lime dissolution is hypothesized on the assumption that a solid layer of 2CaO·SiO2 should form around the unreacted core of the lime. From the available experimental data, it seems improbable that the observed kinetics should be controlled singly by any one kinetic step. Accordingly, a general, mixed control model has been proposed to calculate the dissolution rate of the lime under varying slag compositions and temperatures. First, the rate equation for each of the three rate-controlling steps has been derived, for three different lime geometries. Next, the rate equation for the mixed control kinetics has been derived and solved to find the dissolution rate. The model predictions have been validated by means of the experimental data available in the literature. In addition, the effects of the process conditions on the dissolution rate have been studied, and compared with the experimental results wherever possible. Incorporation of this submodel into the earlier global model (Sarkar et al. in Metall. Mater. Trans. B 46B:961 2015) enables the prediction of the lime dissolution rate in the dynamic system of LD steelmaking. In addition, with the inclusion of this submodel, significant improvement in the prediction of the slag composition during the main blow period has been observed.

Dilution physics modeling: Dissolution/precipitation chemistry

DOE Office of Scientific and Technical Information (OSTI.GOV)

Onishi, Y.; Reid, H.C.; Trent, D.S.

This report documents progress made to date on integrating dilution/precipitation chemistry and new physical models into the TEMPEST thermal-hydraulics computer code. Implementation of dissolution/precipitation chemistry models is necessary for predicting nonhomogeneous, time-dependent, physical/chemical behavior of tank wastes with and without a variety of possible engineered remediation and mitigation activities. Such behavior includes chemical reactions, gas retention, solids resuspension, solids dissolution and generation, solids settling/rising, and convective motion of physical and chemical species. Thus this model development is important from the standpoint of predicting the consequences of various engineered activities, such as mitigation by dilution, retrieval, or pretreatment, that can affectmore » safe operations. The integration of a dissolution/precipitation chemistry module allows the various phase species concentrations to enter into the physical calculations that affect the TEMPEST hydrodynamic flow calculations. The yield strength model of non-Newtonian sludge correlates yield to a power function of solids concentration. Likewise, shear stress is concentration-dependent, and the dissolution/precipitation chemistry calculations develop the species concentration evolution that produces fluid flow resistance changes. Dilution of waste with pure water, molar concentrations of sodium hydroxide, and other chemical streams can be analyzed for the reactive species changes and hydrodynamic flow characteristics.« less

Sustainability and durability analysis of reinforced concrete structures

NASA Astrophysics Data System (ADS)

Horáková, A.; Broukalová, I.; Kohoutková, A.; Vašková, J.

2017-09-01

The article describes an assessment of reinforced concrete structures in terms of durability and sustainable development. There is a short summary of findings from the literature on evaluation methods for environmental impacts and also about corrosive influences acting on the reinforced concrete structure, about factors influencing the durability of these structures and mathematical models describing the corrosion impacts. Variant design of reinforced concrete structure and assessment of these variants in terms of durability and sustainability was performed. The analysed structure was a concrete ceiling structure of a parking house for cars. The variants differ in strength class of concrete and thickness of concrete slab. It was found that in terms of durability and sustainable development it is significantly preferable to use higher class of concrete. There are significant differences in results of concrete structures durability for different mathematical models of corrosive influences.

Dissolution without disappearing: multicomponent gas exchange for CO2 bubbles in a microfluidic channel.

PubMed

Shim, Suin; Wan, Jiandi; Hilgenfeldt, Sascha; Panchal, Prathamesh D; Stone, Howard A

2014-07-21

We studied the dissolution dynamics of CO2 gas bubbles in a microfluidic channel, both experimentally and theoretically. In the experiments, spherical CO2 bubbles in a flow of a solution of sodium dodecyl sulfate (SDS) first shrink rapidly before attaining an equilibrium size. In the rapid dissolution regime, the time to obtain a new equilibrium is 30 ms regardless of SDS concentration, and the equilibrium radius achieved varies with the SDS concentration. To explain the lack of complete dissolution, we interpret the results by considering the effects of other gases (O2, N2) that are already dissolved in the aqueous phase, and we develop a multicomponent dissolution model that includes the effect of surface tension and the liquid pressure drop along the channel. Solutions of the model for a stationary gas bubble show good agreement with the experimental results, which lead to our conclusion that the equilibrium regime is obtained by gas exchange between the bubbles and liquid phase. Also, our observations from experiments and model calculations suggest that SDS molecules on the gas-liquid interface form a diffusion barrier, which controls the dissolution behaviour and the eventual equilibrium radius of the bubble.

Mechanistic Analysis of Cocrystal Dissolution as a Function of pH and Micellar Solubilization

PubMed Central

2016-01-01

The purpose of this work is to provide a mechanistic understanding of the dissolution behavior of cocrystals under the influence of ionization and micellar solubilization. Mass transport models were developed by applying Fick’s law of diffusion to dissolution with simultaneous chemical reactions in the hydrodynamic boundary layer adjacent to the dissolving cocrystal surface to predict the pH at the dissolving solid–liquid interface (i.e., interfacial pH) and the flux of cocrystals. To evaluate the predictive power of these models, dissolution studies of carbamazepine–saccharin (CBZ-SAC) and carbamazepine–salicylic acid (CBZ-SLC) cocrystals were performed at varied pH and surfactant concentrations above the critical stabilization concentration (CSC), where the cocrystals were thermodynamically stable. The findings in this work demonstrate that the pH dependent dissolution behavior of cocrystals with ionizable components is dependent on interfacial pH. This mass transport analysis demonstrates the importance of pH, cocrystal solubility, diffusivity, and micellar solubilization on the dissolution rates of cocrystals. PMID:26877267

Mechanistic Analysis of Cocrystal Dissolution as a Function of pH and Micellar Solubilization.

PubMed

Cao, Fengjuan; Amidon, Gordon L; Rodriguez-Hornedo, Nair; Amidon, Gregory E

2016-03-07

The purpose of this work is to provide a mechanistic understanding of the dissolution behavior of cocrystals under the influence of ionization and micellar solubilization. Mass transport models were developed by applying Fick's law of diffusion to dissolution with simultaneous chemical reactions in the hydrodynamic boundary layer adjacent to the dissolving cocrystal surface to predict the pH at the dissolving solid-liquid interface (i.e., interfacial pH) and the flux of cocrystals. To evaluate the predictive power of these models, dissolution studies of carbamazepine-saccharin (CBZ-SAC) and carbamazepine-salicylic acid (CBZ-SLC) cocrystals were performed at varied pH and surfactant concentrations above the critical stabilization concentration (CSC), where the cocrystals were thermodynamically stable. The findings in this work demonstrate that the pH dependent dissolution behavior of cocrystals with ionizable components is dependent on interfacial pH. This mass transport analysis demonstrates the importance of pH, cocrystal solubility, diffusivity, and micellar solubilization on the dissolution rates of cocrystals.

The Effect of Micro/Nano-metrics Size on the Interaction of Jordanian Aluminosilicate Raw Materials with High pH Solution

NASA Astrophysics Data System (ADS)

Aldabsheh, Islam; Garcia-Valles, Maite; Martinez, Salvador

2014-05-01

Environmental preservation has become a driving force behind the search for new sustainable and environmentally friendly composites to replace conventional concrete produced from ordinary Portland cement (OPC). Current researches concentrate on developing building products (geopolymers) through geopolymerization. The goal is to produce low cost construction materials for green housing. Geopolymerization is the process of polymerizing minerals with high silica and alumina at low temperature by the use of alkali solutions. Dissolution is the most important process for supplying the high initial Al and Si concentrations to produce the gel phase that is responsible for geopolymerization. This study has been focused on the influence of different micrometric particle sizes of three Jordanian raw materials on their dissolution behavior in sodium hydroxide solution. The samples are kaolinite, volcanic tuff and silica sand. The dissolution properties of each material, alone and mixed with the other two materials were studied in different concentrations (5 and 10 M) using (NaOH) at 25ºC, and shaking time for 24 and 168 h. To better understand the dissolution process, the alkaline solution was renewed after the desired time in order to know if the Al-Si raw material is completely dissolved or not. Different analytical techniques were used to characterize raw materials physically, mineralogically, chemically and thermally. All processed samples either centrifuged solutions or solid residues were fully characterized. The leached concentrations of Al and Si were determined by inductively coupled plasma (ICP). X-ray Diffraction Technique (XRD), Scanning Electron Microscopy (SEM), and Thermo Gravimetric Analysis (TGA) were used to evaluate the solid residue characterization compared with the original ones. The three aluminosilicate raw materials have indicated variable degrees of solubility under highly alkaline conditions. The method for the size reduction of the used raw materials achieved by using a ball mill increased the dissolution rate owing to the increased surface area of the material or particle exposed to the solvent. The used Jordanian raw materials are potential to be used for geopolymerization. This work was partly financed by SGR 2009SGR-00444

Modelling the effect of laminar axially directed blood flow on the dissolution of non-occlusive blood clots.

PubMed

Sersa, I; Vidmar, J; Grobelnik, B; Mikac, U; Tratar, G; Blinc, A

2007-06-07

Axially directed blood plasma flow can significantly accelerate thrombolysis of non-occlusive blood clots. Viscous forces caused by shearing of blood play an essential role in this process, in addition to biochemical fibrinolytic reactions. An analytical mathematical model based on the hypothesis that clot dissolution dynamics is proportional to the power of the flowing blood plasma dissipated along the clot is presented. The model assumes cylindrical non-occlusive blood clots with the flow channel in the centre, in which the flow is assumed to be laminar and flow rate constant at all times during dissolution. Effects of sudden constriction on the flow and its impact on the dissolution rate are also considered. The model was verified experimentally by dynamic magnetic resonance (MR) microscopy of artificial blood clots dissolving in an in vitro circulation system, containing plasma with a magnetic resonance imaging contrast agent and recombinant tissue-type plasminogen activator (rt-PA). Sequences of dynamically acquired 3D low resolution MR images of entire clots and 2D high resolution MR images of clots in the axial cross-section were used to evaluate the dissolution model by fitting it to the experimental data. The experimental data fitted well to the model and confirmed our hypothesis.

Dissolution behavior of MgO based inert matrix fuel for the transmutation of minor actinides

NASA Astrophysics Data System (ADS)

Mühr-Ebert, E. L.; Lichte, E.; Bukaemskiy, A.; Finkeldei, S.; Klinkenberg, M.; Brandt, F.; Bosbach, D.; Modolo, G.

2018-07-01

This study explores the dissolution properties of magnesia-based inert matrix nuclear fuel (IMF) containing transuranium elements (TRU). Pure MgO pellets as well as MgO pellets containing CeO2, as surrogate for TRU oxides, and are considered as model systems for genuine magnesia based inert matrix fuel were fabricated. The aim of this study is to identify conditions at which the matrix material can be selectively dissolved during the head-end reprocessing step, allowing a separation of MgO from the actinides, whereas the actinides remain undissolved. The dissolution behavior was studied in macroscopic batch experiments as a function of nitric acid concentration, dissolution medium volume, temperature, stirring velocity, and pellet density (85, 90, 96, and 99%TD). To mimic pellets with various burn-ups the density of the here fabricated pellets was varied. MgO is soluble even under mild conditions (RT, 2.5 mol/L HNO3). The dissolution rates of MgO at different acid concentrations are rather similar, whereas the dissolution rate is strongly dependent on the temperature. Via a microscopic approach, a model was developed to describe the evolution of the pellet surface area during dissolution and determine a surface normalized dissolution rate. Moreover, dissolution rates of the inert matrix fuel containing CeO2 were determined as a function of the acid concentration and temperature. During the dissolution of MgO/CeO2 pellets the MgO dissolves completely, while CeO2 (>99%) remains undissolved. This study intends to provide a profound understanding of the chemical performance of magnesia based IMF containing fissile material. The feasibility of the dissolution of magnesia based IMF with nitric acid is discussed.

Friendship Dissolution Within Social Networks Modeled Through Multilevel Event History Analysis

PubMed Central

Dean, Danielle O.; Bauer, Daniel J.; Prinstein, Mitchell J.

2018-01-01

A social network perspective can bring important insight into the processes that shape human behavior. Longitudinal social network data, measuring relations between individuals over time, has become increasingly common—as have the methods available to analyze such data. A friendship duration model utilizing discrete-time multilevel survival analysis with a multiple membership random effect structure is developed and applied here to study the processes leading to undirected friendship dissolution within a larger social network. While the modeling framework is introduced in terms of understanding friendship dissolution, it can be used to understand microlevel dynamics of a social network more generally. These models can be fit with standard generalized linear mixed-model software, after transforming the data to a pair-period data set. An empirical example highlights how the model can be applied to understand the processes leading to friendship dissolution between high school students, and a simulation study is used to test the use of the modeling framework under representative conditions that would be found in social network data. Advantages of the modeling framework are highlighted, and potential limitations and future directions are discussed. PMID:28463022

Integrated approach to modeling long-term durability of concrete engineered barriers in LLRW disposal facility

DOE Office of Scientific and Technical Information (OSTI.GOV)

Lee, J.H.; Roy, D.M.; Mann, B.

1995-12-31

This paper describes an integrated approach to developing a predictive computer model for long-term performance of concrete engineered barriers utilized in LLRW and ILRW disposal facilities. The model development concept consists of three major modeling schemes: hydration modeling of the binder phase, pore solution speciation, and transport modeling in the concrete barrier and service environment. Although still in its inception, the model development approach demonstrated that the chemical and physical properties of complex cementitious materials and their interactions with service environments can be described quantitatively. Applying the integrated model development approach to modeling alkali (Na and K) leaching from amore » concrete pad barrier in an above-grade tumulus disposal unit, it is predicted that, in a near-surface land disposal facility where water infiltration through the facility is normally minimal, the alkalis control the pore solution pH of the concrete barriers for much longer than most previous concrete barrier degradation studies assumed. The results also imply that a highly alkaline condition created by the alkali leaching will result in alteration of the soil mineralogy in the vicinity of the disposal facility.« less

Predicting the oral pharmacokinetic profiles of multiple-unit (pellet) dosage forms using a modeling and simulation approach coupled with biorelevant dissolution testing: case example diclofenac sodium.

PubMed

Kambayashi, Atsushi; Blume, Henning; Dressman, Jennifer B

2014-07-01

The objective of this research was to characterize the dissolution profile of a poorly soluble drug, diclofenac, from a commercially available multiple-unit enteric coated dosage form, Diclo-Puren® capsules, and to develop a predictive model for its oral pharmacokinetic profile. The paddle method was used to obtain the dissolution profiles of this dosage form in biorelevant media, with the exposure to simulated gastric conditions being varied in order to simulate the gastric emptying behavior of pellets. A modified Noyes-Whitney theory was subsequently fitted to the dissolution data. A physiologically-based pharmacokinetic (PBPK) model for multiple-unit dosage forms was designed using STELLA® software and coupled with the biorelevant dissolution profiles in order to simulate the plasma concentration profiles of diclofenac from Diclo-Puren® capsule in both the fasted and fed state in humans. Gastric emptying kinetics relevant to multiple-units pellets were incorporated into the PBPK model by setting up a virtual patient population to account for physiological variations in emptying kinetics. Using in vitro biorelevant dissolution coupled with in silico PBPK modeling and simulation it was possible to predict the plasma profile of this multiple-unit formulation of diclofenac after oral administration in both the fasted and fed state. This approach might be useful to predict variability in the plasma profiles for other drugs housed in multiple-unit dosage forms. Copyright © 2014 Elsevier B.V. All rights reserved.

Dissolution kinetics of soluble nondisintegrating disks.

PubMed

de Blaey, C J; van der Graaff, H

1977-12-01

An equation describing the isotropical dissolution of soluble nondisintegrating disks was developed. It was equivalent to the cube root law only if the height and diameter of the disk were equal. The dissolution kinetics of sodium chloride disks were examined, using a beaker equipped with a centrifugal stirrer as the dissolution chamber. The fit of the experimental data to the cube root law had a coefficient of variation of about 4-5%. It was demonstrated statistically that a fit to a square root of mass versus time relation was significantly better. With increasing porosity, the dissolution process proceeded faster than predicted on the basis of the diffusion-convection model. An explanation is proposed by assuming an increased effective dissolution surface.

Oxidative dissolution of silver nanoparticles: A new theoretical approach.

PubMed

Adamczyk, Zbigniew; Oćwieja, Magdalena; Mrowiec, Halina; Walas, Stanisław; Lupa, Dawid

2016-05-01

A general model of an oxidative dissolution of silver particle suspensions was developed that rigorously considers the bulk and surface solute transport. A two-step surface reaction scheme was proposed that comprises the formation of the silver oxide phase by direct oxidation and the acidic dissolution of this phase leading to silver ion release. By considering this, a complete set of equations is formulated describing oxygen and silver ion transport to and from particles' surfaces. These equations are solved in some limiting cases of nanoparticle dissolution in dilute suspensions. The obtained kinetic equations were used for the interpretation of experimental data pertinent to the dissolution kinetics of citrate-stabilized silver nanoparticles. In these kinetic measurements the role of pH and bulk suspension concentration was quantitatively evaluated by using the atomic absorption spectrometry (AAS). It was shown that the theoretical model adequately reflects the main features of the experimental results, especially the significant increase in the dissolution rate for lower pH. Also the presence of two kinetic regimes was quantitatively explained in terms of the decrease in the coverage of the fast dissolving oxide layer. The overall silver dissolution rate constants characterizing these two regimes were determined. Copyright © 2015 Elsevier Inc. All rights reserved.

Research on strength attenuation law of concrete in freezing - thawing environment

NASA Astrophysics Data System (ADS)

Xiao, qianhui; Cao, zhiyuan; Li, qiang

2018-03-01

By rapid freezing and thawing method, the experiments of concrete have been 300 freeze-thaw cycles specimens in the water. The cubic compression strength value under different freeze-thaw cycles was measured. By analyzing the test results, the water-binder ratio of the concrete under freeze-thaw environments, fly ash and air entraining agent is selected dosage recommendations. The exponential attenuation prediction model and life prediction model of compression strength of concrete under freezing-thawing cycles considering the factors of water-binder ratio, fly ash content and air-entraining agent dosage were established. The model provides the basis for predicting the durability life of concrete under freezing-thawing environment. It also provides experimental basis and references for further research on concrete structures with antifreeze requirements.

Placement of mass concrete for cast-in-place concrete piling : the effects of heat of hydration of mass concrete for cast-in-place piles.

DOT National Transportation Integrated Search

2008-12-01

This report describes models, ABAQUS and Schmidt, to predict the peak temperature in the center of cast-in-place concrete piling. Five concrete piles with varying diameters and made up of concrete mixes with different percentage of fly ash are used. ...

Aquitard contaminant storage and flux resulting from dense nonaqueous phase liquid source zone dissolution and remediation

EPA Science Inventory

A one-dimensional diffusion model was used to investigate the effects of dense non-aqueous phase liquid (DNAPL) source zone dissolution and remediation on the storage and release of contaminants from aquitards. Source zone dissolution was represented by a power-law source depleti...

Reacidification modeling and dose calculation procedures for calcium-carbonate-treated lakes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Scheffe, R.D.

1987-01-01

Two dose calculation models and a reacidification model were developed and applied to two Adirondack acid lakes (Woods Lake and Cranberry Pond) that were treated with calcite during May 30-31, 1985 as part of the EPRI-funded Lake Acidification Mitigation Project. The first dose model extended Sverdrup's (1983) Lake Liming model by incorporating chemical equilibrium routines to eliminate empirical components. The model simulates laboratory column water chemistry profiles (spatially and temporally) and dissolution efficiencies fairly well; however, the model predicted conservative dissolution efficiencies for the study lakes. Time-series water chemistry profiles of the lakes suggest that atmospheric carbon dioxide intrusion ratemore » was far greater than expected and enhanced dissolution efficiency. Accordingly, a second dose model was developed that incorporated ongoing CO/sub 2/ intrusion and added flexibility in the handling of solid and dissolved species transport. This revised model simulated whole-lake water chemistry throughout the three week dissolution period. The Acid Lake Reacidification Model (ALaRM) is a general mass-balance model developed for the temporal prediction of the principal chemical species in both the water column and sediment pore water of small lakes and ponds.« less

Dry powder inhalers: An overview of the in vitro dissolution methodologies and their correlation with the biopharmaceutical aspects of the drug products.

PubMed

Velaga, Sitaram P; Djuris, Jelena; Cvijic, Sandra; Rozou, Stavroula; Russo, Paola; Colombo, Gaia; Rossi, Alessandra

2018-02-15

In vitro dissolution testing is routinely used in the development of pharmaceutical products. Whilst the dissolution testing methods are well established and standardized for oral dosage forms, i.e. tablets and capsules, there are no pharmacopoeia methods or regulatory requirements for testing the dissolution of orally inhaled powders. Despite this, a wide variety of dissolution testing methods for orally inhaled powders has been developed and their bio-relevance has been evaluated. This review provides an overview of the in vitro dissolution methodologies for dry inhalation products, with particular emphasis on dry powder inhalers, where the dissolution behavior of the respirable particles can have a role on duration and absorption of the drug. Dissolution mechanisms of respirable particles as well as kinetic models have been presented. A more recent biorelevant dissolution set-ups and media for studying inhalation biopharmaceutics were also reviewed. In addition, factors affecting interplay between dissolution and absorption of deposited particles in the context of biopharmaceutical considerations of inhalation products were examined. Copyright © 2017 Elsevier B.V. All rights reserved.

ISD3: a particokinetic model for predicting the combined effects of particle sedimentation, diffusion and dissolution on cellular dosimetry for in vitro systems.

PubMed

Thomas, Dennis G; Smith, Jordan N; Thrall, Brian D; Baer, Donald R; Jolley, Hadley; Munusamy, Prabhakaran; Kodali, Vamsi; Demokritou, Philip; Cohen, Joel; Teeguarden, Justin G

2018-01-25

The development of particokinetic models describing the delivery of insoluble or poorly soluble nanoparticles to cells in liquid cell culture systems has improved the basis for dose-response analysis, hazard ranking from high-throughput systems, and now allows for translation of exposures across in vitro and in vivo test systems. Complimentary particokinetic models that address processes controlling delivery of both particles and released ions to cells, and the influence of particle size changes from dissolution on particle delivery for cell-culture systems would help advance our understanding of the role of particles and ion dosimetry on cellular toxicology. We developed ISD3, an extension of our previously published model for insoluble particles, by deriving a specific formulation of the Population Balance Equation for soluble particles. ISD3 describes the time, concentration and particle size dependent dissolution of particles, their delivery to cells, and the delivery and uptake of ions to cells in in vitro liquid test systems. We applied the model to calculate the particle and ion dosimetry of nanosilver and silver ions in vitro after calibration of two empirical models, one for particle dissolution and one for ion uptake. Total media ion concentration, particle concentration and total cell-associated silver time-courses were well described by the model, across 2 concentrations of 20 and 110 nm particles. ISD3 was calibrated to dissolution data for 20 nm particles as a function of serum protein concentration, but successfully described the media and cell dosimetry time-course for both particles at all concentrations and time points. We also report the finding that protein content in media affects the initial rate of dissolution and the resulting near-steady state ion concentration in solution for the systems we have studied. By combining experiments and modeling, we were able to quantify the influence of proteins on silver particle solubility, determine the relative amounts of silver ions and particles in exposed cells, and demonstrate the influence of particle size changes resulting from dissolution on particle delivery to cells in culture. ISD3 is modular and can be adapted to new applications by replacing descriptions of dissolution, sedimentation and boundary conditions with those appropriate for particles other than silver.

ISD3: a particokinetic model for predicting the combined effects of particle sedimentation, diffusion and dissolution on cellular dosimetry for in vitro systems

DOE Office of Scientific and Technical Information (OSTI.GOV)

Thomas, Dennis G.; Smith, Jordan N.; Thrall, Brian D.

The development of particokinetic models describing the delivery of insoluble or poorly soluble nanoparticles to cells in liquid cell culture systems has improved the basis for dose-response analysis, hazard ranking from high-throughput systems, and now allows for translation of exposures across in vitro and in vivo test systems. Complimentary particokinetic models that address processes controlling delivery of both particles and released ions to cells, and the influence of particle size changes from dissolution on particle delivery for cell-culture systems would help advance our understanding of the role of particles ion dosimetry on cellular toxicology. We developed ISD3, an extension ofmore » our previously published model for insoluble particles, by deriving a specific formulation of the Population Balance Equation for soluble particles. ISD3 describes the time, concentration and particle size dependent dissolution of particles, their delivery to cells, and the delivery and uptake of ions to cells in in vitro liquid test systems. The model is modular, and can be adapted by application of any empirical model of dissolution, alternative approaches to calculating sedimentation rates, and cellular uptake or treatment of boundary conditions. We apply the model to calculate the particle and ion dosimetry of nanosilver and silver ions in vitro after calibration of two empirical models, one for particle dissolution and one for ion uptake. The results demonstrate utility and accuracy of the ISD3 framework for dosimetry in these systems. Total media ion concentration, particle concentration and total cell-associated silver time-courses were well described by the model, across 2 concentrations of 20 and 110 nm particles. ISD3 was calibrated to dissolution data for 20 nm particles as a function of serum protein concentration, but successfully described the media and cell dosimetry time-course for both particles at all concentrations and time points. We also report the finding that protein content in media has effects both on the initial rate of dissolution and the resulting near-steady state ion concentration in solution.« less

A Model Incorporating Some of the Mechanical and Biochemical Factors Underlying Clot Formation and Dissolution in Flowing Blood

DOE PAGES

Anand, M.; Rajagopal, K.; Rajagopal, K. R.

2003-01-01

Multiple interacting mechanisms control the formation and dissolution of clots to maintain blood in a state of delicate balance. In addition to a myriad of biochemical reactions, rheological factors also play a crucial role in modulating the response of blood to external stimuli. To date, a comprehensive model for clot formation and dissolution, that takes into account the biochemical, medical and rheological factors, has not been put into place, the existing models emphasizing either one or the other of the factors. In this paper, after discussing the various biochemical, physiologic and rheological factors at some length, we develop a modelmore » for clot formation and dissolution that incorporates many of the relevant crucial factors that have a bearing on the problem. The model, though just a first step towards understanding a complex phenomenon, goes further than previous models in integrating the biochemical, physiologic and rheological factors that come into play.« less

Triaxial constitutive model for plain and reinforced concrete behavior

NASA Astrophysics Data System (ADS)

Kang, Hong Duk

Inelastic failure analysis of concrete structures has been one of the central issues in concrete mechanics. Especially, the effect of confinement has been of great importance to capture the transition from brittle to ductile fracture of concrete under triaxial loading scenarios. Moreover, it has been a difficult task to implement numerically material descriptions which are susceptible to loss of stability and localization. Consequently, it has been a challenge to develop comprehensive material formulations of concrete, which consider the full spectrum of loading histories which the material in a real structure is subjected to. A new triaxial constitutive model of concrete is presented that not only describes the hardening/softening behavior of concrete in tension and low confined compression, but also captures the transition from brittle to ductile failure under high confinement. The concrete model is based on a loading surface that is Csp1-continuous, and that closes smoothly in equitriaxial compression, while the deviatoric trace expands from a triangular to a circular shape with increasing confinement. The plastic potential has a different curvature from the plastic loading function for non-associativity in order to reduce excessive inelastic dilatancy. In the thesis, the results of deformation and localization analyses for various loading histories are presented in the constitutive study. In addition, studies of associativity and non-associativity, and two-invariant versus three-invariant formulations are performed. At the structural level the triaxial concrete model is used to predict the nonlinear response behavior of a reinforced concrete column subject to axial and lateral loadings.

Dynamics of basaltic glass dissolution - Capturing microscopic effects in continuum scale models

NASA Astrophysics Data System (ADS)

Aradóttir, E. S. P.; Sigfússon, B.; Sonnenthal, E. L.; Björnsson, G.; Jónsson, H.

2013-11-01

The method of 'multiple interacting continua' (MINC) was applied to include microscopic rate-limiting processes in continuum scale reactive transport models of basaltic glass dissolution. The MINC method involves dividing the system up to ambient fluid and grains, using a specific surface area to describe the interface between the two. The various grains and regions within grains can then be described by dividing them into continua separated by dividing surfaces. Millions of grains can thus be considered within the method without the need to explicity discretizing them. Four continua were used for describing a dissolving basaltic glass grain; the first one describes the ambient fluid around the grain, while the second, third and fourth continuum refer to a diffusive leached layer, the dissolving part of the grain and the inert part of the grain, respectively. The model was validated using the TOUGHREACT simulator and data from column flow through experiments of basaltic glass dissolution at low, neutral and high pH values. Successful reactive transport simulations of the experiments and overall adequate agreement between measured and simulated values provides validation that the MINC approach can be applied for incorporating microscopic effects in continuum scale basaltic glass dissolution models. Equivalent models can be used when simulating dissolution and alteration of other minerals. The study provides an example of how numerical modeling and experimental work can be combined to enhance understanding of mechanisms associated with basaltic glass dissolution. Column outlet concentrations indicated basaltic glass to dissolve stoichiometrically at pH 3. Predictive simulations with the developed MINC model indicated significant precipitation of secondary minerals within the column at neutral and high pH, explaining observed non-stoichiometric outlet concentrations at these pH levels. Clay, zeolite and hydroxide precipitation was predicted to be most abundant within the column.

A Causal Model of Sentence Recall: Effects of Familiarity, Concreteness, Comprehensibility, and Interestingness.

ERIC Educational Resources Information Center

Sadoski, Mark; And Others

1993-01-01

Presents and tests a theoretically derived causal model of the recall of sentences. Notes that the causal model identifies familiarity and concreteness as causes of comprehensibility; familiarity, concreteness, and comprehensibility as causes of interestingness; and all the identified variables as causes of both immediate and delayed recall.…

Interface dissolution control of the 14C profile in marine sediment

USGS Publications Warehouse

Keir, R.S.; Michel, R.L.

1993-01-01

The process of carbonate dissolution at the sediment-water interface has two possible endmember boundary conditions. Either the carbonate particles dissolve mostly before they are incorporated into the sediment by bioturbation (interface dissolution), or the vertical mixing is rapid relative to their extermination rate (homogeneous dissolution). In this study, a detailed radiocarbon profile was determined in deep equatorial Pacific sediment that receives a high rate of carbonate supply. In addition, a box model of sediment mixing was used to simulate radiocarbon, carbonate content and excess thorium profiles that result from either boundary process following a dissolution increase. Results from homogeneous dissolution imply a strong, very recent erosional event, while interface dissolution suggests that moderately increased dissolution began about 10,000 years ago. In order to achieve the observed mixed layer radiocarbon age, increased homogeneous dissolution would concentrate a greater amount of clay and 230Th than is observed, while for interface dissolution the predicted concentrations are too small. These results together with small discontinuities beneath the mixed layer in 230Th profiles suggest a two-stage increase in interface dissolution in the deep Pacific, the first occurring near the beginning of the Holocene and the second more recently, roughly 5000 years ago. ?? 1993.

Studies on dissolution enhancement and mathematical modeling of drug release of a poorly water-soluble drug using water-soluble carriers.

PubMed

Ahuja, Naveen; Katare, Om Prakash; Singh, Bhupinder

2007-01-01

Role of various water-soluble carriers was studied for dissolution enhancement of a poorly soluble model drug, rofecoxib, using solid dispersion approach. Diverse carriers viz. polyethylene glycols (PEG 4000 and 6000), polyglycolized fatty acid ester (Gelucire 44/14), polyvinylpyrollidone K25 (PVP), poloxamers (Lutrol F127 and F68), polyols (mannitol, sorbitol), organic acid (citric acid) and hydrotropes (urea, nicotinamide) were investigated for the purpose. Phase-solubility studies revealed AL type of curves for each carrier, indicating linear increase in drug solubility with carrier concentration. The sign and magnitude of the thermodynamic parameter, Gibbs free energy of transfer, indicated spontaneity of solubilization process. All the solid dispersions showed dissolution improvement vis-à-vis pure drug to varying degrees, with citric acid, PVP and poloxamers as the most promising carriers. Mathematical modeling of in vitro dissolution data indicated the best fitting with Korsemeyer-Peppas model and the drug release kinetics primarily as Fickian diffusion. Solid state characterization of the drug-poloxamer binary system using XRD, FTIR, DSC and SEM techniques revealed distinct loss of drug crystallinity in the formulation, ostensibly accounting for enhancement in dissolution rate.

Latent variable modeling to analyze the effects of process parameters on the dissolution of paracetamol tablet

PubMed Central

Sun, Fei; Xu, Bing; Zhang, Yi; Dai, Shengyun; Shi, Xinyuan; Qiao, Yanjiang

2017-01-01

ABSTRACT The dissolution is one of the critical quality attributes (CQAs) of oral solid dosage forms because it relates to the absorption of drug. In this paper, the influence of raw materials, granules and process parameters on the dissolution of paracetamol tablet was analyzed using latent variable modeling methods. The variability in raw materials and granules was understood based on the principle component analysis (PCA), respectively. A multi-block partial least squares (MBPLS) model was used to determine the critical factors affecting the dissolution. The results showed that the binder amount, the post granulation time, the API content in granule, the fill depth and the punch tip separation distance were the critical factors with variable importance in the projection (VIP) values larger than 1. The importance of each unit of the whole process was also ranked using the block importance in the projection (BIP) index. It was concluded that latent variable models (LVMs) were very useful tools to extract information from the available data and improve the understanding on dissolution behavior of paracetamol tablet. The obtained LVMs were also helpful to propose the process design space and to design control strategies in the further research. PMID:27689242

Modeling of interaction between steel and concrete in continuously reinforced concrete pavements : final report.

DOT National Transportation Integrated Search

2016-01-01

Continuously reinforced concrete pavement (CRCP) contains continuous longitudinal reinforcement with no transverse : expansion within the early life of the pavement and can continue to develop cracks in the long-term. The : accurate modeling of CRCPs...

Free-Energy Landscape of the Dissolution of Gibbsite at High pH.

PubMed

Shen, Zhizhang; Kerisit, Sebastien N; Stack, Andrew G; Rosso, Kevin M

2018-04-05

The individual elementary reactions involved in the dissolution of a solid into solution remain mostly speculative due to a lack of direct experimental probes. In this regard, we have applied atomistic simulations to map the free-energy landscape of the dissolution of gibbsite from a step edge as a model of metal hydroxide dissolution. The overall reaction combines kink formation and kink propagation. Two individual reactions were found to be rate-limiting for kink formation, that is, the displacement of Al from a step site to a ledge adatom site and its detachment from ledge/terrace adatom sites into the solution. As a result, a pool of mobile and labile adsorbed species, or adatoms, exists before the release of Al into solution. Because of the quasi-hexagonal symmetry of gibbsite, kink site propagation can occur in multiple directions. Overall, our results will enable the development of microscopic mechanistic models of metal oxide dissolution.

The effect of crack width on the service life of reinforced concrete structures

NASA Astrophysics Data System (ADS)

Van Hung, Nguyen; Viet Hung, Vu; Viet, Tran Bao

2018-04-01

Reinforced concrete has become a widely used construction material around the world. Nowadays, the assessment of deterioration and life expectancy of reinforced concrete structure is very important and necessary as concrete is a complex material with brittle failure. Under the effect of load and over time, cracks occur in the structure, significantly reducing its performance and durability. Therefore, a number of models for predicting the penetration of chloride ions into the concrete were proposed to assess the durability of the structure. In the study performed by T B Viet (2016) [1], the author proposed a new theoretical model, especially considering the effects of macro and micro cracking on the diffusion coefficient of chloride ion in the cracked concrete. The following experimental results, in term of electrical indication of concrete’s ability to resist chloride ion penetration, are used to calculate the lifespan of a reinforced concrete structure according to Dura Crete approach [8] with different crack widths to evaluate the accuracy and reliability of the above model in the range of concrete compressive strength of 30-70MPa.

Understanding and optimizing the dual excipient functionality of sodium lauryl sulfate in tablet formulation of poorly water soluble drug: wetting and lubrication.

PubMed

Aljaberi, Ahmad; Chatterji, Ashish; Dong, Zedong; Shah, Navnit H; Malick, Waseem; Singhal, Dharmendra; Sandhu, Harpreet K

2013-01-01

To evaluate and optimize sodium lauryl sulfate (SLS) and magnesium stearate (Mg.St) levels, with respect to dissolution and compaction, in a high dose, poorly soluble drug tablet formulation. A model poorly soluble drug was formulated using high shear aqueous granulation. A D-optimal design was used to evaluate and model the effect of granulation conditions, size of milling screen, SLS and Mg.St levels on tablet compaction and ejection. The compaction profiles were generated using a Presster(©) compaction simulator. Dissolution of the kernels was performed using a USP dissolution apparatus II and intrinsic dissolution was determined using a stationary disk system. Unlike kernels dissolution which failed to discriminate between tablets prepared with various SLS contents, the intrinsic dissolution rate showed that a SLS level of 0.57% was sufficient to achieve the required release profile while having minimal effect on compaction. The formulation factors that affect tablet compaction and ejection were identified and satisfactorily modeled. The design space of best factor setting to achieve optimal compaction and ejection properties was successfully constructed by RSM analysis. A systematic study design helped identify the critical factors and provided means to optimize the functionality of key excipient to design robust drug product.

Optimization-Based Inverse Identification of the Parameters of a Concrete Cap Material Model

NASA Astrophysics Data System (ADS)

Král, Petr; Hokeš, Filip; Hušek, Martin; Kala, Jiří; Hradil, Petr

2017-10-01

Issues concerning the advanced numerical analysis of concrete building structures in sophisticated computing systems currently require the involvement of nonlinear mechanics tools. The efforts to design safer, more durable and mainly more economically efficient concrete structures are supported via the use of advanced nonlinear concrete material models and the geometrically nonlinear approach. The application of nonlinear mechanics tools undoubtedly presents another step towards the approximation of the real behaviour of concrete building structures within the framework of computer numerical simulations. However, the success rate of this application depends on having a perfect understanding of the behaviour of the concrete material models used and having a perfect understanding of the used material model parameters meaning. The effective application of nonlinear concrete material models within computer simulations often becomes very problematic because these material models very often contain parameters (material constants) whose values are difficult to obtain. However, getting of the correct values of material parameters is very important to ensure proper function of a concrete material model used. Today, one possibility, which permits successful solution of the mentioned problem, is the use of optimization algorithms for the purpose of the optimization-based inverse material parameter identification. Parameter identification goes hand in hand with experimental investigation while it trying to find parameter values of the used material model so that the resulting data obtained from the computer simulation will best approximate the experimental data. This paper is focused on the optimization-based inverse identification of the parameters of a concrete cap material model which is known under the name the Continuous Surface Cap Model. Within this paper, material parameters of the model are identified on the basis of interaction between nonlinear computer simulations, gradient based and nature inspired optimization algorithms and experimental data, the latter of which take the form of a load-extension curve obtained from the evaluation of uniaxial tensile test results. The aim of this research was to obtain material model parameters corresponding to the quasi-static tensile loading which may be further used for the research involving dynamic and high-speed tensile loading. Based on the obtained results it can be concluded that the set goal has been reached.

Statistical Considerations Concerning Dissimilar Regulatory Requirements for Dissolution Similarity Assessment. The Example of Immediate-Release Dosage Forms.

PubMed

Jasińska-Stroschein, Magdalena; Kurczewska, Urszula; Orszulak-Michalak, Daria

2017-05-01

When performing in vitro dissolution testing, especially in the area of biowaivers, it is necessary to follow regulatory guidelines to minimize the risk of an unsafe or ineffective product being approved. The present study examines model-independent and model-dependent methods of comparing dissolution profiles based on various compared and contrasted international guidelines. Dissolution profiles for immediate release solid oral dosage forms were generated. The test material comprised tablets containing several substances, with at least 85% of the labeled amount dissolved within 15 min, 20-30 min, or 45 min. Dissolution profile similarity can vary with regard to the following criteria: time point selection (including the last time point), coefficient of variation, and statistical method selection. Variation between regulatory guidance and statistical methods can raise methodological questions and result potentially in a different outcome when reporting dissolution profile testing. The harmonization of existing guidelines would address existing problems concerning the interpretation of regulatory recommendations and research findings. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Modelling karst aquifer evolution in fractured, porous rocks

NASA Astrophysics Data System (ADS)

Kaufmann, Georg

2016-12-01

The removal of material in soluble rocks by physical and chemical dissolution is an important process enhancing the secondary porosity of soluble rocks. Depending on the history of the soluble rock, dissolution can occur either along fractures and bedding partings of the rock in the case of a telogenetic origin, or within the interconnected pore space in the case of eogenetic origin. In soluble rocks characterised by both fractures and pore space, dissolution in both flow compartments is possible. We investigate the dissolution of calcite both along fractures and within the pore space of a limestone rock by numerical modelling. The limestone rock is treated as fractured, porous aquifer, in which the hydraulic conductivity increases with time both for the fractures and the pore spaces. We show that enlargement of pore space by dissolution will accelerate the development of a classical fracture-dominated telogenetic karst aquifer, breakthrough occurs faster. In the case of a pore-controlled aquifer as in eogenetic rocks, enlargement of pores results in a front of enlarged pore spaces migrating into the karst aquifer, with more homogeneous enlargement around this dissolution front, and later breakthrough.

Evaluating the reliability of equilibrium dissolution assumption from residual gasoline in contact with water saturated sands

NASA Astrophysics Data System (ADS)

Lekmine, Greg; Sookhak Lari, Kaveh; Johnston, Colin D.; Bastow, Trevor P.; Rayner, John L.; Davis, Greg B.

2017-01-01

Understanding dissolution dynamics of hazardous compounds from complex gasoline mixtures is a key to long-term predictions of groundwater risks. The aim of this study was to investigate if the local equilibrium assumption for BTEX and TMBs (trimethylbenzenes) dissolution was valid under variable saturation in two dimensional flow conditions and evaluate the impact of local heterogeneities when equilibrium is verified at the scale of investigation. An initial residual gasoline saturation was established over the upper two-thirds of a water saturated sand pack. A constant horizontal pore velocity was maintained and water samples were recovered across 38 sampling ports over 141 days. Inside the residual NAPL zone, BTEX and TMBs dissolution curves were in agreement with the TMVOC model based on the local equilibrium assumption. Results compared to previous numerical studies suggest the presence of small scale dissolution fingering created perpendicular to the horizontal dissolution front, mainly triggered by heterogeneities in the medium structure and the local NAPL residual saturation. In the transition zone, TMVOC was able to represent a range of behaviours exhibited by the data, confirming equilibrium or near-equilibrium dissolution at the scale of investigation. The model locally showed discrepancies with the most soluble compounds, i.e. benzene and toluene, due to local heterogeneities exhibiting that at lower scale flow bypassing and channelling may have occurred. In these conditions mass transfer rates were still high enough to fall under the equilibrium assumption in TMVOC at the scale of investigation. Comparisons with other models involving upscaled mass transfer rates demonstrated that such approximations with TMVOC could lead to overestimate BTEX dissolution rates and underestimate the total remediation time.

Evaluating the reliability of equilibrium dissolution assumption from residual gasoline in contact with water saturated sands.

PubMed

Lekmine, Greg; Sookhak Lari, Kaveh; Johnston, Colin D; Bastow, Trevor P; Rayner, John L; Davis, Greg B

2017-01-01

Understanding dissolution dynamics of hazardous compounds from complex gasoline mixtures is a key to long-term predictions of groundwater risks. The aim of this study was to investigate if the local equilibrium assumption for BTEX and TMBs (trimethylbenzenes) dissolution was valid under variable saturation in two dimensional flow conditions and evaluate the impact of local heterogeneities when equilibrium is verified at the scale of investigation. An initial residual gasoline saturation was established over the upper two-thirds of a water saturated sand pack. A constant horizontal pore velocity was maintained and water samples were recovered across 38 sampling ports over 141days. Inside the residual NAPL zone, BTEX and TMBs dissolution curves were in agreement with the TMVOC model based on the local equilibrium assumption. Results compared to previous numerical studies suggest the presence of small scale dissolution fingering created perpendicular to the horizontal dissolution front, mainly triggered by heterogeneities in the medium structure and the local NAPL residual saturation. In the transition zone, TMVOC was able to represent a range of behaviours exhibited by the data, confirming equilibrium or near-equilibrium dissolution at the scale of investigation. The model locally showed discrepancies with the most soluble compounds, i.e. benzene and toluene, due to local heterogeneities exhibiting that at lower scale flow bypassing and channelling may have occurred. In these conditions mass transfer rates were still high enough to fall under the equilibrium assumption in TMVOC at the scale of investigation. Comparisons with other models involving upscaled mass transfer rates demonstrated that such approximations with TMVOC could lead to overestimate BTEX dissolution rates and underestimate the total remediation time. Copyright © 2016. Published by Elsevier B.V.

Experimental investigation of photocatalytic effects of concrete in air purification adopting entire concrete waste reuse model.

PubMed

Xu, Yidong; Chen, Wei; Jin, Ruoyu; Shen, Jiansheng; Smallbone, Kirsty; Yan, Chunyang; Hu, Lei

2018-07-05

This research investigated the capacities of recycled aggregate concrete adopting entire concrete waste reuse model in degrading NO 2. Two major issues within environmental sustainability were addressed: concrete waste reuse rate and mitigation of hazards substances in the polluted air. The study consisted of two stages: identification of proper replacement rates of recycled concrete wastes in new concrete mixture design, and the evaluation of photocatalytic performance of recycled aggregate concrete in degrading NO 2 . It was found that replacement rates up to 3%, 30%, and 50% for recycled power, recycled fine aggregate, and recycled coarse aggregate respectively could be applied in concrete mixture design without deteriorating concrete strength. Recycled aggregates contained both positive attributes ("internal curing") and negative effects (e.g., lower hardness) to concrete properties. It was found that 30%-50% of natural coarse aggregate replaced by recycled coarse aggregates coated with TiO 2 would significantly improve the photocatalytic performance of concrete measured by degradation rate of NO 2 . Micro-structures of recycled aggregates observed under microscope indicated that soaking recycled aggregates in TiO 2 solution resulted in whiskers that filled the porosity within recycled aggregates which enhanced concrete strength. Copyright © 2018 Elsevier B.V. All rights reserved.

Modeling growth and dissolution of inclusions during fusion welding of steels

NASA Astrophysics Data System (ADS)

Hong, Tao

The characteristics of inclusions in the weld metals are critical factors to determine the structure, properties and performance of weldments. The research in the present thesis applied computational modeling to study inclusion behavior considering thermodynamics and kinetics of nucleation, growth and dissolution of inclusion along its trajectory calculated from the heat transfer and fluid flow model in the weld pool. The objective of this research is to predict the characteristics of inclusions, such as composition, size distribution, and number density in the weld metal from different welding parameters and steel compositions. To synthesize the knowledge of thermodynamics and kinetics of nucleation, growth and dissolution of inclusion in the liquid metal, a set of time-temperature-transformation (TTT) diagrams are constructed to represent the effects of time and temperature on the isothermal growth and dissolution behavior of fourteen types of individual inclusions. The non-isothermal behavior of growth and dissolution of inclusions is predicted from their isothermal behavior by constructing continuous-cooling-transformation (CCT) diagrams using Scheil additive rule. A well verified fluid flow and heat transfer model developed at Penn State is used to calculate the temperature and velocity fields in the weld pool for different welding processes. A turbulent model considering enhanced viscosity and thermal conductivity (k-ε model) is applied. The calculations show that there is vigorous circulation of metal in the weld pool. The heat transfer and fluid flow model helps to understand not only the fundamentals of the physical phenomena (luring welding, but also the basis to study the growth and dissolution of inclusions. The calculations of particle tracking of thousands of inclusions show that most inclusions undergo complex gyrations and thermal cycles in the weld pool. The inclusions experience both growth and dissolution during their lifetime. Thermal cycles of thousand of inclusions nucleated in the liquid region are tracked and their growth and dissolution are calculated to estimate the final size distribution and number density of inclusions statistically. The calculations show that welding conditions and weld metal compositions affect the inclusion characteristics significantly. Good agreement between the computed and the experimentally observed inclusion size distribution indicates that the inclusion behavior in the weld pool can be understood from the fundamentals of transport phenomena and transformation kinetics.

Associating Animations with Concrete Models to Enhance Students' Comprehension of Different Visual Representations in Organic Chemistry

ERIC Educational Resources Information Center

Al-Balushi, Sulaiman M.; Al-Hajri, Sheikha H.

2014-01-01

The purpose of the current study is to explore the impact of associating animations with concrete models on eleventh-grade students' comprehension of different visual representations in organic chemistry. The study used a post-test control group quasi-experimental design. The experimental group (N = 28) used concrete models, submicroscopic…

Physical heterogeneity control on effective mineral dissolution rates

NASA Astrophysics Data System (ADS)

Jung, Heewon; Navarre-Sitchler, Alexis

2018-04-01

Hydrologic heterogeneity may be an important factor contributing to the discrepancy in laboratory and field measured dissolution rates, but the governing factors influencing mineral dissolution rates among various representations of physical heterogeneity remain poorly understood. Here, we present multiple reactive transport simulations of anorthite dissolution in 2D latticed random permeability fields and link the information from local grid scale (1 cm or 4 m) dissolution rates to domain-scale (1m or 400 m) effective dissolution rates measured by the flux-weighted average of an ensemble of flow paths. We compare results of homogeneous models to heterogeneous models with different structure and layered permeability distributions within the model domain. Chemistry is simplified to a single dissolving primary mineral (anorthite) distributed homogeneously throughout the domain and a single secondary mineral (kaolinite) that is allowed to dissolve or precipitate. Results show that increasing size in correlation structure (i.e. long integral scales) and high variance in permeability distribution are two important factors inducing a reduction in effective mineral dissolution rates compared to homogeneous permeability domains. Larger correlation structures produce larger zones of low permeability where diffusion is an important transport mechanism. Due to the increased residence time under slow diffusive transport, the saturation state of a solute with respect to a reacting mineral approaches equilibrium and reduces the reaction rate. High variance in permeability distribution favorably develops large low permeability zones that intensifies the reduction in mixing and effective dissolution rate. However, the degree of reduction in effective dissolution rate observed in 1 m × 1 m domains is too small (<1% reduction from the corresponding homogeneous case) to explain several orders of magnitude reduction observed in many field studies. When multimodality in permeability distribution is approximated by high permeability variance in 400 m × 400 m domains, the reduction in effective dissolution rate increases due to the effect of long diffusion length scales through zones with very slow reaction rates. The observed scale dependence becomes complicated when pH dependent kinetics are compared to the results from pH independent rate constants. In small domains where the entire domain is reactive, faster anorthite dissolution rates and slower kaolinite precipitation rates relative to pH independent rates at far-from-equilibrium conditions reduce the effective dissolution rate by increasing the saturation state. However, in large domains where less- or non-reactive zones develop, higher kaolinite precipitation rates in less reactive zones increase the effective anorthite dissolution rates relative to the rates observed in pH independent cases.

Chemoinformetrical evaluation of dissolution property of indomethacin tablets by near-infrared spectroscopy.

PubMed

Otsuka, Makoto; Tanabe, Hideaki; Osaki, Kazuo; Otsuka, Kuniko; Ozaki, Yukihiro

2007-04-01

The purpose of this study was to use near-infrared spectrometry (NIR) with chemoinformetrics to predict the change of dissolution properties in indomethacin (IMC) tablets during the manufacturing process. A comparative evaluation of the dissolution properties of the tablets was performed by the diffused reflectance (DRNIR) and transmittance (TNIR) NIR spectroscopic methods. Various kinds of IMC tablets (200 mg) were obtained from a powder (20 mg of IMC, 18 mg of microcrystalline cellulose, 160 mg of lactose, and 2 mg of magnesium stearate) under various compression pressures (60-398 MPa). Dissolution tests were performed in phosphate buffer, and the time required for 75% dissolution (T75) and mean dissolution time (MDT) were calculated. DRNIR and TNIR spectra were recorded, and the both NIR spectra used to establish a calibration model for predicting the dissolution properties by principal component regression analysis (PCR). The T75 and MDT increased as the compression pressure increased, since tablet porosity decreased with increasing pressure. Intensity of the DRNIR spectra of the compressed tablets decreased as the compression pressure increased. However, the intensity of TNIR spectra increased along with the pressure. The calibration models used to evaluate the dissolution properties of tablets were established by using PCR based on both DRNIR and TNIR spectra of the tablets. The multiple correlation coefficients of the relationship between the actual and predictive T75 by the DRNIR and TNIR methods were 0.831 and 0.962, respectively. It is possible to predict the dissolution properties of pharmaceutical preparations using both DRNIR and TNIR chemoinformetric methods. The TNIR method was more accurate for predictions of the dissolution behavior of tablets than the DRNIR method. (c) 2007 Wiley-Liss, Inc.

Clinopyroxene dissolution in basaltic melt

NASA Astrophysics Data System (ADS)

Chen, Yang; Zhang, Youxue

2009-10-01

The history of magmatic systems may be inferred from reactions between mantle xenoliths and host basalt if the thermodynamics and kinetics of the reactions are quantified. To study diffusive and convective clinopyroxene dissolution in silicate melts, diffusive clinopyroxene dissolution experiments were conducted at 0.47-1.90 GPa and 1509-1790 K in a piston-cylinder apparatus. Clinopyroxene saturation is found to be roughly determined by MgO and CaO content. The effective binary diffusivities, DMgO and DCaO, and the interface melt saturation condition, C0MgO×C0CaO, are extracted from the experiments. DMgO and DCaO show Arrhenian dependence on temperature. The pressure dependence is small and not resolved within 0.47-1.90 GPa. C0MgO×C0CaO in the interface melt increases with increasing temperature, but decreases with increasing pressure. Convective clinopyroxene dissolution, where the convection is driven by the density difference between the crystal and melt, is modeled using the diffusivities and interface melt saturation condition. Previous studies showed that the convective dissolution rate depends on the thermodynamics, kinetics and fluid dynamics of the system. Comparing our results for clinopyroxene dissolution to results from a previous study on convective olivine dissolution shows that the kinetic and fluid dynamic aspects of the two minerals are quite similar. However, the thermodynamics of clinopyroxene dissolution depends more strongly on the degree of superheating and composition of the host melt than that of olivine dissolution. The models for clinopyroxene and olivine dissolution are tested against literature experiments on mineral-melt interaction. They are then applied to previously proposed reactions between Hawaii basalts and mantle minerals, mid-ocean ridge basalts and mantle minerals, and xenoliths digestion in a basalt at Kuandian, Northeast China.

Determination of the dissolution slowness surface by study of etched shapes I. Morphology of the dissolution slowness surface and theoretical etched shapes

NASA Astrophysics Data System (ADS)

Leblois, T.; Tellier, C. R.

1992-07-01

We propose a theoretical model for the anisotropic etching of crystals, in order to be applied in the micromachining. The originality of the model is due to the introduction of dissolution tensors to express the representative surface of the dissolution slowness. The knowledge of the equation of the slowness surface allows us to determine the trajectories of all the elements which compose the starting surface. It is then possible to construct the final etched shape by numerical simulation. Several examples are given in this paper which show that the final etched shapes are correlated to the extrema of the dissolution slowness. Since the slowness surface must be determined from experiments, emphasis is placed on difficulties encountered when we correlate theory to experiments. Nous avons modélisé le processus de dissolution anisotrope des cristaux en vue d'une application à la simulation des formes obtenues par photolithogravure chimique. La principale originalité de ce modèle tient à l'introduction de tenseurs de dissolution pour exprimer la surface représentative de la lenteur de dissolution. La connaissance de l'équation de la lenteur de dissolution permet de calculer les trajectoires des différents éléments constituant la surface de départ puis de reconstituer par simulation la forme dissoute. Les simulations démontrent que les formes limites des cristaux dissous sont corrélées aux extrema de la lenteur de dissolution. La détermination de la surface de la lenteur se faisant à partir de mesures expérimetales, nous nous sommes efforcés de montrer toutes les difficultés attachées à cette analyse.

Effect of the size of nanoparticles on their dissolution within metal-glass nanocomposites under sustained irradiation

NASA Astrophysics Data System (ADS)

Vu, T. H. Y.; Ramjauny, Y.; Rizza, G.; Hayoun, M.

2016-01-01

We investigate the dissolution law of metallic nanoparticles (NPs) under sustained irradiation. The system is composed of isolated spherical gold NPs (4-100 nm) embedded in an amorphous silica host matrix. Samples are irradiated at room temperature in the nuclear stopping power regime with 4 MeV Au ions for fluences up to 8 × 1016 cm-2. Experimentally, the dependence of the dissolution kinetics on the irradiation fluence is linear for large NPs (45-100 nm) and exponential for small NPs (4-25 nm). A lattice-based kinetic Monte Carlo (KMC) code, which includes atomic diffusion and ballistic displacement events, is used to simulate the dynamical competition between irradiation effects and thermal healing. The KMC simulations allow for a qualitative description of the NP dissolution in two main stages, in good agreement with the experiment. Moreover, the perfect correlation obtained between the evolution of the simulated flux of ejected atoms and the dissolution rate in two stages implies that there exists an effect of the size of NPs on their dissolution and a critical size for the transition between the two stages. The Frost-Russell model providing an analytical solution for the dissolution rate, accounts well for the first dissolution stage but fails in reproducing the data for the second stage. An improved model obtained by including a size-dependent recoil generation rate permits fully describing the dissolution for any NP size. This proves, in particular, that the size effect on the generation rate is the principal reason for the existence of two regimes. Finally, our results also demonstrate that it is justified to use a unidirectional approximation to describe the dissolution of the NP under irradiation, because the solute concentration is particularly low in metal-glass nanocomposites.

Coupled alkali feldspar dissolution and secondary mineral precipitation in batch systems: 4. Numerical modeling of kinetic reaction paths

NASA Astrophysics Data System (ADS)

Zhu, Chen; Lu, Peng; Zheng, Zuoping; Ganor, Jiwchar

2010-07-01

This paper explores how dissolution and precipitation reactions are coupled in batch reactor experimental systems at elevated temperatures. This is the fourth paper in our series of "Coupled Alkali Feldspar Dissolution and Secondary Mineral Precipitation in Batch Systems". In our third paper, we demonstrated via speciation-solubility modeling that partial equilibrium between secondary minerals and aqueous solutions was not attained in feldspar hydrolysis batch reactors at 90-300 °C and that a strong coupling between dissolution and precipitation reactions follows as a consequence of the slower precipitation of secondary minerals ( Zhu and Lu, 2009). Here, we develop this concept further by using numerical reaction path models to elucidate how the dissolution and precipitation reactions are coupled. Modeling results show that a quasi-steady state was reached. At the quasi-steady state, dissolution reactions proceeded at rates that are orders of magnitude slower than the rates measured at far from equilibrium. The quasi-steady state is determined by the relative rate constants, and strongly influenced by the function of Gibbs free energy of reaction ( ΔG) in the rate laws. To explore the potential effects of fluid flow rates on the coupling of reactions, we extrapolate a batch system ( Ganor et al., 2007) to open systems and simulated one-dimensional reactive mass transport for oligoclase dissolution and kaolinite precipitation in homogeneous porous media. Different steady states were achieved at different locations along the one-dimensional domain. The time-space distribution and saturation indices (SI) at the steady states were a function of flow rates for a given kinetic model. Regardless of the differences in SI, the ratio between oligoclase dissolution rates and kaolinite precipitation rates remained 1.626, as in the batch system case ( Ganor et al., 2007). Therefore, our simulation results demonstrated coupling among dissolution, precipitation, and flow rates. Results reported in this communication lend support to our hypothesis that slow secondary mineral precipitation explains part of the well-known apparent discrepancy between lab measured and field estimated feldspar dissolution rates ( Zhu et al., 2004). Here we show how the slow secondary mineral precipitation provides a regulator to explain why the systems are held close to equilibrium and show how the most often-quoted "near equilibrium" explanation for an apparent field-lab discrepancy can work quantitatively. The substantiated hypothesis now offers the promise of reconciling part of the apparent field-lab discrepancy.

Effect of cementitious permanent formwork on moisture field of internal-cured concrete under drying

NASA Astrophysics Data System (ADS)

Wang, Jiahe; Zhang, Jun; Ding, Xiaoping; Zhang, Jiajia

2018-02-01

Drying shrinkage of concrete may still be the main source of cracking in concrete structures, even though the autogenous shrinkage of concrete can be effectively reduced by using internal curing. In the present paper, the effect of internal curing with pre-soaked lightweight aggregate and engineered cementitious composite permanent formwork (ECC-PF) on a moisture distribution in three kinds of concrete in a drying environment are investigated from both aspects of experiments and theoretical modeling. The test results show that the combination use of ECC-PF and internal curing can well maintain the humidity at a relatively high level not only at a place far from drying surface, but also at a place close to the drying surfaces. The developed model can well catch the characteristics of the moisture distribution in concrete under drying and the impacts of internal curing and ECC-PF can well be reflected as well. The model can be used for the design of concrete structures with combination use of internal curing and permanent formwork.

Evaluation of models for predicting (total) creep of prestressed concrete mixtures.

DOT National Transportation Integrated Search

2001-01-01

Concrete experiences volume changes throughout its service life. When loaded, concrete experiences an instantaneous recoverable elastic deformation and a slow inelastic deformation called creep. Creep of concrete is composed of two components, basic ...

In vitro solubility, dissolution and permeability studies combined with semi-mechanistic modeling to investigate the intestinal absorption of desvenlafaxine from an immediate- and extended release formulation.

PubMed

Franek, F; Jarlfors, A; Larsen, F; Holm, P; Steffansen, B

2015-09-18

Desvenlafaxine is a biopharmaceutics classification system (BCS) class 1 (high solubility, high permeability) and biopharmaceutical drug disposition classification system (BDDCS) class 3, (high solubility, poor metabolism; implying low permeability) compound. Thus the rate-limiting step for desvenlafaxine absorption (i.e. intestinal dissolution or permeation) is not fully clarified. The aim of this study was to investigate whether dissolution and/or intestinal permeability rate-limit desvenlafaxine absorption from an immediate-release formulation (IRF) and Pristiq(®), an extended release formulation (ERF). Semi-mechanistic models of desvenlafaxine were built (using SimCyp(®)) by combining in vitro data on dissolution and permeation (mechanistic part of model) with clinical data (obtained from literature) on distribution and clearance (non-mechanistic part of model). The model predictions of desvenlafaxine pharmacokinetics after IRF and ERF administration were compared with published clinical data from 14 trials. Desvenlafaxine in vivo dissolution from the IRF and ERF was predicted from in vitro solubility studies and biorelevant dissolution studies (using the USP3 dissolution apparatus), respectively. Desvenlafaxine apparent permeability (Papp) at varying apical pH was investigated using the Caco-2 cell line and extrapolated to effective intestinal permeability (Peff) in human duodenum, jejunum, ileum and colon. Desvenlafaxine pKa-values and octanol-water partition coefficients (Do:w) were determined experimentally. Due to predicted rapid dissolution after IRF administration, desvenlafaxine was predicted to be available for permeation in the duodenum. Desvenlafaxine Do:w and Papp increased approximately 13-fold when increasing apical pH from 5.5 to 7.4. Desvenlafaxine Peff thus increased with pH down the small intestine. Consequently, desvenlafaxine absorption from an IRF appears rate-limited by low Peff in the upper small intestine, which "delays" the predicted time to the maximal plasma concentration (tmax), consistent with clinical data. Conversely, desvenlafaxine absorption from the ERF appears rate-limited by dissolution due to the formulation, which tends to negate the influence of pH-dependent permeability on absorption. We suggest that desvenlafaxine Peff is mainly driven by transcellular diffusion of the unionized form. In the case of desvenlafaxine, poor metabolism does not imply low intestinal permeability, as indicated by the BDDCS, merely low duodenal/jejunal permeability. Copyright © 2015 Elsevier B.V. All rights reserved.

Guided wave propagation and spectral element method for debonding damage assessment in RC structures

NASA Astrophysics Data System (ADS)

Wang, Ying; Zhu, Xinqun; Hao, Hong; Ou, Jinping

2009-07-01

A concrete-steel interface spectral element is developed to study the guided wave propagation along the steel rebar in the concrete. Scalar damage parameters characterizing changes in the interface (debonding damage) are incorporated into the formulation of the spectral finite element that is used for damage detection of reinforced concrete structures. Experimental tests are carried out on a reinforced concrete beam with embedded piezoelectric elements to verify the performance of the proposed model and algorithm. Parametric studies are performed to evaluate the effect of different damage scenarios on wave propagation in the reinforced concrete structures. Numerical simulations and experimental results show that the method is effective to model wave propagation along the steel rebar in concrete and promising to detect damage in the concrete-steel interface.

Study on creep of fiber reinforced ultra-high strength concrete based on strength

NASA Astrophysics Data System (ADS)

Peng, Wenjun; Wang, Tao

2018-04-01

To complement the creep performance of ultra-high strength concrete, the long creep process of fiber reinforced concrete was studied in this paper. The long-term creep process and regularity of ultra-high strength concrete with 0.5% PVA fiber under the same axial compression were analyzed by using concrete strength (C80/C100/C120) as a variable. The results show that the creep coefficient of ultra-high strength concrete decreases with the increase of concrete strength. Compared with ACI209R (92), GL2000 models, it is found that the predicted value of ACI209R (92) are close to the experimental value, and the creep prediction model suitable for this experiment is proposed based on ACI209R (92).

Predicting dense nonaqueous phase liquid dissolution using a simplified source depletion model parameterized with partitioning tracers

NASA Astrophysics Data System (ADS)

Basu, Nandita B.; Fure, Adrian D.; Jawitz, James W.

2008-07-01

Simulations of nonpartitioning and partitioning tracer tests were used to parameterize the equilibrium stream tube model (ESM) that predicts the dissolution dynamics of dense nonaqueous phase liquids (DNAPLs) as a function of the Lagrangian properties of DNAPL source zones. Lagrangian, or stream-tube-based, approaches characterize source zones with as few as two trajectory-integrated parameters, in contrast to the potentially thousands of parameters required to describe the point-by-point variability in permeability and DNAPL in traditional Eulerian modeling approaches. The spill and subsequent dissolution of DNAPLs were simulated in two-dimensional domains having different hydrologic characteristics (variance of the log conductivity field = 0.2, 1, and 3) using the multiphase flow and transport simulator UTCHEM. Nonpartitioning and partitioning tracers were used to characterize the Lagrangian properties (travel time and trajectory-integrated DNAPL content statistics) of DNAPL source zones, which were in turn shown to be sufficient for accurate prediction of source dissolution behavior using the ESM throughout the relatively broad range of hydraulic conductivity variances tested here. The results were found to be relatively insensitive to travel time variability, suggesting that dissolution could be accurately predicted even if the travel time variance was only coarsely estimated. Estimation of the ESM parameters was also demonstrated using an approximate technique based on Eulerian data in the absence of tracer data; however, determining the minimum amount of such data required remains for future work. Finally, the stream tube model was shown to be a more unique predictor of dissolution behavior than approaches based on the ganglia-to-pool model for source zone characterization.

Near Surface Geophysical Investigations of Potential Direct Recharge Zones in the Biscayne Aquifer within Everglades National Park, Florida.

NASA Astrophysics Data System (ADS)

Mount, G.; Comas, X.

2017-12-01

The karstic Miami Limestone of the Biscayne aquifer is characterized as having water flow that is controlled by the presence of dissolution enhanced porosity and mega-porous features. The dissolution features and other high porosity areas create horizontal preferential flow paths and high rates of ground water velocity, which may not be accurately conceptualized in groundwater flow models. In addition, recent research suggests the presence of numerous vertical dissolution features across Everglades National Park at Long Pine Key Trail, that may act as areas of direct recharge to the aquifer. These vertical features have been identified through ground penetrating radar (GPR) surveys as areas of velocity pull-down which have been modeled to have porosity values higher than the surrounding Miami Limestone. As climate change may induce larger and longer temporal variability between wet and dry times in the Everglades, a more comprehensive understanding of preferential flow pathways from the surface to the aquifer would be a great benefit to modelers and planners. This research utilizes near surface geophysical techniques, such as GPR, to identify these vertical dissolution features and then estimate the spatial variability of porosity using petrophysical models. GPR transects that were collected for several kilometers along the Long Pine Key Trail, show numerous pull down areas that correspond to dissolution enhanced porosity zones within the Miami Limestone. Additional 3D GPR surveys have attempted to delineate the boundaries of these features to elucidate their geometry for future modelling studies. We demonstrate the ability of near surface geophysics and petrophysical models to identify dissolution enhanced porosity in shallow karstic limestones to better understand areas that may act as zones of direct recharge into the Biscayne Aquifer.

How Concrete Is Concrete?

ERIC Educational Resources Information Center

Gravemeijer, Koeno

2011-01-01

If we want to make something concrete in mathematics education, we are inclined introduce, what we call, "manipulatives", in the form of tactile objects or visual representations. If we want to make something concrete in a everyday-life conversation, we look for an example. In the former, we try to make a concrete model of our own,…

Analysis of Stress in Steel and Concrete in Cfst Push-Out Test Samples

NASA Astrophysics Data System (ADS)

Grzeszykowski, Bartosz; Szadkowska, Magdalena; Szmigiera, Elżbieta

2017-09-01

The paper presents the analysis of stress in steel and concrete in CFST composite elements subjected to push-out tests. Two analytical models of stress distribution are presented. The bond at the interface between steel and concrete in the initial phase of the push-out test is provided by the adhesion. Until the force reach a certain value, the slip between both materials does not occur or it is negligibly small, what ensures full composite action of the specimen. In the first analytical model the full bond between both materials was assumed. This model allows to estimate value of the force for which the local loss of adhesion in given cross section begins. In the second model it was assumed that the bond stress distribution is constant along the shear transfer length of the specimen. Based on that the formulas for triangle distribution of stress in steel and concrete for the maximum push-out force were derived and compared with the experimental results. Both models can be used to better understand the mechanisms of interaction between steel and concrete in composite steel-concrete columns.

A probabilistic assessment of calcium carbonate export and dissolution in the modern ocean

NASA Astrophysics Data System (ADS)

Battaglia, G.; Steinacher, M.; Joos, F.

2015-12-01

The marine cycle of calcium carbonate (CaCO3) is an important element of the carbon cycle and co-governs the distribution of carbon and alkalinity within the ocean. However, CaCO3 fluxes and mechanisms governing CaCO3 dissolution are highly uncertain. We present an observationally-constrained, probabilistic assessment of the global and regional CaCO3 budgets. Parameters governing pelagic CaCO3 export fluxes and dissolution rates are sampled using a Latin-Hypercube scheme to construct a 1000 member ensemble with the Bern3D ocean model. Ensemble results are constrained by comparing simulated and observation-based fields of excess dissolved calcium carbonate (TA*). The minerals calcite and aragonite are modelled explicitly and ocean-sediment fluxes are considered. For local dissolution rates either a strong, a weak or no dependency on CaCO3 saturation is assumed. Median (68 % confidence interval) global CaCO3 export is 0.82 (0.67-0.98) Gt PIC yr-1, within the lower half of previously published estimates (0.4-1.8 Gt PIC yr-1). The spatial pattern of CaCO3 export is broadly consistent with earlier assessments. Export is large in the Southern Ocean, the tropical Indo-Pacific, the northern Pacific and relatively small in the Atlantic. Dissolution within the 200 to 1500 m depth range (0.33; 0.26-0.40 Gt PIC yr-1) is substantially lower than inferred from the TA*-CFC age method (1 ± 0.5 Gt PIC yr-1). The latter estimate is likely biased high as the TA*-CFC method neglects transport. The constrained results are robust across a range of diapycnal mixing coefficients and, thus, ocean circulation strengths. Modelled ocean circulation and transport time scales for the different setups were further evaluated with CFC11 and radiocarbon observations. Parameters and mechanisms governing dissolution are hardly constrained by either the TA* data or the current compilation of CaCO3 flux measurements such that model realisations with and without saturation-dependent dissolution achieve skill. We suggest to apply saturation-independent dissolution rates in Earth System Models to minimise computational costs.

Assessment of concrete damage and strength degradation caused by reinforcement corrosion

NASA Astrophysics Data System (ADS)

Nepal, Jaya; Chen, Hua-Peng

2015-07-01

Structural performance deterioration of reinforced concrete structures has been extensively investigated, but very limited studies have been carried out to investigate the effect of reinforcement corrosion on time-dependent reliability with consideration of the influence of mechanical characteristics of the bond interface due to corrosion. This paper deals with how corrosion in reinforcement creates different types of defects in concrete structure and how they are responsible for the structural capacity deterioration of corrosion affected reinforced concrete structures during their service life. Cracking in cover concrete due to reinforcement corrosion is investigated by using rebar-concrete model and realistic concrete properties. The flexural strength deterioration is analytically predicted on the basis of bond strength evolution due to reinforcement corrosion, which is examined by the experimental data available. The time-dependent reliability analysis is undertaken to calculate the life time structural reliability of corrosion damaged concrete structures by stochastic deterioration modelling of reinforced concrete. The results from the numerical example show that the proposed approach is capable of evaluating the damage caused by reinforcement corrosion and also predicting the structural reliability of concrete structures during their lifecycle.

An approximation method for improving dynamic network model fitting.

PubMed

Carnegie, Nicole Bohme; Krivitsky, Pavel N; Hunter, David R; Goodreau, Steven M

There has been a great deal of interest recently in the modeling and simulation of dynamic networks, i.e., networks that change over time. One promising model is the separable temporal exponential-family random graph model (ERGM) of Krivitsky and Handcock, which treats the formation and dissolution of ties in parallel at each time step as independent ERGMs. However, the computational cost of fitting these models can be substantial, particularly for large, sparse networks. Fitting cross-sectional models for observations of a network at a single point in time, while still a non-negligible computational burden, is much easier. This paper examines model fitting when the available data consist of independent measures of cross-sectional network structure and the duration of relationships under the assumption of stationarity. We introduce a simple approximation to the dynamic parameters for sparse networks with relationships of moderate or long duration and show that the approximation method works best in precisely those cases where parameter estimation is most likely to fail-networks with very little change at each time step. We consider a variety of cases: Bernoulli formation and dissolution of ties, independent-tie formation and Bernoulli dissolution, independent-tie formation and dissolution, and dependent-tie formation models.

The effect of sea-water intrusion due to the large scale construction in a coastal region

NASA Astrophysics Data System (ADS)

Hyun, S.; Jin, S.; Woo, N. C.; Lee, J.; Lee, H.; Kim, Y.

2010-12-01

This study was carried out for estimating the seawater intrusion at the disturbed aquifer by a large scale construction when building a power plant in a coastal region, located in southeastern part of the Korean peninsula. Groundwater sampling and vertical profiling of electrical conductivity(EC) for 8 monitoring wells were carried. EC profiling results shows that maximum EC for PW-5, 6 and 7 is over 40 mS/cm, for PZ-1, 3, 4 and 8 is 18.76, 4.46, 26.16, 21.42 mS/cm and for PZ-2 is 0.79 mS/cm,respectively. Chemical composition of water samples shows that water types of Na-Cl for PZ-5, 6, and 7 (excavated and backfilled area), Na-Cl-SO4 for PZ-4 and PZ-8, Na-Ca-Mg-Cl for PZ-1, Ca-Na-SO4-Cl for PZ-2, and Mg-Ca-Na-SO4 for PZ-3. In addition, the bivariate plot of SO4/Cl(meq ratios) and SO4(mmol/L) indicates that PZ-4, 5, 6, 7 and 8 appear to be seawater, PZ-1 is located at mixing zone between freshwater and seawater, and PZ-2 is freshwater. However, based on the high SO42- level and (HCO3-/Sum anions} ratio less than 0.8, groundwater at PZ-3 seems to show the gypsum dissolution. The gypsum dissolution was attributed to the effect of sea-water intrusion on ageing of lean concrete that was used for backfill around the PZ-3. Key words : large scale construction, EC profiling, hydrochemistry, sea-water intrusion, concrete ageing Acknowledgement This study has been carried out under the Nuclear R&D Program [No. 2010-0001070] supported by the Ministry of Education, Science and Technology, Republic of Korea.

Initial dissolution kinetics of cocrystal of carbamazepine with nicotinamide.

PubMed

Hattori, Yusuke; Sato, Maiko; Otsuka, Makoto

2015-11-01

Objectives of this study are investigating the initial dissolution kinetics of the cocrystal of carbamazepine (CBZ) with nicotinamide (NIC) and understanding its initial dissolution process. Cocrystal solids of CBZ with NIC were prepared by co-milling and solvent evaporation methods. The formation of cocrystal solid was verified via X-ray diffraction measurement. Dissolution tests of the solids were performed using an original flow cell and ultraviolet-visible spectroscopic detector. The spectra monitored in situ were analyzed to determine the dissolved compounds separately using the classical least squares regression method. The initial dissolution profiles were interpreted using simultaneous model of dissolution and phase changes. In the initial dissolution, CBZ in the cocrystal structure dissolved in water and it was suggested that CBZ reached a metastable intermediate state simultaneously with dissolution. The cocrystal solid prepared by solvent evaporation provided a higher rate constant of the phase change than that prepared by co-milling. Our results thus support the use of evaporation as the method of choice to produce ordered cocrystal structures. We suggest that CBZ forms dihydrate during the dissolution process; however, during the initial phase of dissolution, CBZ changes to a metastable intermediate phase. © 2015 Royal Pharmaceutical Society.

Morphological evolution of dissolving feldspar particles with anisotropic surface kinetics and implications for dissolution rate normalization and grain size dependence: A kinetic modeling study

NASA Astrophysics Data System (ADS)

Zhang, Li; Lüttge, Andreas

2009-11-01

With previous two-dimensional (2D) simulations based on surface-specific feldspar dissolution succeeding in relating the macroscopic feldspar kinetics to the molecular-scale surface reactions of Si and Al atoms ( Zhang and Lüttge, 2008, 2009), we extended our modeling effort to three-dimensional (3D) feldspar particle dissolution simulations. Bearing on the same theoretical basis, the 3D feldspar particle dissolution simulations have verified the anisotropic surface kinetics observed in the 2D surface-specific simulations. The combined effect of saturation state, pH, and temperature on the surface kinetics anisotropy has been subsequently evaluated, found offering diverse options for morphological evolution of dissolving feldspar nanoparticles with varying grain sizes and starting shapes. Among the three primary faces on the simulated feldspar surface, the (1 0 0) face has the biggest dissolution rate across an extensively wide saturation state range and thus acquires a higher percentage of the surface area upon dissolution. The slowest dissolution occurs to either (0 0 1) or (0 1 0) faces depending on the bond energies of Si-(O)-Si ( ΦSi-O-Si/ kT) and Al-(O)-Si ( ΦAl-O-Si/ kT). When the ratio of ΦSi-O-Si/ kT to ΦAl-O-Si/ kT changes from 6:3 to 7:5, the dissolution rates of three primary faces change from the trend of (1 0 0) > (0 1 0) > (0 0 1) to the trend of (1 0 0) > (0 0 1) > (0 1 0). The rate difference between faces becomes more distinct and accordingly edge rounding becomes more significant. Feldspar nanoparticles also experience an increasing degree of edge rounding from far-from-equilibrium to close-to-equilibrium. Furthermore, we assessed the connection between the continuous morphological modification and the variation in the bulk dissolution rate during the dissolution of a single feldspar particle. Different normalization treatments equivalent to the commonly used mass, cube assumption, sphere assumption, geometric surface area, and reactive surface area normalizations have been used to normalize the bulk dissolution rate. For each of the treatments, time consistence and grain size dependence of the normalized dissolution rate have been evaluated and the results revealed significant dependences on the magnitude of surface kinetic anisotropy under differing environmental conditions. In general, the normalized dissolution rates are strongly dependent on grain size. Time-consistent normalization treatment varies with the investigated condition. The modeling results suggest that the sphere-, cube-, and BET-normalized dissolution rates are appropriate under the far-from-equilibrium conditions at low pH where these normalizations are time-consistent and are slightly dependent on grain size.

Quartz dissolution. I - Negative crystal experiments and a rate law. II - Theory of rough and smooth surfaces

NASA Technical Reports Server (NTRS)

Gratz, Andrew J.; Bird, Peter

1993-01-01

The range of the measured quartz dissolution rates, as a function of temperature and pOH, extent of saturation, and ionic strength, is extended to cover a wider range of solution chemistries, using the negative crystal methodology of Gratz et al. (1990) to measure the dissolution rate. A simple rate law describing the quartz dissolution kinetics above the point of zero charge of quartz is derived for ionic strengths above 0.003 m. Measurements were performed on some defective crystals, and the mathematics of step motion was developed for quartz dissolution and was compared with rough-face behavior using two different models.

Monitoring, Modeling, and Diagnosis of Alkali-Silica Reaction in Small Concrete Samples

DOE Office of Scientific and Technical Information (OSTI.GOV)

Agarwal, Vivek; Cai, Guowei; Gribok, Andrei V.

Assessment and management of aging concrete structures in nuclear power plants require a more systematic approach than simple reliance on existing code margins of safety. Structural health monitoring of concrete structures aims to understand the current health condition of a structure based on heterogeneous measurements to produce high-confidence actionable information regarding structural integrity that supports operational and maintenance decisions. This report describes alkali-silica reaction (ASR) degradation mechanisms and factors influencing the ASR. A fully coupled thermo-hydro-mechanical-chemical model developed by Saouma and Perotti by taking into consideration the effects of stress on the reaction kinetics and anisotropic volumetric expansion is presentedmore » in this report. This model is implemented in the GRIZZLY code based on the Multiphysics Object Oriented Simulation Environment. The implemented model in the GRIZZLY code is randomly used to initiate ASR in a 2D and 3D lattice to study the percolation aspects of concrete. The percolation aspects help determine the transport properties of the material and therefore the durability and service life of concrete. This report summarizes the effort to develop small-size concrete samples with embedded glass to mimic ASR. The concrete samples were treated in water and sodium hydroxide solution at elevated temperature to study how ingress of sodium ions and hydroxide ions at elevated temperature impacts concrete samples embedded with glass. Thermal camera was used to monitor the changes in the concrete sample and results are summarized.« less

Income and Independence Effects on Marital Dissolution: Results from the Seattle and Denver Income-Maintenance Experiments.

ERIC Educational Resources Information Center

Hannan, Michael T.; And Others

1978-01-01

Discusses effects of income and income fluctuation on marital dissolution. Data are based on a model of nonlinear income and independence effects. Findings indicated that effects of an income maintenance program on marital dissolution depend upon the payment a couple receives, income before the program, level of the wife's independence, and…

Computational models for the nonlinear analysis of reinforced concrete plates

NASA Technical Reports Server (NTRS)

Hinton, E.; Rahman, H. H. A.; Huq, M. M.

1980-01-01

A finite element computational model for the nonlinear analysis of reinforced concrete solid, stiffened and cellular plates is briefly outlined. Typically, Mindlin elements are used to model the plates whereas eccentric Timoshenko elements are adopted to represent the beams. The layering technique, common in the analysis of reinforced concrete flexural systems, is incorporated in the model. The proposed model provides an inexpensive and reasonably accurate approach which can be extended for use with voided plates.

Advanced Numerical Model for Irradiated Concrete

DOE Office of Scientific and Technical Information (OSTI.GOV)

Giorla, Alain B.

In this report, we establish a numerical model for concrete exposed to irradiation to address these three critical points. The model accounts for creep in the cement paste and its coupling with damage, temperature and relative humidity. The shift in failure mode with the loading rate is also properly represented. The numerical model for creep has been validated and calibrated against different experiments in the literature [Wittmann, 1970, Le Roy, 1995]. Results from a simplified model are shown to showcase the ability of numerical homogenization to simulate irradiation effects in concrete. In future works, the complete model will be appliedmore » to the analysis of the irradiation experiments of Elleuch et al. [1972] and Kelly et al. [1969]. This requires a careful examination of the experimental environmental conditions as in both cases certain critical information are missing, including the relative humidity history. A sensitivity analysis will be conducted to provide lower and upper bounds of the concrete expansion under irradiation, and check if the scatter in the simulated results matches the one found in experiments. The numerical and experimental results will be compared in terms of expansion and loss of mechanical stiffness and strength. Both effects should be captured accordingly by the model to validate it. Once the model has been validated on these two experiments, it can be applied to simulate concrete from nuclear power plants. To do so, the materials used in these concrete must be as well characterized as possible. The main parameters required are the mechanical properties of each constituent in the concrete (aggregates, cement paste), namely the elastic modulus, the creep properties, the tensile and compressive strength, the thermal expansion coefficient, and the drying shrinkage. These can be either measured experimentally, estimated from the initial composition in the case of cement paste, or back-calculated from mechanical tests on concrete. If some are unknown, a sensitivity analysis must be carried out to provide lower and upper bounds of the material behaviour. Finally, the model can be used as a basis to formulate a macroscopic material model for concrete subject to irradiation, which later can be used in structural analyses to estimate the structural impact of irradiation on nuclear power plants.« less

Properties of Refractory Concrete in Tension and Compression

NASA Technical Reports Server (NTRS)

Sampson, Jeffrey

2009-01-01

Refractory concrete on the LC-39A Flame Deflector has been damaged during multiple Space Shuttle launches (e.g. STS-124, STS-126, STS-119, and STS-125, STS-127). These events have prompted a better understanding of the system via an analytical model of the Flame Deflector assembly to include the Fondu Fyre refractory concrete. This model requires test data inputs of the refractory concrete's mechanical properties, which include stress versus strain curves in tension and compression, modulus of elasticity, and Poisson's ratio. Sections of Fondu Fyre refractory concrete removed from the LC-39A Flame Deflector were provided for this testing.

Facilitating Changes in Ninth Grade Students' Understanding of Dissolution and Diffusion through DSLM Instruction

ERIC Educational Resources Information Center

She, Hsiao-Ching

2004-01-01

This study examines the nature and process of ninth grade students' conceptual change regarding their mental model of dissolution and diffusion as a result of instructions using the Dual Situated Learning Model (DSLM). The dual situated learning events of this model are designed according to the students' ontological viewpoint of the science…

Nanostructured calcium silicate hydrate seeds accelerate concrete hardening: a combined assessment of benefits and risks.

PubMed

Bräu, Michael; Ma-Hock, Lan; Hesse, Christoph; Nicoleau, Luc; Strauss, Volker; Treumann, Silke; Wiench, Karin; Landsiedel, Robert; Wohlleben, Wendel

2012-07-01

Nanotechnology creates new possibilities to control and improve material properties for civil infrastructure. Special focus in this area is put on Portland cement and gypsum. Together their annual production is by far larger than for any other material worldwide. Nanomodification of these materials can be done during the few hours between dissolution and hardening, especially by nucleation of the re-crystallization with suitable colloids. Here we report first results in homogeneous seeding of the precipitation of calcium silicate hydrates within a real Portland cement composition. The occupational safety during the production phase and during mixing of concrete paste is addressed in detail by in vivo testing. We perform 5-day inhalation with 21-day recovery in rats and analyze organ-specific toxicity and 71 endpoints from bronchoalveolar lavage (BALF) and blood. In BALF parameters, no test-related changes were observed, indicating the generally low toxicity of the test material. Some mild lesions were observed in larynx level. In the lungs, all animals of the 50 mg/m³ concentration group revealed a minimal to mild increase in alveolar macrophages, which recovered back to control level.

Modelling Dowel Action of Discrete Reinforcing Bars in Cracked Concrete Structures

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kwan, A. K. H.; Ng, P. L.; Lam, J. Y. K.

2010-05-21

Dowel action is one of the component actions for shear force transfer in cracked reinforced concrete. In finite element analysis of concrete structures, the use of discrete representation of reinforcing bars is considered advantageous over the smeared representation due to the relative ease of modelling the bond-slip behaviour. However, there is very limited research on how to simulate the dowel action of discrete reinforcing bars. Herein, a numerical model for dowel action of discrete reinforcing bars crossing cracks in concrete is developed. The model features the derivation of dowel stiffness matrix based on beam-on-elastic-foundation theory and the direct assemblage ofmore » dowel stiffness into the concrete element stiffness matrices. The dowel action model is incorporated in a nonlinear finite element programme with secant stiffness formulation. Deep beams tested in the literature are analysed and it is found that the incorporation of dowel action model improves the accuracy of analysis.« less

Nondestructive Handheld Fourier Transform Infrared (FT-IR) Analysis of Spectroscopic Changes and Multivariate Modeling of Thermally Degraded Plain Portland Cement Concrete and its Slag and Fly Ash-Based Analogs.

PubMed

Leung Tang, Pik; Alqassim, Mohammad; Nic Daéid, Niamh; Berlouis, Leonard; Seelenbinder, John

2016-05-01

Concrete is by far the world's most common construction material. Modern concrete is a mixture of industrial pozzolanic cement formulations and aggregate fillers. The former acts as the glue or binder in the final inorganic composite; however, when exposed to a fire the degree of concrete damage is often difficult to evaluate nondestructively. Fourier transform infrared (FT-IR) spectroscopy through techniques such as transmission, attenuated total reflectance, and diffuse reflectance have been rarely used to evaluate thermally damaged concrete. In this paper, we report on a study assessing the thermal damage of concrete via the use of a nondestructive handheld FT-IR with a diffuse reflectance sample interface. In situ measurements can be made on actual damaged areas, without the need for sample preparation. Separate multivariate models were developed to determine the equivalent maximal temperature endured for three common industrial concrete formulations. The concrete mixtures were successfully modeled displaying high predictive power as well as good specificity. This has potential uses in forensic investigation and remediation services particularly for fires in buildings. © The Author(s) 2016.

Porosity Development in a Coastal Setting: A Reactive Transport Model to Assess the Influence of Heterogeneity of Hydrological, Geochemical and Lithological Conditions

NASA Astrophysics Data System (ADS)

Maqueda, A.; Renard, P.; Cornaton, F. J.

2014-12-01

Coastal karst networks are formed by mineral dissolution, mainly calcite, in the freshwater-saltwater mixing zone. The problem has been approached first by studying the kinetics of calcite dissolution and then coupling ion-pairing software with flow and mass transport models. Porosity development models require high computational power. A workaround to reduce computational complexity is to assume the calcite dissolution reaction is relatively fast, thus equilibrium chemistry can be used to model it (Sanford & Konikow, 1989). Later developments allowed the full coupling of kinetics and transport in a model. However kinetics effects of calcite dissolution were found negligible under the single set of assumed hydrological and geochemical boundary conditions. A model is implemented with the coupling of FeFlow software as the flow & transport module and PHREEQC4FEFLOW (Wissmeier, 2013) ion-pairing module. The model is used to assess the influence of heterogeneities in hydrological, geochemical and lithological boundary conditions on porosity evolution. The hydrologic conditions present in the karst aquifer of Quintana Roo coast in Mexico are used as a guide for generating inputs for simulations.

Using Physical Models to Explain a Division Algorithm.

ERIC Educational Resources Information Center

Vest, Floyd

1985-01-01

Develops a division algorithm in terms of familiar manipulations of concrete objects and presents it with a series of questions for diagnosis of students' understanding of the algorithm in terms of the concrete model utilized. Also offers general guidelines for using concrete illustrations to explain algorithms and other mathematical principles.…

Effect of modeling factors on the dissolution-diffusion-convection process during CO2 geological storage in deep saline formations

NASA Astrophysics Data System (ADS)

Zhang, Wei

2013-06-01

It is well known that during CO2 geological storage, density-driven convective activity can significantly accelerate the dissolution of injected CO2 into water. This action could limit the escape of supercritical CO2 from the storage formation through vertical pathways such as fractures, faults and abandoned wells, consequently increasing permanence and security of storage. First, we investigated the effect of numerical perturbation caused by time and grid resolution and the convergence criteria on the dissolution-diffusion-convection (DDC) process. Then, using the model with appropriate spatial and temporal resolution, some uncertainty parameters investigated in our previous paper such as initial gas saturation and model boundaries, and other factors such as relative liquid permeability and porosity modification were used to examine their effects on the DDC process. Finally, we compared the effect of 2D and 3D models on the simulation of the DDC process. The above modeling results should contribute to clear understanding and accurate simulation of the DDC process, especially the onset of convective activity, and the CO2 dissolution rate during the convection-dominated stage.

Simulating star clusters with the AMUSE software framework. I. Dependence of cluster lifetimes on model assumptions and cluster dissolution modes

DOE Office of Scientific and Technical Information (OSTI.GOV)

Whitehead, Alfred J.; McMillan, Stephen L. W.; Vesperini, Enrico

2013-12-01

We perform a series of simulations of evolving star clusters using the Astrophysical Multipurpose Software Environment (AMUSE), a new community-based multi-physics simulation package, and compare our results to existing work. These simulations model a star cluster beginning with a King model distribution and a selection of power-law initial mass functions and contain a tidal cutoff. They are evolved using collisional stellar dynamics and include mass loss due to stellar evolution. After studying and understanding that the differences between AMUSE results and results from previous studies are understood, we explored the variation in cluster lifetimes due to the random realization noisemore » introduced by transforming a King model to specific initial conditions. This random realization noise can affect the lifetime of a simulated star cluster by up to 30%. Two modes of star cluster dissolution were identified: a mass evolution curve that contains a runaway cluster dissolution with a sudden loss of mass, and a dissolution mode that does not contain this feature. We refer to these dissolution modes as 'dynamical' and 'relaxation' dominated, respectively. For Salpeter-like initial mass functions, we determined the boundary between these two modes in terms of the dynamical and relaxation timescales.« less

A mechanistic understanding of plagioclase dissolution based on Al occupancy and T-O bond length: from geologic carbon sequestration to ambient conditions.

PubMed

Yang, Yi; Min, Yujia; Jun, Young-Shin

2013-11-14

A quantitative description of how the bulk properties of aluminosilicates affect their dissolution kinetics is important in helping people understand the regulation of atmospheric CO2 concentration by silicate weathering and predict the fate and transport of geologically sequestered CO2 through brine-rock interactions. In this study, we employed a structure model based on the C1 space group to illustrate how differences in crystallographic properties of aluminosilicates, such as T-O (Tetrahedral site-Oxygen) bond length and Al/Si ordering, can result in quantifiable variations in mineral dissolution rates. The dissolution rates of plagioclases were measured under representative geologic carbon sequestration (GCS) conditions (90 °C, 100 atm of CO2, 1.0 M NaCl, and pH ∼ 3.1), and used to validate the model. We found that the logarithm of the characteristic time of the breakdown of Al-O-Si linkages in plagioclases follows a good linear relation with the mineral's aluminum content (nAl). The Si release rates of plagioclases can be calculated based on an assumption of dissolution congruency or on the regularity of Al/Si distribution in the constituent tetrahedra of the mineral. We further extended the application of our approach to scenarios where dissolution incongruency arises because of different linkage reactivities in the solid matrix, and compared the model predictions with published data. The application of our results enables a significant reduction of experimental work for determining the dissolution rates of structurally related aluminosilicates, given a reaction environment.

Evolution of a detailed physiological model to simulate the gastrointestinal transit and absorption process in humans, part II: extension to describe performance of solid dosage forms.

PubMed

Thelen, Kirstin; Coboeken, Katrin; Willmann, Stefan; Dressman, Jennifer B; Lippert, Jörg

2012-03-01

The physiological absorption model presented in part I of this work is now extended to account for dosage-form-dependent gastrointestinal (GI) transit as well as disintegration and dissolution processes of various immediate-release and modified-release dosage forms. Empirical functions of the Weibull type were fitted to experimental in vitro dissolution profiles of solid dosage forms for eight test compounds (aciclovir, caffeine, cimetidine, diclofenac, furosemide, paracetamol, phenobarbital, and theophylline). The Weibull functions were then implemented into the model to predict mean plasma concentration-time profiles of the various dosage forms. On the basis of these dissolution functions, pharmacokinetics (PK) of six model drugs was predicted well. In the case of diclofenac, deviations between predicted and observed plasma concentrations were attributable to the large variability in gastric emptying time of the enteric-coated tablets. Likewise, oral PK of furosemide was found to be predominantly governed by the gastric emptying patterns. It is concluded that the revised model for GI transit and absorption was successfully integrated with dissolution functions of the Weibull type, enabling prediction of in vivo PK profiles from in vitro dissolution data. It facilitates a comparative analysis of the parameters contributing to oral drug absorption and is thus a powerful tool for formulation design. Copyright © 2011 Wiley Periodicals, Inc.

Finite element bond models for seven-wire prestressing strands in concrete crossties.

DOT National Transportation Integrated Search

2015-03-23

Seven-wire strands are commonly used in pretensioned : concrete ties, but its bonding mechanism with concrete needs : further examination to provide a better understanding of some : concrete tie failure modes. As a key component in the finite : eleme...

The effect of CO2-fluid-rock interactions on the porosity and permeability of calcite-bearing sandstone

NASA Astrophysics Data System (ADS)

Lamy-Chappuis, B.; Yardley, B.; Grattoni, C.

2013-12-01

Brine acidification following CO2 dissolution will initiate fluid-rock interactions that could significantly modify porosity, permeability and therefore the capacity and injectivity of a reservoir. We have investigated experimentally the dissolution of calcite in sandstone cores injected with CO2-saturated brine, and the effect this has on permeability. A series of CT (Computerized Tomography) - monitored experiments were conducted on a Jurassic sandstone (porosity = 30%, permeability = 10mD, calcite content = 5% in the form of dispersed shell fragments). Brine saturated with CO2 at pressures up to 1 MPa was injected into 5cm long, 3.75cm diameter cores at a flow rate of 1 ml/min and room temperature. The data showed quasi-instantaneous dissolution of the calcite even at low CO2 concentrations (0.15 Molar) and high fluid interstitial velocities (1mm/s), with the migration of a calcite dissolution front through the core recorded by successive CT scans. The resulting permeability increase was 60 - 80% whereas the predicted permeability change for the observed increase in porosity is only 10 - 20% using the Kozeny-Carman relationship. This result is particularly significant because the effect of porosity increase on permeability is usually modelled with this relationship, irrespective of the mechanism of porosity increase. Micro-CT scans (pixel resolution: 2.5 microns) of unreacted cores were used to generate 3D porosity models with calcite either treated as solid (pre-reaction model) or converted to pores (post-reaction model). FLUENT simulations performed using these models predicted the observed large relative changes in permeability with calcite dissolution but overestimated absolute permeability by an order of magnitude. This was probably due to the scan resolution being too coarse to correctly model pore throats. The observed large change in permeability for a small change in porosity may have resulted from increase in connectivity, focused dissolution at the pore throats or reduction in tortuosity. SEM (Scanning Electron Microscope) imaging demonstrates dissolution of relatively large isolated shell fragments but this had little effect on the overall connectivity. No calcite cement was observed at the pore throats in the unreacted specimens. The micro-CT scans indicate a modest tortuosity decrease from 2.00 to 1.85 when calcite is dissolved, but this change in tortuosity results from the opening of new flow paths as the dissolution of discrete grains opened new flow paths and created shortcuts, not from changes to the sinuosity of existing pathways. We suggest that the marked discrepancy in the effect of calcite dissolution on permeability between our experimental data and standard models arises because of the very different way in which the porosity is increased (new pathways rather than inflation). While our results cast doubt on the general applicability of standard models for porosity-permeability relationships for situations in which porosity changes by grain-specific reactions, it is encouraging that pore scale modelling is able to reproduce the experimental relationships.

Free-Energy Landscape of the Dissolution of Gibbsite at High pH

DOE Office of Scientific and Technical Information (OSTI.GOV)

Shen, Zhizhang; Kerisit, Sebastien N.; Stack, Andrew G.

The individual elementary reactions involved in the dissolution of a solid into solution remain mostly speculative due to a lack of suitable, direct experimental probes. In this regard, we have applied atomistic simulations to map the free energy landscape of the dissolution of gibbsite from a step edge, as a model of metal hydroxide dissolution. The overall reaction combines kink site formation and kink site propagation. Two individual reactions were found to be rate-limiting for kink site formation, that is, the displacement of Al from a step site to a ledge adatom site and its detachment from ledge/terrace adatom sitesmore » into the solution. As a result, a pool of mobile and labile Al adsorbed species, or adatoms, exists before the release of Al into solution. Because of the quasi-hexagonal symmetry of gibbsite, kink site propagation can occur in multiple directions. Overall, the simulation results will enable the development of microscopic mechanistic models of metal oxide dissolution.« less

An immersed boundary-lattice Boltzmann model for biofilm growth and its impact on the NAPL dissolution in porous media

NASA Astrophysics Data System (ADS)

Benioug, M.; Yang, X.

2017-12-01

The evolution of microbial phase within porous medium is a complex process that involves growth, mortality, and detachment of the biofilm or attachment of moving cells. A better understanding of the interactions among biofilm growth, flow and solute transport and a rigorous modeling of such processes are essential for a more accurate prediction of the fate of pollutants (e.g. NAPLs) in soils. However, very few works are focused on the study of such processes in multiphase conditions (oil/water/biofilm systems). Our proposed numerical model takes into account the mechanisms that control bacterial growth and its impact on the dissolution of NAPL. An Immersed Boundary - Lattice Boltzmann Model (IB-LBM) is developed for flow simulations along with non-boundary conforming finite volume methods (volume of fluid and reconstruction methods) used for reactive solute transport. A sophisticated cellular automaton model is also developed to describe the spatial distribution of bacteria. A series of numerical simulations have been performed on complex porous media. A quantitative diagram representing the transitions between the different biofilm growth patterns is proposed. The bioenhanced dissolution of NAPL in the presence of biofilms is simulated at the pore scale. A uniform dissolution approach has been adopted to describe the temporal evolution of trapped blobs. Our simulations focus on the dissolution of NAPL in abiotic and biotic conditions. In abiotic conditions, we analyze the effect of the spatial distribution of NAPL blobs on the dissolution rate under different assumptions (blobs size, Péclet number). In biotic conditions, different conditions are also considered (spatial distribution, reaction kinetics, toxicity) and analyzed. The simulated results are consistent with those obtained from the literature.

A mechanistic modelling approach to polymer dissolution using magnetic resonance microimaging.

PubMed

Kaunisto, Erik; Abrahmsen-Alami, Susanna; Borgquist, Per; Larsson, Anette; Nilsson, Bernt; Axelsson, Anders

2010-10-15

In this paper a computationally efficient mathematical model describing the swelling and dissolution of a polyethylene oxide tablet is presented. The model was calibrated against polymer release, front position and water concentration profile data inside the gel layer, using two different diffusion models. The water concentration profiles were obtained from magnetic resonance microimaging data which, in addition to the previously used texture analysis method, can help to validate and discriminate between the mechanisms of swelling, diffusion and erosion in relation to the dissolution process. Critical parameters were identified through a comprehensive sensitivity analysis, and the effect of hydrodynamic shearing was investigated by using two different stirring rates. Good agreement was obtained between the experimental results and the model. Copyright © 2010 Elsevier B.V. All rights reserved.

Bearing capacity and rigidity of short plastic-concrete-tubal vertical columns under transverse load

NASA Astrophysics Data System (ADS)

Dolzhenko, A. V.; Naumov, A. E.; Shevchenko, A. E.

2018-03-01

The results of mathematical modeling in determining strain-stress distribution parameters of a short plastic-concrete-tubal vertical column under horizontal load as those in vertical constructions are described. Quantitative parameters of strain-stress distribution during vertical and horizontal loads and horizontal stiffness were determined by finite element modeling. The internal stress in the concrete column core was analyzed according to equivalent stress in Mohr theory of failure. It was determined that the bearing capacity of a short plastic- concrete-tubal vertical column is 25% higher in resistibility and 15% higher in rigidness than those of the caseless concrete columns equal in size. Cracks formation in the core of a short plastic-concrete-tubal vertical column happens under significantly bigger horizontal loads with less amount of concrete spent than that in caseless concrete columns. The significant increase of bearing capacity and cracking resistance of a short plastic-concrete-tubal vertical column under vertical and horizontal loads allows recommending them as highly effective and highly reliable structural wall elements in civil engineering.

Lattice Modeling of Early-Age Behavior of Structural Concrete.

PubMed

Pan, Yaming; Prado, Armando; Porras, Rocío; Hafez, Omar M; Bolander, John E

2017-02-25

The susceptibility of structural concrete to early-age cracking depends on material composition, methods of processing, structural boundary conditions, and a variety of environmental factors. Computational modeling offers a means for identifying primary factors and strategies for reducing cracking potential. Herein, lattice models are shown to be adept at simulating the thermal-hygral-mechanical phenomena that influence early-age cracking. In particular, this paper presents a lattice-based approach that utilizes a model of cementitious materials hydration to control the development of concrete properties, including stiffness, strength, and creep resistance. The approach is validated and used to simulate early-age cracking in concrete bridge decks. Structural configuration plays a key role in determining the magnitude and distribution of stresses caused by volume instabilities of the concrete material. Under restrained conditions, both thermal and hygral effects are found to be primary contributors to cracking potential.

Lattice Modeling of Early-Age Behavior of Structural Concrete

PubMed Central

Pan, Yaming; Prado, Armando; Porras, Rocío; Hafez, Omar M.; Bolander, John E.

2017-01-01

The susceptibility of structural concrete to early-age cracking depends on material composition, methods of processing, structural boundary conditions, and a variety of environmental factors. Computational modeling offers a means for identifying primary factors and strategies for reducing cracking potential. Herein, lattice models are shown to be adept at simulating the thermal-hygral-mechanical phenomena that influence early-age cracking. In particular, this paper presents a lattice-based approach that utilizes a model of cementitious materials hydration to control the development of concrete properties, including stiffness, strength, and creep resistance. The approach is validated and used to simulate early-age cracking in concrete bridge decks. Structural configuration plays a key role in determining the magnitude and distribution of stresses caused by volume instabilities of the concrete material. Under restrained conditions, both thermal and hygral effects are found to be primary contributors to cracking potential. PMID:28772590

Bond between smooth prestressing wires and concrete : finite element model and transfer length analysis for pretensioned concrete crossties.

DOT National Transportation Integrated Search

2014-04-03

Pretensioned concrete ties are increasingly employed in railroad high speed : and heavy haul applications. The bond between prestressing wires or strands and : concrete plays an important role in determining the transfer length of pretensioned : conc...

An In situ Analysis of the Dissolution Characteristics of Half Pitch Line and Space Extreme Ultraviolet Lithography Resist Patterns

NASA Astrophysics Data System (ADS)

Santillan, Julius Joseph; Itani, Toshiro

2013-06-01

The characterization of the resist dissolution is one fundamental area of research that has been continuously investigated. This paper focuses on the preliminary work on the application the high speed atomic force microscope (HS-AFM) for the in situ dissolution analysis half-pitch (hp) lines and spaces (L/S) at standard developer concentration. In earlier works, this has been difficult but through extensive optimization and the use of carbon nano fiber-tipped cantilevers, the dissolution characterization of a 32 nm hp L/S pattern at 0.26 N aqueous tetramethylammonium hydroxide developer (standard developer concentration) was successfully achieved. Based on the results obtained using the EIDEC standard resist (ESR1) it was found that regardless of analysis condition such as resist pattern configuration (isolated or L/S pattern) and developer concentration (diluted or standard), similar dissolution characteristics in the form of resist swelling of exposed areas was observed. Moreover, further investigations using other types of model resist polymer platforms such as poly(hydroxystyrene) (PHS)-based and hybrid (PHS-methacryl)-based model resists have confirmed that dissolution behavior is not affected by the analysis conditions applied.

Experimental Study and Reactive Transport Modeling of Boric Acid Leaching of Concrete

NASA Astrophysics Data System (ADS)

Pabalan, R. T.; Chiang, K.-T. K.

2013-07-01

Borated water leakage through spent fuel pools (SFPs) at pressurized water reactors is a concern because it could cause corrosion of reinforcement steel in the concrete structure, compromise the integrity of the structure, or cause unmonitored releases of contaminated water to the environment. Experimental data indicate that pH is a critical parameter that determines the corrosion susceptibility of rebar in borated water and the degree of concrete degradation by boric acid leaching. In this study, reactive transport modeling of concrete leaching by borated water was performed to provide information on the solution pH in the concrete crack or matrix and the degree of concrete degradation at different locations of an SFP concrete structure exposed to borated water. Simulations up to 100 years were performed using different boric acid concentrations, crack apertures, and solution flow rates. Concrete cylinders were immersed in boric acid solutions for several months and the mineralogical changes and boric acid penetration in the concrete cylinder were evaluated as a function of time. The depths of concrete leaching by boric acid solution derived from the reactive transport simulations were compared with the measured boric acid penetration depth.

Gastric Outlet Obstruction--An Unexpected Complication during Coca-Cola Therapy for a Gastric Bezoar: A Case Report and Literature Review.

PubMed

Lu, Lei; Zhang, Xiao-Feng

2016-01-01

Gastric bezoars are concretions of undigested material, and Coca-Cola therapy is an easy, efficacious and safe approach for bezoar treatment. Gastric outlet obstruction due to a migratory gastric bezoar during Coca-Cola therapy is an uncommon presentation and, to the best of our knowledge, no cases have been previously reported. We herein describe one such case with no known predisposing factors that recovered via the endoscopic technique. A thorough literature search was performed, which yielded eight relevant patients from seven publications, all of who developed gastrointestinal obstruction during dissolution treatment and recovered uneventfully after surgical intervention. In conclusion, this potential complication should be kept in mind in the event that alternative treatment is necessary.

Mixed formulation for seismic analysis of composite steel-concrete frame structures

NASA Astrophysics Data System (ADS)

Ayoub, Ashraf Salah Eldin

This study presents a new finite element model for the nonlinear analysis of structures made up of steel and concrete under monotonic and cyclic loads. The new formulation is based on a two-field mixed formulation. In the formulation, both forces and deformations are simultaneously approximated within the element through independent interpolation functions. The main advantages of the model is the accuracy in global and local response with very few elements while maintaining rapid numerical convergence and robustness even under severe cyclic loading. Overall four elements were developed based on the new formulation: an element that describes the behavior of anchored reinforcing bars, an element that describes the behavior of composite steel-concrete beams with deformable shear connectors, an element that describes the behavior of reinforced concrete beam-columns with bond-slip, and an element that describes the behavior of pretensioned or posttensioned, bonded or unbonded prestressed concrete structures. The models use fiber discretization of beam sections to describe nonlinear material response. The transfer of forces between steel and concrete is described with bond elements. Bond elements are modeled with distributed spring elements. The non-linear behavior of the composite element derives entirely from the constitutive laws of the steel, concrete and bond elements. Two additional elements are used for the prestressed concrete models, a friction element that models the effect of friction between the tendon and the duct during the posttensioning operation, and an anchorage element that describes the behavior of the prestressing tendon anchorage in posttensioned structures. Two algorithms for the numerical implementation of the new proposed model are presented; an algorithm that enforces stress continuity at element boundaries, and an algorithm in which stress continuity is relaxed locally inside the element. Stability of both algorithms is discussed. Comparison with standard displacement based models and earlier flexibility based models is presented through numerical studies. The studies prove the superiority of the mixed model over both displacement and flexibility models. Correlation studies of the proposed model with experimental results of structural specimens are conducted. The studies show the accuracy of the model and its numerical robustness even under severe cyclic loading conditions.

Two-phase convective CO 2 dissolution in saline aquifers

DOE PAGES

Martinez, Mario J.; Hesse, Marc A.

2016-01-30

Geologic carbon storage in deep saline aquifers is a promising technology for reducing anthropogenic emissions into the atmosphere. Dissolution of injected CO 2 into resident brines is one of the primary trapping mechanisms generally considered necessary to provide long-term storage security. Given that diffusion of CO 2 in brine is woefully slow, convective dissolution, driven by a small increase in brine density with CO 2 saturation, is considered to be the primary mechanism of dissolution trapping. Previous studies of convective dissolution have typically only considered the convective process in the single-phase region below the capillary transition zone and have eithermore » ignored the overlying two-phase region where dissolution actually takes place or replaced it with a virtual region with reduced or enhanced constant permeability. Our objective is to improve estimates of the long-term dissolution flux of CO 2 into brine by including the capillary transition zone in two-phase model simulations. In the fully two-phase model, there is a capillary transition zone above the brine-saturated region over which the brine saturation decreases with increasing elevation. Our two-phase simulations show that the dissolution flux obtained by assuming a brine-saturated, single-phase porous region with a closed upper boundary is recovered in the limit of vanishing entry pressure and capillary transition zone. For typical finite entry pressures and capillary transition zone, however, convection currents penetrate into the two-phase region. As a result, this removes the mass transfer limitation of the diffusive boundary layer and enhances the convective dissolution flux of CO 2 more than 3 times above the rate assuming single-phase conditions.« less

Phagosomal pH and glass fiber dissolution in cultured nasal epithelial cells and alveolar macrophages: a preliminary study.

PubMed Central

Johnson, N F

1994-01-01

The dissolution rate of glass fibers has been shown to be pH sensitive using in vitro lung fluid simulant models. The current study investigated whether there is a difference in phagosomal pH (ppH) between rat alveolar macrophages (AM) and rat nasal epithelial cells (RNEC) and whether such a difference would influence the dissolution of glass fibers. The ppH was measured in cultured AM and RNEC using flow cytometric, fluorescence-emission rationing techniques with fluorescein-labeled, amorphous silica particles. Glass fiber dissolution was determined in AM and RNEC cultured for 3 weeks with fast dissolving glass fibers (GF-A) or slow dissolving ones (GF-B). The mean diameters of GF-A were 2.7 microns and of GF-B, 2.6 microns, the average length of both fibers was approximately 22 to 25 microns. Dissolution was monitored by measuring the length and diameter of intracellular fibers and estimating the volume, assuming a cylindrical morphology. The ppH of AM was 5.2 to 5.8, and the ppH of RNEC was 7.0 to 7.5. The GF-A dissolved more slowly in RNEC than in AM, and no dissolution was evident in either cell type with GF-B. The volume loss with GF-A after a 3-week culture with AM was 66% compared to 45% for cultured RNEC. These results are different from those obtained using in vitro lung fluid-simulant models where dissolution is faster at higher pH. This difference suggests that dissolution rates of glass fibers in AM should not be applied to the dissolution of fibers in epithelial cells. Images Figure 1. a Figure 1. b Figure 2. a Figure 2. b Figure 3. a Figure 3. b PMID:7882965

Modeling Framework for Fracture in Multiscale Cement-Based Material Structures

PubMed Central

Qian, Zhiwei; Schlangen, Erik; Ye, Guang; van Breugel, Klaas

2017-01-01

Multiscale modeling for cement-based materials, such as concrete, is a relatively young subject, but there are already a number of different approaches to study different aspects of these classical materials. In this paper, the parameter-passing multiscale modeling scheme is established and applied to address the multiscale modeling problem for the integrated system of cement paste, mortar, and concrete. The block-by-block technique is employed to solve the length scale overlap challenge between the mortar level (0.1–10 mm) and the concrete level (1–40 mm). The microstructures of cement paste are simulated by the HYMOSTRUC3D model, and the material structures of mortar and concrete are simulated by the Anm material model. Afterwards the 3D lattice fracture model is used to evaluate their mechanical performance by simulating a uniaxial tensile test. The simulated output properties at a lower scale are passed to the next higher scale to serve as input local properties. A three-level multiscale lattice fracture analysis is demonstrated, including cement paste at the micrometer scale, mortar at the millimeter scale, and concrete at centimeter scale. PMID:28772948

A critical evaluation of the local-equilibrium assumption in modeling NAPL-pool dissolution

NASA Astrophysics Data System (ADS)

Seagren, Eric A.; Rittmann, Bruce E.; Valocchi, Albert J.

1999-07-01

An analytical modeling analysis was used to assess when local equilibrium (LE) and nonequilibrium (NE) modeling approaches may be appropriate for describing nonaqueous-phase liquid (NAPL) pool dissolution. NE mass-transfer between NAPL pools and groundwater is expected to affect the dissolution flux under conditions corresponding to values of Sh'St (the modified Sherwood number ( Lxkl/ Dz) multiplied by the Stanton number ( kl/ vx))<≈400. A small Sh'St can be brought about by one or more of: a large average pore water velocity ( vx), a large transverse dispersivity ( αz), a small pool length ( Lx), or a small mass-transfer coefficient ( kl). On the other hand, at Sh'St>≈400, the NE and LE solutions converge, and the LE assumption is appropriate. Based on typical groundwater conditions, many cases of interest are expected to fall in this range. The parameter with the greatest impact on Sh'St is kl. The NAPL pool mass-transfer coefficient correlation of Pfannkuch [Pfannkuch, H.-O., 1984. Determination of the contaminant source strength from mass exchange processes at the petroleum-ground-water interface in shallow aquifer systems. In: Proceedings of the NWWA/API Conference on Petroleum Hydrocarbons and Organic Chemicals in Ground Water—Prevention, Detection, and Restoration, Houston, TX. Natl. Water Well Assoc., Worthington, OH, Nov. 1984, pp. 111-129.] was evaluated using the toluene pool data from Seagren et al. [Seagren, E.A., Rittmann, B.E., Valocchi, A.J., 1998. An experimental investigation of NAPL-pool dissolution enhancement by flushing. J. Contam. Hydrol., accepted.]. Dissolution flux predictions made with kl calculated using the Pfannkuch correlation were similar to the LE model predictions, and deviated systematically from predictions made using the average overall kl=4.76 m/day estimated by Seagren et al. [Seagren, E.A., Rittmann, B.E., Valocchi, A.J., 1998. An experimental investigation of NAPL-pool dissolution enhancement by flushing. J. Contam. Hydrol., accepted.] and from the experimental data for vx>18 m/day. The Pfannkuch correlation kl was too large for vx>≈10 m/day, possibly because of the relatively low Peclet number data used by Pfannkuch [Pfannkuch, H.-O., 1984. Determination of the contaminant source strength from mass exchange processes at the petroleum-ground-water interface in shallow aquifer systems. In: Proceedings of the NWWA/API Conference on Petroleum Hydrocarbons and Organic Chemicals in Ground Water—Prevention, Detection, and Restoration, Houston, TX. Natl. Water Well Assoc., Worthington, OH, Nov. 1984, pp. 111-129.]. The results of the modeling analyses were evaluated by comparing pool dissolution fluxes from the literature to each other and to the corresponding LE and NE model predictions. The LE model described most of the pool dissolution flux data reasonably well, given the uncertainty in some of the model parameter estimates, suggesting that the LE model can be a useful tool for describing steady-state NAPL pool dissolution under some conditions. However, a conclusive test of the LE assumption was difficult due to the limited range of experimental conditions covered and the uncertainties in some of the model input parameters, including the mass-transfer coefficient correlation required for the NE model.

Atomic force microscopy of atomic-scale ledges and etch pits formed during dissolution of quartz

NASA Technical Reports Server (NTRS)

Gratz, A. J.; Manne, S.; Hansma, P. K.

1991-01-01

The processes involved in the dissolution and growth of crystals are closely related. Atomic force microscopy (AFM) of faceted pits (called negative crystals) formed during quartz dissolution reveals subtle details of these underlying physical mechanisms for silicates. In imaging these surfaces, the AFM detected ledges less than 1 nm high that were spaced 10 to 90 nm apart. A dislocation pit, invisible to optical and scanning electron microscopy measurements and serving as a ledge source, was also imaged. These observations confirm the applicability of ledge-motion models to dissolution and growth of silicates; coupled with measurements of dissolution rate on facets, these methods provide a powerful tool for probing mineral surface kinetics.

Improving Non-Destructive Concrete Strength Tests Using Support Vector Machines

PubMed Central

Shih, Yi-Fan; Wang, Yu-Ren; Lin, Kuo-Liang; Chen, Chin-Wen

2015-01-01

Non-destructive testing (NDT) methods are important alternatives when destructive tests are not feasible to examine the in situ concrete properties without damaging the structure. The rebound hammer test and the ultrasonic pulse velocity test are two popular NDT methods to examine the properties of concrete. The rebound of the hammer depends on the hardness of the test specimen and ultrasonic pulse travelling speed is related to density, uniformity, and homogeneity of the specimen. Both of these two methods have been adopted to estimate the concrete compressive strength. Statistical analysis has been implemented to establish the relationship between hammer rebound values/ultrasonic pulse velocities and concrete compressive strength. However, the estimated results can be unreliable. As a result, this research proposes an Artificial Intelligence model using support vector machines (SVMs) for the estimation. Data from 95 cylinder concrete samples are collected to develop and validate the model. The results show that combined NDT methods (also known as SonReb method) yield better estimations than single NDT methods. The results also show that the SVMs model is more accurate than the statistical regression model. PMID:28793627

Forward problem studies of electrical resistance tomography system on concrete materials

NASA Astrophysics Data System (ADS)

Ang, Vernoon; Rahiman, M. H. F.; Rahim, R. A.; Aw, S. R.; Wahab, Y. A.; Thomas W. K., T.; Siow, L. T.

2017-03-01

Electrical resistance tomography (ERT) is well known as non-invasive imaging technique, inexpensive, radiation free, visualization measurements of the multiphase flows and frequently applied in geophysical, medical and Industrial Process Tomography (IPT) applications. Application of ERT in concrete is a new exploration field, which can be used in monitoring and detecting the health and condition of concrete without destroying it. In this paper, ERT model under the condition of concrete is studied in which the sensitivity field model is produced and simulated by using COMSOL software. The affects brought by different current injection values with different concrete conductivity are studied in detail. This study able to provide the important direction for the further study of inverse problem in ERT system. Besides, the results of this technique hopefully can open a new exploration in inspection method of concrete structures in order to maintain the health of the concrete structure for civilian safety.

Effects of Pump Pulsation on Hydrodynamic Properties and Dissolution Profiles in Flow-Through Dissolution Systems (USP 4).

PubMed

Yoshida, Hiroyuki; Kuwana, Akemi; Shibata, Hiroko; Izutsu, Ken-Ichi; Goda, Yukihiro

2016-06-01

To clarify the effects of pump pulsation and flow-through cell (FTC) dissolution system settings on the hydrodynamic properties and dissolution profiles of model formulations. Two FTC systems with different cell temperature control mechanisms were used. Particle image velocimetry (PIV) was used to analyze the hydrodynamic properties of test solutions in the flow-through dissolution test cell. Two pulsation pumps (semi-sine, full-sine) and a non-pulsatile pump were used to study the effects of varied flows on the dissolution profiles of United States Pharmacopeia standard tablets. PIV analysis showed periodic changes in the aligned upward fluid flow throughout the dissolution cell that was designed to reduce the temperature gradient during pump pulsation (0.5 s/pulse). The maximum instantaneous flow from the semi-sine pump was higher than that of the full-sine pump under all conditions. The flow from the semi-sine wave pump showed faster dissolution of salicylic acid and prednisone tablets than those from other pumps. The semi-sine wave pump flow showed similar dissolution profiles in the two FTC systems. Variations in instantaneous fluid flow caused by pump pulsation that meets the requirements of pharmacopoeias are a factor that affects the dissolution profiles of tablets in FTC systems.

Field-scale prediction of enhanced DNAPL dissolution based on partitioning tracers.

PubMed

Wang, Fang; Annable, Michael D; Jawitz, James W

2013-09-01

The equilibrium streamtube model (EST) has demonstrated the ability to accurately predict dense nonaqueous phase liquid (DNAPL) dissolution in laboratory experiments and numerical simulations. Here the model is applied to predict DNAPL dissolution at a tetrachloroethylene (PCE)-contaminated dry cleaner site, located in Jacksonville, Florida. The EST model is an analytical solution with field-measurable input parameters. Measured data from a field-scale partitioning tracer test were used to parameterize the EST model and the predicted PCE dissolution was compared to measured data from an in-situ ethanol flood. In addition, a simulated partitioning tracer test from a calibrated, three-dimensional, spatially explicit multiphase flow model (UTCHEM) was also used to parameterize the EST analytical solution. The EST ethanol prediction based on both the field partitioning tracer test and the simulation closely matched the total recovery well field ethanol data with Nash-Sutcliffe efficiency E=0.96 and 0.90, respectively. The EST PCE predictions showed a peak shift to earlier arrival times for models based on either field-measured or simulated partitioning tracer tests, resulting in poorer matches to the field PCE data in both cases. The peak shifts were concluded to be caused by well screen interval differences between the field tracer test and ethanol flood. Both the EST model and UTCHEM were also used to predict PCE aqueous dissolution under natural gradient conditions, which has a much less complex flow pattern than the forced-gradient double five spot used for the ethanol flood. The natural gradient EST predictions based on parameters determined from tracer tests conducted with a complex flow pattern underestimated the UTCHEM-simulated natural gradient total mass removal by 12% after 170 pore volumes of water flushing indicating that some mass was not detected by the tracers likely due to stagnation zones in the flow field. These findings highlight the important influence of well configuration and the associated flow patterns on dissolution. © 2013.

Field-scale prediction of enhanced DNAPL dissolution based on partitioning tracers

NASA Astrophysics Data System (ADS)

Wang, Fang; Annable, Michael D.; Jawitz, James W.

2013-09-01

The equilibrium streamtube model (EST) has demonstrated the ability to accurately predict dense nonaqueous phase liquid (DNAPL) dissolution in laboratory experiments and numerical simulations. Here the model is applied to predict DNAPL dissolution at a tetrachloroethylene (PCE)-contaminated dry cleaner site, located in Jacksonville, Florida. The EST model is an analytical solution with field-measurable input parameters. Measured data from a field-scale partitioning tracer test were used to parameterize the EST model and the predicted PCE dissolution was compared to measured data from an in-situ ethanol flood. In addition, a simulated partitioning tracer test from a calibrated, three-dimensional, spatially explicit multiphase flow model (UTCHEM) was also used to parameterize the EST analytical solution. The EST ethanol prediction based on both the field partitioning tracer test and the simulation closely matched the total recovery well field ethanol data with Nash-Sutcliffe efficiency E = 0.96 and 0.90, respectively. The EST PCE predictions showed a peak shift to earlier arrival times for models based on either field-measured or simulated partitioning tracer tests, resulting in poorer matches to the field PCE data in both cases. The peak shifts were concluded to be caused by well screen interval differences between the field tracer test and ethanol flood. Both the EST model and UTCHEM were also used to predict PCE aqueous dissolution under natural gradient conditions, which has a much less complex flow pattern than the forced-gradient double five spot used for the ethanol flood. The natural gradient EST predictions based on parameters determined from tracer tests conducted with a complex flow pattern underestimated the UTCHEM-simulated natural gradient total mass removal by 12% after 170 pore volumes of water flushing indicating that some mass was not detected by the tracers likely due to stagnation zones in the flow field. These findings highlight the important influence of well configuration and the associated flow patterns on dissolution.

Modeling of the Nonlinear Interface in Reinforced Concrete

NASA Astrophysics Data System (ADS)

Curiel Sosa, J. L.

2010-04-01

This article presents a novel scheme for modeling of reinforced concrete. The strategy takes into account the nonlinear behavior of the concrete as well as the debonding in the interface. The proposed technique solves the kinematic and kinetic jump in the interface by performing sub-cycles over the constituents-reinforcing bar and concrete-jointly with an innovative interface constitutive law. Application to pull-out problems is performed to show the capabilities of the proposed methodology by means of comparison with available experimental data.

Numerical analysis of composite STEEL-CONCRETE SECTIONS using integral equation of Volterra

NASA Astrophysics Data System (ADS)

Partov, Doncho; Kantchev, Vesselin

2011-09-01

The paper presents analysis of the stress and deflections changes due to creep in statically determinate composite steel-concrete beam. The mathematical model involves the equation of equilibrium, compatibility and constitutive relationship, i.e. an elastic law for the steel part and an integral-type creep law of Boltzmann — Volterra for the concrete part. On the basis of the theory of the viscoelastic body of Arutyunian-Trost-Bažant for determining the redistribution of stresses in beam section between concrete plate and steel beam with respect to time "t", two independent Volterra integral equations of the second kind have been derived. Numerical method based on linear approximation of the singular kernal function in the integral equation is presented. Example with the model proposed is investigated. The creep functions is suggested by the model CEB MC90-99 and the "ACI 209R-92 model. The elastic modulus of concrete E c (t) is assumed to be constant in time `t'. The obtained results from the both models are compared.

Bi-directional evolutionary structural optimization for strut-and-tie modelling of three-dimensional structural concrete

NASA Astrophysics Data System (ADS)

Shobeiri, Vahid; Ahmadi-Nedushan, Behrouz

2017-12-01

This article presents a method for the automatic generation of optimal strut-and-tie models in reinforced concrete structures using a bi-directional evolutionary structural optimization method. The methodology presented is developed for compliance minimization relying on the Abaqus finite element software package. The proposed approach deals with the generation of truss-like designs in a three-dimensional environment, addressing the design of corbels and joints as well as bridge piers and pile caps. Several three-dimensional examples are provided to show the capabilities of the proposed framework in finding optimal strut-and-tie models in reinforced concrete structures and verifying its efficiency to cope with torsional actions. Several issues relating to the use of the topology optimization for strut-and-tie modelling of structural concrete, such as chequerboard patterns, mesh-dependency and multiple load cases, are studied. In the last example, a design procedure for detailing and dimensioning of the strut-and-tie models is given according to the American Concrete Institute (ACI) 318-08 provisions.

Pinaverium Bromide: Development and Validation of Spectrophotometric Methods for Assay and Dissolution Studies.

PubMed

Martins, Danielly da Fonte Carvalho; Florindo, Lorena Coimbra; Machado, Anna Karolina Mouzer da Silva; Todeschini, Vítor; Sangoi, Maximiliano da Silva

2017-11-01

This study presents the development and validation of UV spectrophotometric methods for the determination of pinaverium bromide (PB) in tablet assay and dissolution studies. The methods were satisfactorily validated according to International Conference on Harmonization guidelines. The response was linear (r2 > 0.99) in the concentration ranges of 2-14 μg/mL at 213 nm and 10-70 μg/mL at 243 nm. The LOD and LOQ were 0.39 and 1.31 μg/mL, respectively, at 213 nm. For the 243 nm method, the LOD and LOQ were 2.93 and 9.77 μg/mL, respectively. Precision was evaluated by RSD, and the obtained results were lower than 2%. Adequate accuracy was also obtained. The methods proved to be robust using a full factorial design evaluation. For PB dissolution studies, the best conditions were achieved using a United States Pharmacopeia Dissolution Apparatus 2 (paddle) at 50 rpm and with 900 mL 0.1 M hydrochloric acid as the dissolution medium, presenting satisfactory results during the validation tests. In addition, the kinetic parameters of drug release were investigated using model-dependent methods, and the dissolution profiles were best described by the first-order model. Therefore, the proposed methods were successfully applied for the assay and dissolution analysis of PB in commercial tablets.

Reactive-transport modelling of gypsum dissolution in a coastal karst aquifer in Puglia, southern Italy

NASA Astrophysics Data System (ADS)

Campana, Claudia; Fidelibus, Maria Dolores

2015-11-01

The gypsum coastal aquifer of Lesina Marina (Puglia, southern Italy) has been affected by sinkhole formation in recent decades. Previous studies based on geomorphologic and hydrogeological data ascribed the onset of collapse phenomena to the erosion of material that fills palaeo-cavities (suffosion sinkholes). The change in the hydrodynamic conditions of groundwater induced by the excavation of a canal within the evaporite formation nearly 100 years ago was identified as the major factor in triggering the erosion, while the contribution of gypsum dissolution was considered negligible. A combined reactive-transport/density-dependent flow model was applied to the gypsum aquifer to evaluate whether gypsum dissolution rate is a dominant or insignificant factor in recent sinkhole formation under current hydrodynamic conditions. The conceptual model was first defined with a set of assumptions based on field and laboratory data along a two-dimensional transect of the aquifer, and then a density-dependent, tide-influenced flow model was set up and solved using the numerical code SEAWAT. Finally, the resulting transient flow field was used by the reactive multicomponent transport model PHT3D to estimate the gypsum dissolution rate. The validation tests show that the model accurately represents the real system, and the multi-disciplinary approach provides consistent information about the causes and evolution time of dissolution processes. The modelled porosity development rate is too low to represent a significant contribution to the recent sinkhole formation in the Lesina Marina area, although it justifies cavity formation and cavity position over geological time.

To What Degree Does Handling Concrete Molecular Models Promote the Ability to Translate and Coordinate between 2D and 3D Molecular Structure Representations? A Case Study with Algerian Students

ERIC Educational Resources Information Center

Mohamed-Salah, Boukhechem; Alain, Dumon

2016-01-01

This study aims to assess whether the handling of concrete ball-and-stick molecular models promotes translation between diagrammatic representations and a concrete model (or vice versa) and the coordination of the different types of structural representations of a given molecular structure. Forty-one Algerian undergraduate students were requested…

Modeling of the attenuation of stress waves in concrete based on the Rayleigh damping model using time-reversal and PZT transducers

NASA Astrophysics Data System (ADS)

Tian, Zhen; Huo, Linsheng; Gao, Weihang; Li, Hongnan; Song, Gangbing

2017-10-01

Wave-based concrete structural health monitoring has attracted much attention. A stress wave experiences significant attenuation in concrete, however there is a lack of a unified method for predicting the attenuation coefficient of the stress wave. In this paper, a simple and effective absorption attenuation model of stress waves in concrete is developed based on the Rayleigh damping model, which indicates that the absorption attenuation coefficient of stress waves in concrete is directly proportional to the square of the stress wave frequency when the damping ratio is small. In order to verify the theoretical model, related experiments were carried out. During the experiments, a concrete beam was designed in which the d33-model piezoelectric smart aggregates were embedded to detect the propagation of stress waves. It is difficult to distinguish direct stress waves due to the complex propagation paths and the reflection and scattering of stress waves in concrete. Hence, as another innovation of this paper, a new method for computing the absorption attenuation coefficient based on the time-reversal method is developed. Due to the self-adaptive focusing properties of the time-reversal method, the time-reversed stress wave focuses and generates a peak value. The time-reversal method eliminates the adverse effects of multipaths, reflection, and scattering. The absorption attenuation coefficient is computed by analyzing the peak value changes of the time-reversal focused signal. Finally, the experimental results are found to be in good agreement with the theoretical model.

Social assistance and conjugal union dissolution in Canada: a dynamic analysis.

PubMed

Lefebvre, P; Merrigan, P

1997-02-01

"Using Statistics Canada's General Social Survey on Family and Friends, carried out in 1990, we piece together the matrimonial and conjugal life history of a large sample of Canadian men and women. We then estimate duration models (Cox's proportional hazard models) describing the evolutionary laws of marriages and unions, which depend on various economic or socio-demographic explanatory variables. The empirical modelling focuses primarily on estimating the impact of couples' earned incomes and of provincial welfare programs on the dissolution rate of first marriages and unions....We...find that welfare benefits do not have an impact on the hazard of union dissolution and that earned incomes have a positive effect on conjugal stability." (EXCERPT)

Dissolution of a Tetrachloroethene (PCE) pool in an Anaerobic Sand Tank Aquifer System: Bioenhancement, Ecology, and Hydrodynamics

NASA Astrophysics Data System (ADS)

Klemm, Sara; Becker, Jennifer; Seagren, Eric

2017-04-01

Dehalorespiring bacteria that reductively dechlorinate and grow on chlorinated ethenes in the aqueous phase can also achieve treatment of dense nonaqueous phase liquid (DNAPL) contaminants in the subsurface via bioenhanced dissolution, i.e., enhanced mass transfer from the DNAPL to the aqueous phase. Theoretical and experimental analyses predict that a number of interrelated physicochemical processes (e.g., advection and dispersion) and biological factors (e.g., biokinetics and competition) may influence the degree of bioenhancement. This research focused on understanding the interrelated roles that hydrodynamics and ecological interactions among dehalorespiring populations play in determining the distribution of dehalorespiring populations and the impact on bioenhanced dissolution and detoxification. The hypotheses driving this research are that: (1) ecological interactions between different dehalorespiring strains can significantly impact the dissolution rate bioenhancement and extent of dechlorination; and (2) hydrodynamics near the DNAPL pool will affect the outcome of ecological interactions and the potential for bioenhancement and detoxification. These hypotheses were evaluated via a multi-objective modeling and experimental framework focused on quantifying the impact of microbial interactions and hydrodynamics on the dissolution rate bioenhancement and plume detoxification using a model co-culture of Desulfuromonas michiganensis BB1 and Dehalococcoides mccartyi 195. The experiments were performed in a saturated intermediate-scale flow cell (1.2 m), with flow parallel to a tetrachloroethene (PCE) pool. Bioenhancement of PCE dissolution by the two dehalorespirers was evaluated using a steady-state mass balance, and initially resulted in a two- to three-fold increase in the dissolution rate, with cis-dichloroethene (cDCE) as the primary dechlorination product. Quantitative analysis of microbial population distribution and abundance using a 16S rRNA gene-based qPCR approach indicated that Dsm. michiganensis BB1 was the dominant population in the effluent. This was expected based on our previous work characterizing the PCE utilization kinetics of the two populations, and suggests that Dsm. michiganensis BB1 was the dominant population in the aquifer system and controlled PCE dissolution and its bioenhancement. This conclusion is consistent with our numerical modeling predictions for the same conditions, which suggested Dhc. mccartyi 195 had little effect on dissolution and dehalorespiration, but aided detoxification by growing on the cDCE produced by Dsm. michiganensis BB1. Subsequently, the PCE dissolution enhancement increased to six- to seven-fold relative to the abiotic dissolution rate. Quantitative analysis of population distribution and abundance in the porous media and nonreactive tracer studies suggested that microbial growth-induced bioclogging, coupled with inhibition of microbial activity near the DNAPL, resulted in increased flow immediately adjacent to the DNAPL-aqueous interface. The increased flow rate past the DNAPL could explain the observed increase in the PCE dissolution rate and is consistent with our numerical modeling of the system. The research described here is part of a larger project working to improve the fundamental understanding of the impact of hydrodynamics and ecological interactions on DNAPL dissolution rate bioenhancement and plume detoxification. These biotic data build on the baseline abiotic experiments reported in another abstract submitted to Session HS8.1.6.

Nonlinear micromechanics-based finite element analysis of the interfacial behaviour of FRP-strengthened reinforced concrete beams

NASA Astrophysics Data System (ADS)

Abd El Baky, Hussien

This research work is devoted to theoretical and numerical studies on the flexural behaviour of FRP-strengthened concrete beams. The objectives of this research are to extend and generalize the results of simple experiments, to recommend new design guidelines based on accurate numerical tools, and to enhance our comprehension of the bond performance of such beams. These numerical tools can be exploited to bridge the existing gaps in the development of analysis and modelling approaches that can predict the behaviour of FRP-strengthened concrete beams. The research effort here begins with the formulation of a concrete model and development of FRP/concrete interface constitutive laws, followed by finite element simulations for beams strengthened in flexure. Finally, a statistical analysis is carried out taking the advantage of the aforesaid numerical tools to propose design guidelines. In this dissertation, an alternative incremental formulation of the M4 microplane model is proposed to overcome the computational complexities associated with the original formulation. Through a number of numerical applications, this incremental formulation is shown to be equivalent to the original M4 model. To assess the computational efficiency of the incremental formulation, the "arc-length" numerical technique is also considered and implemented in the original Bazant et al. [2000] M4 formulation. Finally, the M4 microplane concrete model is coded in FORTRAN and implemented as a user-defined subroutine into the commercial software package ADINA, Version 8.4. Then this subroutine is used with the finite element package to analyze various applications involving FRP strengthening. In the first application a nonlinear micromechanics-based finite element analysis is performed to investigate the interfacial behaviour of FRP/concrete joints subjected to direct shear loadings. The intention of this part is to develop a reliable bond--slip model for the FRP/concrete interface. The bond--slip relation is developed considering the interaction between the interfacial normal and shear stress components along the bonded length. A new approach is proposed to describe the entire tau-s relationship based on three separate models. The first model captures the shear response of an orthotropic FRP laminate. The second model simulates the shear characteristics of an adhesive layer, while the third model represents the shear nonlinearity of a thin layer inside the concrete, referred to as the interfacial layer. The proposed bond--slip model reflects the geometrical and material characteristics of the FRP, concrete, and adhesive layers. Two-dimensional and three-dimensional nonlinear displacement-controlled finite element (FE) models are then developed to investigate the flexural and FRP/concrete interfacial responses of FRP-strengthened reinforced concrete beams. The three-dimensional finite element model is created to accommodate cases of beams having FRP anchorage systems. Discrete interface elements are proposed and used to simulate the FRP/concrete interfacial behaviour before and after cracking. The FE models are capable of simulating the various failure modes, including debonding of the FRP either at the plate end or at intermediate cracks. Particular attention is focused on the effect of crack initiation and propagation on the interfacial behaviour. This study leads to an accurate and refined interpretation of the plate-end and intermediate crack debonding failure mechanisms for FRP-strengthened beams with and without FRP anchorage systems. Finally, the FE models are used to conduct a parametric study to generalize the findings of the FE analysis. The variables under investigation include two material characteristics; namely, the concrete compressive strength and axial stiffness of the FRP laminates as well as three geometric properties; namely, the steel reinforcement ratio, the beam span length and the beam depth. The parametric study is followed by a statistical analysis for 43 strengthened beams involving the five aforementioned variables. The response surface methodology (RSM) technique is employed to optimize the accuracy of the statistical models while minimizing the numbers of finite element runs. In particular, a face-centred design (FCD) is applied to evaluate the influence of the critical variables on the debonding load and debonding strain limits in the FRP laminates. Based on these statistical models, a nonlinear statistical regression analysis is used to propose design guidelines for the FRP flexural strengthening of reinforced concrete beams. (Abstract shortened by UMI.)

Effect of the size of nanoparticles on their dissolution within metal-glass nanocomposites under sustained irradiation

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vu, T. H. Y., E-mail: thi-hai-yen.vu@polytechnique.edu; Ramjauny, Y.; Rizza, G.

2016-01-21

We investigate the dissolution law of metallic nanoparticles (NPs) under sustained irradiation. The system is composed of isolated spherical gold NPs (4–100 nm) embedded in an amorphous silica host matrix. Samples are irradiated at room temperature in the nuclear stopping power regime with 4 MeV Au ions for fluences up to 8 × 10{sup 16 }cm{sup −2}. Experimentally, the dependence of the dissolution kinetics on the irradiation fluence is linear for large NPs (45–100 nm) and exponential for small NPs (4–25 nm). A lattice-based kinetic Monte Carlo (KMC) code, which includes atomic diffusion and ballistic displacement events, is used to simulate the dynamical competition between irradiation effectsmore » and thermal healing. The KMC simulations allow for a qualitative description of the NP dissolution in two main stages, in good agreement with the experiment. Moreover, the perfect correlation obtained between the evolution of the simulated flux of ejected atoms and the dissolution rate in two stages implies that there exists an effect of the size of NPs on their dissolution and a critical size for the transition between the two stages. The Frost-Russell model providing an analytical solution for the dissolution rate, accounts well for the first dissolution stage but fails in reproducing the data for the second stage. An improved model obtained by including a size-dependent recoil generation rate permits fully describing the dissolution for any NP size. This proves, in particular, that the size effect on the generation rate is the principal reason for the existence of two regimes. Finally, our results also demonstrate that it is justified to use a unidirectional approximation to describe the dissolution of the NP under irradiation, because the solute concentration is particularly low in metal-glass nanocomposites.« less

Damage assessment, characterization, and modeling for enhanced design of concrete bridge decks in cold regions : [project brief].

DOT National Transportation Integrated Search

2015-07-01

Freeze-thaw and fatigue-type loading processes degrade concrete materials and reduce the load carrying capacity of concrete decks. Damage to concrete decks is caused by the formation of cracks and micro-cracks during fatigue and freeze-thaw cycles. T...

The dynamics of household dissolution and change in socio-economic position: A survival model in a rural South Africa

PubMed Central

Sartorius, Kurt; Sartorius, Benn KD; Collinson, Mark A; Tollman, Stephen M

2014-01-01

This paper investigates household dissolution and changes in asset wealth (socio-economic position) in a rural South African community containing settled refugees. Survival analysis applied to a longitudinal dataset indicated that the covariates increasing the risk of forced household dissolution were a reduction in socio-economic position (asset wealth), adult deaths and the permanent outmigration of more than 40% of the household. Conversely, the risk of dissolution was reduced by bigger households, state grants and older household heads. Significant spatial clusters of former refugee villages also showed a higher risk of dissolution after 20 years of permanent residence. A discussion of the dynamics of dissolution showed how an outflow/inflow of household assets (socio-economic position) was precipitated by each of the selected covariates. The paper shows how an understanding of the dynamics of forced household dissolution, combined with the use of geo-spatial mapping, can inform inter-disciplinary policy in a rural community. PMID:25937697

The dynamics of household dissolution and change in socio-economic position: A survival model in a rural South Africa.

PubMed

Sartorius, Kurt; Sartorius, Benn Kd; Collinson, Mark A; Tollman, Stephen M

2014-11-02

This paper investigates household dissolution and changes in asset wealth (socio-economic position) in a rural South African community containing settled refugees. Survival analysis applied to a longitudinal dataset indicated that the covariates increasing the risk of forced household dissolution were a reduction in socio-economic position (asset wealth), adult deaths and the permanent outmigration of more than 40% of the household. Conversely, the risk of dissolution was reduced by bigger households, state grants and older household heads. Significant spatial clusters of former refugee villages also showed a higher risk of dissolution after 20 years of permanent residence. A discussion of the dynamics of dissolution showed how an outflow/inflow of household assets (socio-economic position) was precipitated by each of the selected covariates. The paper shows how an understanding of the dynamics of forced household dissolution, combined with the use of geo-spatial mapping, can inform inter-disciplinary policy in a rural community.

Toward an In Vivo Dissolution Methodology: A Comparison of Phosphate and Bicarbonate Buffers

PubMed Central

Sheng, Jennifer J.; McNamara, Daniel P.; Amidon, Gordon L.

2011-01-01

Purpose To evaluate the difference between the pharmaceutical phosphate buffers and the gastrointestinal bicarbonates in dissolution of ketoprofen and indomethacin, to illustrate the dependence of buffer differential on biopharmaceutical properties of BCS II weak acids, and to recommend phosphate buffers equivalent to bicarbonates. Methods The intrinsic dissolution rates of, ketoprofen and indomethacin, were experimentally measured using rotating disk method at 37°C in USP SIF/FaSSIF and various concentrations of bicarbonates. Theoretical models including an improved reaction plane model and a film model were applied to estimate the surrogate phosphate buffers equivalent to the bicarbonates. Results Experimental results show that the intrinsic dissolution rates of ketoprofen and indomethacin, in USP and FaSSIF phosphate buffers are 1.5–3.0 times of that in the 15 mM bicarbonates. Theoretical analysis demonstrates that the buffer differential is largely dependent on the drug pKa and secondly on solubility, and weakly dependent on the drug diffusivity. Further, in accordance with the drug pKa, solubility and diffusivity, simple phosphate surrogate was proposed to match an average bicarbonate value (15 mM) of the upper gastrointestinal region. Specifically, phosphate buffers of 13–15 mM and 3–4 mM were recommended for ketoprofen and indomethacin, respectively. For both ketoprofen and indomethacin, the intrinsic dissolution using the phosphate surrogate buffers closely approximated the 15 mM bicarbonate buffer. Conclusions This work demonstrates the substantial difference between pharmaceutical phosphates and physiological bicarbonates in determining the drug intrinsic dissolution rates of BCS II weak acids, such as ketoprofen and indomethacin. Surrogate phosphates were recommended in order to closely reflect the in vivo dissolution of ketoprofen and indomethacin in gastrointestinal bicarbonates, which has significant implications for defining buffer systems for BCS II weak acids in developing in vitro bioequivalence dissolution methodology. PMID:19183104

In Vivo Predictive Dissolution: Comparing the Effect of Bicarbonate and Phosphate Buffer on the Dissolution of Weak Acids and Weak Bases.

PubMed

Krieg, Brian J; Taghavi, Seyed Mohammad; Amidon, Gordon L; Amidon, Gregory E

2015-09-01

Bicarbonate is the main buffer in the small intestine and it is well known that buffer properties such as pKa can affect the dissolution rate of ionizable drugs. However, bicarbonate buffer is complicated to work with experimentally. Finding a suitable substitute for bicarbonate buffer may provide a way to perform more physiologically relevant dissolution tests. The dissolution of weak acid and weak base drugs was conducted in bicarbonate and phosphate buffer using rotating disk dissolution methodology. Experimental results were compared with the predicted results using the film model approach of (Mooney K, Mintun M, Himmelstein K, Stella V. 1981. J Pharm Sci 70(1):22-32) based on equilibrium assumptions as well as a model accounting for the slow hydration reaction, CO2 + H2 O → H2 CO3 . Assuming carbonic acid is irreversible in the dehydration direction: CO2 + H2 O ← H2 CO3 , the transport analysis can accurately predict rotating disk dissolution of weak acid and weak base drugs in bicarbonate buffer. The predictions show that matching the dissolution of weak acid and weak base drugs in phosphate and bicarbonate buffer is possible. The phosphate buffer concentration necessary to match physiologically relevant bicarbonate buffer [e.g., 10.5 mM (HCO3 (-) ), pH = 6.5] is typically in the range of 1-25 mM and is very dependent upon drug solubility and pKa . © 2015 Wiley Periodicals, Inc. and the American Pharmacists Association.

Modelling the influence of ionic and fluid transport on rebars corrosion in unsaturated cement systems

NASA Astrophysics Data System (ADS)

Dridi, W.; Dangla, P.; Foct, F.; Petre-Lazar, I.

2006-11-01

This paper deals with numerical modelling of rebar corrosion kinetics in unsaturated concrete structures. The corrosion kinetics is investigated in terms of mechanistic coupling between reaction rates at the steel surface and the ionic transport processes in the concrete pore system. The ionic and mass transport model consists of time-dependent equations for the concentration of dissolved species, the liquid pressure and the electrical potential. The complete set of nonlinear equations is solved using the finite-volume method. The nonlinear boundary conditions dealing with corrosion are introduced at the steel-concrete interface where they are implicitly coupled with the mass transport model in the concrete structure. Both the case of free corrosion and potentiostatic polarisation are discussed in a one dimensional model.

Hydrogeomorphic and ecological control on carbonate dissolution in a patterned landscape in South Florida

NASA Astrophysics Data System (ADS)

Dong, X.; Heffernan, J. B.; Murray, A. B.; Cohen, M. J.; Martin, J. B.

2016-12-01

The evolution of the critical zone both shapes and reflects hydrologic, geochemical, and ecological processes. These interactions are poorly understood in karst landscapes with highly soluble bedrock. In this study, we used the regular-dispersed wetland basins of Big Cypress National Preserve in Florida as a focal case to model the hydrologic, geochemical, and biological mechanisms that affect soil development in karst landscapes. We addressed two questions: (1) What is the minimum timescale for wetland basin development, and (2) do changes in soil depth feed back on dissolution processes and if so by what mechanism? We developed an atmosphere-water-soil model with coupled water-solute transport, incorporating major ion equilibria and kinetic non-equilibrium chemistry, and biogenic acid production via roots distributed through the soil horizon. Under current Florida climate, weathering to a depth of 2 m (a typical depth of wetland basins) would take 4000 6000 yrs, suggesting that landscape pattern could have origins as recent as the most recent stabilization of sea level. Our model further illustrates that interactions between ecological and hydrologic processes influence the rate and depth-dependence of weathering. Absent inundation, dissolution rate decreased exponentially with distance from the bedrock to groundwater table. Inundation generally increased bedrock dissolution, but surface water chemistry and residence time produced complex and non-linear effects on dissolution rate. Biogenic acidity accelerated the dissolution rate by 50 and 1,000 times in inundated and exposed soils. Phase portrait analysis indicated that exponential decreases in bedrock dissolution rate with soil depth could produce stable basin depths. Negative feedback between hydro-period and total basin volume could stabilize the basin radius, but the lesser strength of this mechanism may explain the coalescence of wetland basins observed in some parts of the Big Cypress Landscape.

Self-inhibition can limit biologically enhanced TCE dissolution from a TCE DNAPL.

PubMed

Haest, P J; Springael, D; Seuntjens, P; Smolders, E

2012-11-01

Biodegradation of trichloroethene (TCE) near a Dense Non Aqueous Phase Liquid (DNAPL) can enhance the dissolution rate of the DNAPL by increasing the concentration gradient at the DNAPL-water interface. Two-dimensional flow-through sand boxes containing a TCE DNAPL and inoculated with a TCE dechlorinating consortium were set up to measure this bio-enhanced dissolution under anaerobic conditions. The total mass of TCE and daughter products in the effluent of the biotic boxes was 3-6 fold larger than in the effluent of the abiotic box. However, the mass of daughter products only accounted for 19-55% of the total mass of chlorinated compounds in the effluent, suggesting that bio-enhanced dissolution factors were maximally 1.3-2.2. The enhanced dissolution most likely primarily resulted from variable DNAPL distribution rather than biodegradation. Specific dechlorination rates previously determined in a stirred liquid medium were used in a reactive transport model to identify the rate limiting factors. The model adequately simulated the overall TCE degradation when predicted resident microbial numbers approached observed values and indicated an enhancement factor for TCE dissolution of 1.01. The model shows that dechlorination of TCE in the 2D box was limited due to the short residence time and the self-inhibition of the TCE degradation. A parameter sensitivity analysis predicts that the bio-enhanced dissolution factor for this TCE source zone can only exceed a value of 2 if the TCE self-inhibition is drastically reduced (when a TCE tolerant dehalogenating community is present) or if the DNAPL is located in a low-permeable layer with a small Darcy velocity. Copyright © 2012 Elsevier Ltd. All rights reserved.

Bond–Slip Relationship for CFRP Sheets Externally Bonded to Concrete under Cyclic Loading

PubMed Central

Li, Ke; Cao, Shuangyin; Yang, Yue; Zhu, Juntao

2018-01-01

The objective of this paper was to explore the bond–slip relationship between carbon fiber-reinforced polymer (CFRP) sheets and concrete under cyclic loading through experimental and analytical approaches. Modified beam tests were performed in order to gain insight into the bond–slip relationship under static and cyclic loading. The test variables are the CFRP-to-concrete width ratio, and the bond length of the CFRP sheets. An analysis of the test results in this paper and existing test results indicated that the slope of the ascending segment of the bond–slip curve decreased with an increase in the number of load cycles, but the slip corresponding to the maximum shear stress was almost invariable as the number of load cycles increased. In addition, the rate of reduction in the slope of the ascending range of the bond–slip curve during cyclic loading decreased as the concrete strength increased, and increased as the load level or CFRP-to-concrete width ratio enhanced. However, these were not affected by variations in bond length if the residual bond length was longer than the effective bond length. A bilinear bond–slip model for CFRP sheets that are externally bonded to concrete under cyclic loading, which considered the effects of the cyclic load level, concrete strength, and CFRP-to-concrete ratio, was developed based on the existing static bond–slip model. The accuracy of this proposed model was verified by a comparison between this proposed model and test results. PMID:29495383

Bond-Slip Relationship for CFRP Sheets Externally Bonded to Concrete under Cyclic Loading.

PubMed

Li, Ke; Cao, Shuangyin; Yang, Yue; Zhu, Juntao

2018-02-26

The objective of this paper was to explore the bond-slip relationship between carbon fiber-reinforced polymer (CFRP) sheets and concrete under cyclic loading through experimental and analytical approaches. Modified beam tests were performed in order to gain insight into the bond-slip relationship under static and cyclic loading. The test variables are the CFRP-to-concrete width ratio, and the bond length of the CFRP sheets. An analysis of the test results in this paper and existing test results indicated that the slope of the ascending segment of the bond-slip curve decreased with an increase in the number of load cycles, but the slip corresponding to the maximum shear stress was almost invariable as the number of load cycles increased. In addition, the rate of reduction in the slope of the ascending range of the bond-slip curve during cyclic loading decreased as the concrete strength increased, and increased as the load level or CFRP-to-concrete width ratio enhanced. However, these were not affected by variations in bond length if the residual bond length was longer than the effective bond length. A bilinear bond-slip model for CFRP sheets that are externally bonded to concrete under cyclic loading, which considered the effects of the cyclic load level, concrete strength, and CFRP-to-concrete ratio, was developed based on the existing static bond-slip model. The accuracy of this proposed model was verified by a comparison between this proposed model and test results.

Corrosion Prediction with Parallel Finite Element Modeling for Coupled Hygro-Chemo Transport into Concrete under Chloride-Rich Environment

PubMed Central

Na, Okpin; Cai, Xiao-Chuan; Xi, Yunping

2017-01-01

The prediction of the chloride-induced corrosion is very important because of the durable life of concrete structure. To simulate more realistic durability performance of concrete structures, complex scientific methods and more accurate material models are needed. In order to predict the robust results of corrosion initiation time and to describe the thin layer from concrete surface to reinforcement, a large number of fine meshes are also used. The purpose of this study is to suggest more realistic physical model regarding coupled hygro-chemo transport and to implement the model with parallel finite element algorithm. Furthermore, microclimate model with environmental humidity and seasonal temperature is adopted. As a result, the prediction model of chloride diffusion under unsaturated condition was developed with parallel algorithms and was applied to the existing bridge to validate the model with multi-boundary condition. As the number of processors increased, the computational time decreased until the number of processors became optimized. Then, the computational time increased because the communication time between the processors increased. The framework of present model can be extended to simulate the multi-species de-icing salts ingress into non-saturated concrete structures in future work. PMID:28772714

A Nonlocal Peridynamic Plasticity Model for the Dynamic Flow and Fracture of Concrete.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Vogler, Tracy; Lammi, Christopher James

A nonlocal, ordinary peridynamic constitutive model is formulated to numerically simulate the pressure-dependent flow and fracture of heterogeneous, quasi-brittle ma- terials, such as concrete. Classical mechanics and traditional computational modeling methods do not accurately model the distributed fracture observed within this family of materials. The peridynamic horizon, or range of influence, provides a characteristic length to the continuum and limits localization of fracture. Scaling laws are derived to relate the parameters of peridynamic constitutive model to the parameters of the classical Drucker-Prager plasticity model. Thermodynamic analysis of associated and non-associated plastic flow is performed. An implicit integration algorithm is formu-more » lated to calculate the accumulated plastic bond extension and force state. The gov- erning equations are linearized and the simulation of the quasi-static compression of a cylinder is compared to the classical theory. A dissipation-based peridynamic bond failure criteria is implemented to model fracture and the splitting of a concrete cylinder is numerically simulated. Finally, calculation of the impact and spallation of a con- crete structure is performed to assess the suitability of the material and failure models for simulating concrete during dynamic loadings. The peridynamic model is found to accurately simulate the inelastic deformation and fracture behavior of concrete during compression, splitting, and dynamically induced spall. The work expands the types of materials that can be modeled using peridynamics. A multi-scale methodology for simulating concrete to be used in conjunction with the plasticity model is presented. The work was funded by LDRD 158806.« less

Modeling of porous concrete elements under load

NASA Astrophysics Data System (ADS)

Demchyna, B. H.; Famuliak, Yu. Ye.; Demchyna, Kh. B.

2017-12-01

It is known that cell concretes are almost immediately destroyed under load, having reached certain critical stresses. Such kind of destruction is called a "catastrophic failure". Process of crack formation is one of the main factors, influencing process of concrete destruction. Modern theory of crack formation is mainly based on the Griffith theory of destruction. However, the mentioned theory does not completely correspond to the structure of cell concrete with its cell structure, because the theory is intended for a solid body. The article presents one of the possible variants of modelling of the structure of cell concrete and gives some assumptions concerning the process of crack formation in such hollow, not solid environment.

The Use of Artificial Neural Network for Prediction of Dissolution Kinetics

PubMed Central

Elçiçek, H.; Akdoğan, E.; Karagöz, S.

2014-01-01

Colemanite is a preferred boron mineral in industry, such as boric acid production, fabrication of heat resistant glass, and cleaning agents. Dissolution of the mineral is one of the most important processes for these industries. In this study, dissolution of colemanite was examined in water saturated with carbon dioxide solutions. Also, prediction of dissolution rate was determined using artificial neural networks (ANNs) which are based on the multilayered perceptron. Reaction temperature, total pressure, stirring speed, solid/liquid ratio, particle size, and reaction time were selected as input parameters to predict the dissolution rate. Experimental dataset was used to train multilayer perceptron (MLP) networks to allow for prediction of dissolution kinetics. Developing ANNs has provided highly accurate predictions in comparison with an obtained mathematical model used through regression method. We conclude that ANNs may be a preferred alternative approach instead of conventional statistical methods for prediction of boron minerals. PMID:25028674

Bond-slip detection of concrete-encased composite structure using electro-mechanical impedance technique

NASA Astrophysics Data System (ADS)

Liang, Yabin; Li, Dongsheng; Parvasi, Seyed Mohammad; Kong, Qingzhao; Lim, Ing; Song, Gangbing

2016-09-01

Concrete-encased composite structure is a type of structure that takes the advantages of both steel and concrete materials, showing improved strength, ductility, and fire resistance compared to traditional reinforced concrete structures. The interface between concrete and steel profiles governs the interaction between these two materials under loading, however, debonding damage between these two materials may lead to severe degradation of the load transferring capacity which will affect the structural performance significantly. In this paper, the electro-mechanical impedance (EMI) technique using piezoceramic transducers was experimentally investigated to detect the bond-slip occurrence of the concrete-encased composite structure. The root-mean-square deviation is used to quantify the variations of the impedance signatures due to the presence of the bond-slip damage. In order to verify the validity of the proposed method, finite element model analysis was performed to simulate the behavior of concrete-steel debonding based on a 3D finite element concrete-steel bond model. The computed impedance signatures from the numerical results are compared with the results obtained from the experimental study, and both the numerical and experimental studies verify the proposed EMI method to detect bond slip of a concrete-encased composite structure.

Extracting concrete thermal characteristics from temperature time history of RC column exposed to standard fire.

PubMed

Kim, Jung J; Youm, Kwang-Soo; Reda Taha, Mahmoud M

2014-01-01

A numerical method to identify thermal conductivity from time history of one-dimensional temperature variations in thermal unsteady-state is proposed. The numerical method considers the change of specific heat and thermal conductivity with respect to temperature. Fire test of reinforced concrete (RC) columns was conducted using a standard fire to obtain time history of temperature variations in the column section. A thermal equilibrium model in unsteady-state condition was developed. The thermal conductivity of concrete was then determined by optimizing the numerical solution of the model to meet the observed time history of temperature variations. The determined thermal conductivity with respect to temperature was then verified against standard thermal conductivity measurements of concrete bricks. It is concluded that the proposed method can be used to conservatively estimate thermal conductivity of concrete for design purpose. Finally, the thermal radiation properties of concrete for the RC column were estimated from the thermal equilibrium at the surface of the column. The radiant heat transfer ratio of concrete representing absorptivity to emissivity ratio of concrete during fire was evaluated and is suggested as a concrete criterion that can be used in fire safety assessment.

Extracting Concrete Thermal Characteristics from Temperature Time History of RC Column Exposed to Standard Fire

PubMed Central

2014-01-01

A numerical method to identify thermal conductivity from time history of one-dimensional temperature variations in thermal unsteady-state is proposed. The numerical method considers the change of specific heat and thermal conductivity with respect to temperature. Fire test of reinforced concrete (RC) columns was conducted using a standard fire to obtain time history of temperature variations in the column section. A thermal equilibrium model in unsteady-state condition was developed. The thermal conductivity of concrete was then determined by optimizing the numerical solution of the model to meet the observed time history of temperature variations. The determined thermal conductivity with respect to temperature was then verified against standard thermal conductivity measurements of concrete bricks. It is concluded that the proposed method can be used to conservatively estimate thermal conductivity of concrete for design purpose. Finally, the thermal radiation properties of concrete for the RC column were estimated from the thermal equilibrium at the surface of the column. The radiant heat transfer ratio of concrete representing absorptivity to emissivity ratio of concrete during fire was evaluated and is suggested as a concrete criterion that can be used in fire safety assessment. PMID:25180197

Finite element simulation of ultrasonic waves in corroded reinforced concrete for early-stage corrosion detection

NASA Astrophysics Data System (ADS)

Tang, Qixiang; Yu, Tzuyang

2017-04-01

In reinforced concrete (RC) structures, corrosion of steel rebar introduces internal stress at the interface between rebar and concrete, ultimately leading to debonding and separation between rebar and concrete. Effective early-stage detection of steel rebar corrosion can significantly reduce maintenance costs and enable early-stage repair. In this paper, ultrasonic detection of early-stage steel rebar corrosion inside concrete is numerically investigated using the finite element method (FEM). Commercial FEM software (ABAQUS) was used in all simulation cases. Steel rebar was simplified and modeled by a cylindrical structure. 1MHz ultrasonic elastic waves were generated at the interface between rebar and concrete. Two-dimensional plain strain element was adopted in all FE models. Formation of surface rust in rebar was modeled by changing material properties and expanding element size in order to simulate the rust interface between rebar and concrete and the presence of interfacial stress. Two types of surface rust (corroded regions) were considered. Time domain and frequency domain responses of displacement were studied. From our simulation result, two corrosion indicators, baseline (b) and center frequency (fc) were proposed for detecting and quantifying corrosion.

Review of concrete biodeterioration in relation to nuclear waste.

PubMed

Turick, Charles E; Berry, Christopher J

2016-01-01

Storage of radioactive waste in concrete structures is a means of containing wastes and related radionuclides generated from nuclear operations in many countries. Previous efforts related to microbial impacts on concrete structures that are used to contain radioactive waste showed that microbial activity can play a significant role in the process of concrete degradation and ultimately structural deterioration. This literature review examines the research in this field and is focused on specific parameters that are applicable to modeling and prediction of the fate of concrete structures used to store or dispose of radioactive waste. Rates of concrete biodegradation vary with the environmental conditions, illustrating a need to understand the bioavailability of key compounds involved in microbial activity. Specific parameters require pH and osmotic pressure to be within a certain range to allow for microbial growth as well as the availability and abundance of energy sources such as components involved in sulfur, iron and nitrogen oxidation. Carbon flow and availability are also factors to consider in predicting concrete biodegradation. The microbial contribution to degradation of the concrete structures containing radioactive waste is a constant possibility. The rate and degree of concrete biodegradation is dependent on numerous physical, chemical and biological parameters. Parameters to focus on for modeling activities and possible options for mitigation that would minimize concrete biodegradation are discussed and include key conditions that drive microbial activity on concrete surfaces. Copyright © 2015. Published by Elsevier Ltd.

Behavior of radioactive materials and safety stock of contaminated sludge.

PubMed

Tsushima, Ikuo

2017-01-28

The radioactive fallout from the Fukushima Dai-ichi nuclear power plant disaster in 2011 has flowed into and accumulated in many wastewater treatment plants (WWTPs) via sewer systems; this has had a negative impact on WWTPs in eastern Japan. The behavior of radioactive materials was analyzed at four WWTPs in the Tohoku and Kanto regions to elucidate the mechanism by which radioactive materials are concentrated during the sludge treatment process from July 2011 to March 2013. Furthermore, numerical simulations were conducted to study the safe handling of contaminated sewage sludge stocked temporally in WWTPs. Finally, a dissolution test was conducted by using contaminated incinerated ash and melted slag derived from sewage sludge to better understand the disposal of contaminated sewage sludge in landfills. Measurements indicate that a large amount of radioactive material accumulates in aeration tanks and is becoming trapped in the concentrated sludge during the sludge condensation process. The numerical simulation indicates that a worker's exposure around contaminated sludge is less than 1 µSv/h when maintaining an isolation distance of more than 10 m, or when shielding with more than 20-cm-thick concrete. The radioactivity level of the eluate was undetectable in 9 out of 12 samples; in the remaining three samples, the dissolution rates were 0.5-2.7%.

Mineral dissolution and precipitation during CO 2 injection at the Frio-I Brine Pilot: Geochemical modeling and uncertainty analysis

DOE PAGES

Ilgen, A. G.; Cygan, R. T.

2015-12-07

During the Frio-I Brine Pilot CO 2 injection experiment in 2004, distinct geochemical changes in response to the injection of 1600 tons of CO 2 were recorded in samples collected from the monitoring well. Previous geochemical modeling studies have considered dissolution of calcite and iron oxyhydroxides, or release of adsorbed iron, as the most likely sources of the increased ion concentrations. We explore in this modeling study possible alternative sources of the increasing calcium and iron, based on the data from the detailed petrographic characterization of the Upper Frio Formation “C”. Particularly, we evaluate whether dissolution of pyrite andmore » oligoclase (anorthite component) can account for the observed geochemical changes. Due to kinetic limitations, dissolution of pyrite and anorthite cannot account for the increased iron and calcium concentrations on the time scale of the field test (10 days). However, dissolution of these minerals is contributing to carbonate and clay mineral precipitation on the longer time scales (1000 years). The one-dimensional reactive transport model predicts carbonate minerals, dolomite and ankerite, as well as clay minerals kaolinite, nontronite and montmorillonite, will precipitate in the Frio Formation “C” sandstone as the system progresses towards chemical equilibrium during a 1000-year period. Cumulative uncertainties associated with using different thermodynamic databases, activity correction models (Pitzer vs. B-dot), and extrapolating to reservoir temperature, are manifested in the difference in the predicted mineral phases. Furthermore, these models are consistent with regards to the total volume of mineral precipitation and porosity values which are predicted to within 0.002%.« less

Contact Angle Measurements: an Alternative Approach Towards Understanding the Mechanism of Increased Drug Dissolution from Ethylcellulose Tablets Containing Surfactant and Exploring the Relationship Between Their Contact Angles and Dissolution Behaviors.

PubMed

Liu, Tiaotiao; Hao, Jingqiang; Yang, Baixue; Hu, Beibei; Cui, Zhixiang; Li, Sanming

2018-05-01

The addition of surfactant in tablet was a well-defined approach to improve drug dissolution rate. While the selected surfactant played a vital role in improving the wettability of tablet by medium, it was equally important to improve the dissolution rate by permeation effect due to production of pores or the reduced inter-particle adhesion. Furthermore, understanding the mechanism of dissolution rate increased was significant. In this work, contact angle measurement was taken up as an alternative approach for understanding the dissolution rate enhancement for tablet containing surfactant. Ethylcellulose, as a substrate, was used to prepare tablet. Four surfactants, sodium dodecyl sulfate (SDS), sodium dodecylbenzenesulfonate (SDBS), dodecyltrimethylammonium bromide (DTAB), and sodium lauryl sulfonate (SLS), were used. Berberine hydrochloride, metformin hydrochloride, and rutin were selected as model drugs. The contact angle of tablet in the absence and presence of surfactant was measured to explore the mechanism. The dissolution test was investigated to verify the mechanism and to establish a correlation with the contact angle. The result showed that the mechanism was the penetration effect rather than the wetting effect. The dissolution increased with a reduction in the contact angle. DTAB was found to obtain the highest level of dissolution enhancement and the lowest contact angle, while SDS, SDBS, and SLS were found to be the less effective in both dissolution enhancement and contact angle decrease. Therefore, contact angle was a good indicator for dissolution behavior besides exploring the mechanism of increased dissolution, which shows great potential in formula screening.

The Relationship Between the Evolution of an Internal Structure and Drug Dissolution from Controlled-Release Matrix Tablets.

PubMed

Kulinowski, Piotr; Hudy, Wiktor; Mendyk, Aleksander; Juszczyk, Ewelina; Węglarz, Władysław P; Jachowicz, Renata; Dorożyński, Przemysław

2016-06-01

In the last decade, imaging has been introduced as a supplementary method to the dissolution tests, but a direct relationship of dissolution and imaging data has been almost completely overlooked. The purpose of this study was to assess the feasibility of relating magnetic resonance imaging (MRI) and dissolution data to elucidate dissolution profile features (i.e., kinetics, kinetics changes, and variability). Commercial, hydroxypropylmethyl cellulose-based quetiapine fumarate controlled-release matrix tablets were studied using the following two methods: (i) MRI inside the USP4 apparatus with subsequent machine learning-based image segmentation and (ii) dissolution testing with piecewise dissolution modeling. Obtained data were analyzed together using statistical data processing methods, including multiple linear regression. As a result, in this case, zeroth order release was found to be a consequence of internal structure evolution (interplay between region's areas-e.g., linear relationship between interface and core), which eventually resulted in core disappearance. Dry core disappearance had an impact on (i) changes in dissolution kinetics (from zeroth order to nonlinear) and (ii) an increase in variability of drug dissolution results. It can be concluded that it is feasible to parameterize changes in micro/meso morphology of hydrated, controlled release, swellable matrices using MRI to establish a causal relationship between the changes in morphology and drug dissolution. Presented results open new perspectives in practical application of combined MRI/dissolution to controlled-release drug products.

Optimization and influence of parameter affecting the compressive strength of geopolymer concrete containing recycled concrete aggregate: using full factorial design approach

NASA Astrophysics Data System (ADS)

Krishnan, Thulasirajan; Purushothaman, Revathi

2017-07-01

There are several parameters that influence the properties of geopolymer concrete, which contains recycled concrete aggregate as the coarse aggregate. In the present study, the vital parameters affecting the compressive strength of geopolymer concrete containing recycled concrete aggregate are analyzedby varying four parameters with two levels using full factorial design in statistical software Minitab® 17. The objective of the present work is to gain an idea on the optimization, main parameter effects, their interactions and the predicted response of the model generated using factorial design. The parameters such as molarity of sodium hydroxide (8M and 12M), curing time (6hrs and 24 hrs), curing temperature (60°C and 90°C) and percentage of recycled concrete aggregate (0% and 100%) are considered. The results show that the curing time, molarity of sodium hydroxide and curing temperature were the orderly significant parameters and the percentage of Recycled concrete aggregate (RCA) was statistically insignificant in the production of geopolymer concrete. Thus, it may be noticeable that the RCA content had negligible effect on the compressive strength of geopolymer concrete. The expected responses from the generated model showed a satisfactory and rational agreement to the experimental data with the R2 value of 97.70%. Thus, geopolymer concrete comprising recycled concrete aggregate can solve the major social and environmental concerns such as the depletion of the naturally available aggregate sources and disposal of construction and demolition waste into the landfill.

Potential Dependence of Pt and Co Dissolution from Platinum-Cobalt Alloy PEFC Catalysts Using Time-Resolved Measurements

DOE PAGES

Ahluwalia, Rajesh K.; Papadias, Dionissios D.; Kariuki, Nancy N.; ...

2018-02-09

An electrochemical flow cell system with catalyst-ionomer ink deposited on glassy carbon is used to investigate the aqueous stability of commercial PtCo alloys under cyclic potentials. An on-line inductively coupled plasma-mass spectrometer, capable of real-time measurements, is used to resolve the anodic and cathodic dissolution of Pt and Co during square-wave and triangle-wave potential cycles. We observe Co dissolution at all potentials, distinct peaks in anodic and cathodic Pt dissolution rates above 0.9 V, and potential-dependent Pt and Co dissolution rates. The amount of Pt that dissolves cathodically is smaller than the amount that dissolves anodically if the upper potentialmore » limit (UPL) is lower than 0.9 V. At the highest UPL investigated, 1.0 V, the cathodic dissolution greatly exceeds the anodic dissolution. A non-ideal solid solution model indicates that the anodic dissolution can be associated with the electrochemical oxidation of Pt and PtOH to Pt 2+, and the cathodic dissolution to electrochemical reduction of a higher Pt oxide, PtO x (x > 1), to Pt 2+. Pt also dissolves oxidatively during the cathodic scans but in smaller amounts than due to the reductive dissolution of PtO x. The relative amounts Pt dissolving oxidatively as Pt and PtOH depend on the potential cycle and UPL.« less

Dissolution of man-made vitreous fibers in rat alveolar macrophage culture and Gamble's saline solution: influence of different media and chemical composition of the fibers.

PubMed Central

Luoto, K; Holopainen, M; Karppinen, K; Perander, M; Savolainen, K

1994-01-01

The effect of different chemical compositions of man-made vitreous fibers (MMVF) on their dissolution by alveolar macrophages (AM) in culture and in Gamble's solution was studied. The fibers were exposed to cultured rat AMs, culture medium alone; or Gamble's saline solution for 2, 4, or 8 days. The dissolution of the fibers was studied by measuring the amount of silicon (Si), iron (Fe), and aluminum (Al) in each medium. The AMs in culture dissolved Fe and Al from the fibers but the dissolution of Si was more marked in the cell culture medium without cells and in the Gamble's solution. The dissolution of Si, Fe, and Al was different for different fibers, and increased as a function of time. The Fe and Al content of the fibers correlated negatively with the dissolution of Si by AMs from the MMVF, i.e., when the content of Fe and Al of the fibers increased the dissolution of Si decreased. These results suggest that the chemical composition of MMVFs has a marked effect on their dissolution. AMs seem to affect the dissolution of Fe and Al from the fibers. This suggests that in vitro models with cells in the media rather than only culture media or saline solutions would be preferable in dissolution studies of MMVFs. PMID:7882911

Potential Dependence of Pt and Co Dissolution from Platinum-Cobalt Alloy PEFC Catalysts Using Time-Resolved Measurements

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ahluwalia, Rajesh K.; Papadias, Dionissios D.; Kariuki, Nancy N.

An electrochemical flow cell system with catalyst-ionomer ink deposited on glassy carbon is used to investigate the aqueous stability of commercial PtCo alloys under cyclic potentials. An on-line inductively coupled plasma-mass spectrometer, capable of real-time measurements, is used to resolve the anodic and cathodic dissolution of Pt and Co during square-wave and triangle-wave potential cycles. We observe Co dissolution at all potentials, distinct peaks in anodic and cathodic Pt dissolution rates above 0.9 V, and potential-dependent Pt and Co dissolution rates. The amount of Pt that dissolves cathodically is smaller than the amount that dissolves anodically if the upper potentialmore » limit (UPL) is lower than 0.9 V. At the highest UPL investigated, 1.0 V, the cathodic dissolution greatly exceeds the anodic dissolution. A non-ideal solid solution model indicates that the anodic dissolution can be associated with the electrochemical oxidation of Pt and PtOH to Pt 2+, and the cathodic dissolution to electrochemical reduction of a higher Pt oxide, PtO x (x > 1), to Pt 2+. Pt also dissolves oxidatively during the cathodic scans but in smaller amounts than due to the reductive dissolution of PtO x. The relative amounts Pt dissolving oxidatively as Pt and PtOH depend on the potential cycle and UPL.« less

Strain rate effects for spallation of concrete

NASA Astrophysics Data System (ADS)

Häussler-Combe, Ulrich; Panteki, Evmorfia; Kühn, Tino

2015-09-01

Appropriate triaxial constitutive laws are the key for a realistic simulation of high speed dynamics of concrete. The strain rate effect is still an open issue within this context. In particular the question whether it is a material property - which can be covered by rate dependent stress strain relations - or mainly an effect of inertia is still under discussion. Experimental and theoretical investigations of spallation of concrete specimen in a Hopkinson Bar setup may bring some evidence into this question. For this purpose the paper describes the VERD model, a newly developed constitutive law for concrete based on a damage approach with included strain rate effects [1]. In contrast to other approaches the dynamic strength increase is not directly coupled to strain rate values but related to physical mechanisms like the retarded movement of water in capillary systems and delayed microcracking. The constitutive law is fully triaxial and implemented into explicit finite element codes for the investigation of a wide range of concrete structures exposed to impact and explosions. The current setup models spallation experiments with concrete specimen [2]. The results of such experiments are mainly related to the dynamic tensile strength and the crack energy of concrete which may be derived from, e.g., the velocity of spalled concrete fragments. The experimental results are compared to the VERD model and two further constitutive laws implemented in LS-Dyna. The results indicate that both viscosity and retarded damage are required for a realistic description of the material behaviour of concrete exposed to high strain effects [3].

Effect of ingested lipids on drug dissolution and release with concurrent digestion: a modeling approach

PubMed Central

Buyukozturk, Fulden; Di Maio, Selena; Budil, David E.; Carrier, Rebecca L.

2014-01-01

Purpose To mechanistically study and model the effect of lipids, either from food or self-emulsifying drug delivery systems (SEDDS), on drug transport in the intestinal lumen. Methods Simultaneous lipid digestion, dissolution/release, and drug partitioning were experimentally studied and modeled for two dosing scenarios: solid drug with a food-associated lipid (soybean oil) and drug solubilized in a model SEDDS (soybean oil and Tween 80 at 1:1 ratio). Rate constants for digestion, permeability of emulsion droplets, and partition coefficients in micellar and oil phases were measured, and used to numerically solve the developed model. Results Strong influence of lipid digestion on drug release from SEDDS and solid drug dissolution into food-associated lipid emulsion were observed and predicted by the developed model. 90 minutes after introduction of SEDDS, there was 9% and 70% drug release in the absence and presence of digestion, respectively. However, overall drug dissolution in the presence of food-associated lipids occurred over a longer period than without digestion. Conclusion A systems-based mechanistic model incorporating simultaneous dynamic processes occurring upon dosing of drug with lipids enabled prediction of aqueous drug concentration profile. This model, once incorporated with a pharmacokinetic model considering processes of drug absorption and drug lymphatic transport in the presence of lipids, could be highly useful for quantitative prediction of impact of lipids on bioavailability of drugs. PMID:24234918

Scaling and saturation laws for the expansion of concrete exposed to sulfate attack.

PubMed

Monteiro, Paulo J M

2006-08-01

Reinforced concrete structures exposed to aggressive environments often require repair or retrofit even though they were designed to last >50 years. This statement is especially true for structures subjected to sulfate attack. It is critical that fundamental models of life prediction be developed for durability of concrete. Based on experimental results obtained over a 40-year period, scaling and saturation laws were formulated for concrete exposed to sulfate solution. These features have not been considered in current models used to predict life cycle of concrete exposed to aggressive environment. The mathematical analysis shows that porous concrete made with high and moderate water-to-cement ratios develops a definite scaling law after an initiation time. The scaling coefficient depends on the cement composition but does not depend on the original water-to-cement ratio. Dense concrete made with low water-to-cement ratios develops a cyclic saturation curve. An index for "potential of damage" is created to allow engineers to design concrete structures with better precision and cement chemists to develop portland cements with optimized composition.

Dissolution Failure of Solid Oral Drug Products in Field Alert Reports.

PubMed

Sun, Dajun; Hu, Meng; Browning, Mark; Friedman, Rick L; Jiang, Wenlei; Zhao, Liang; Wen, Hong

2017-05-01

From 2005 to 2014, 370 data entries of dissolution failures of solid oral drug products were assessed with respect to the solubility of drug substances, dosage forms [immediate release (IR) vs. modified release (MR)], and manufacturers (brand name vs. generic). The study results show that the solubility of drug substances does not play a significant role in dissolution failures; however, MR drug products fail dissolution tests more frequently than IR drug products. When multiple variables were analyzed simultaneously, poorly water-soluble IR drug products failed the most dissolution tests, followed by poorly soluble MR drug products and very soluble MR drug products. Interestingly, the generic drug products fail dissolution tests at an earlier time point during a stability study than the brand name drug products. Whether the dissolution failure of these solid oral drug products has any in vivo implication will require further pharmacokinetic, pharmacodynamic, clinical, and drug safety evaluation. Food and Drug Administration is currently conducting risk-based assessment using in-house dissolution testing, physiologically based pharmacokinetic modeling and simulation, and post-market surveillance tools. At the meantime, this interim report will outline a general scheme of monitoring dissolution failures of solid oral dosage forms as a pharmaceutical quality indicator. Published by Elsevier Inc.

Uniaxial Compressive Constitutive Relationship of Concrete Confined by Special-Shaped Steel Tube Coupled with Multiple Cavities

PubMed Central

Wu, Haipeng; Cao, Wanlin; Qiao, Qiyun; Dong, Hongying

2016-01-01

A method is presented to predict the complete stress-strain curves of concrete subjected to triaxial stresses, which were caused by axial load and lateral force. The stress can be induced due to the confinement action inside a special-shaped steel tube having multiple cavities. The existing reinforced confined concrete formulas have been improved to determine the confinement action. The influence of cross-sectional shape, of cavity construction, of stiffening ribs and of reinforcement in cavities has been considered in the model. The parameters of the model are determined on the basis of experimental results of an axial compression test for two different kinds of special-shaped concrete filled steel tube (CFT) columns with multiple cavities. The complete load-strain curves of the special-shaped CFT columns are estimated. The predicted concrete strength and the post-peak behavior are found to show good agreement within the accepted limits, compared with the experimental results. In addition, the parameters of proposed model are taken from two kinds of totally different CFT columns, so that it can be concluded that this model is also applicable to concrete confined by other special-shaped steel tubes. PMID:28787886

Numerical Analysis of Prefabricated Steel-Concrete Composite Floor in Typical Lipsk Building

NASA Astrophysics Data System (ADS)

Lacki, Piotr; Kasza, Przemysław; Derlatka, Anna

2017-12-01

The aim of the work was to perform numerical analysis of a steel-concrete composite floor located in a LIPSK type building. A numerical model of the analytically designed floor was performed. The floor was in a six-storey, retail and service building. The thickness of a prefabricated slab was 100 mm. The two-row, crisscrossed reinforcement of the slab was made from φ16 mm rods with a spacing of 150 x 200 mm. The span of the beams made of steel IPE 160 profiles was 6.00 m and they were spaced every 1.20 m. The steelconcrete composite was obtained using 80×16 Nelson fasteners. The numerical analysis was carried out using the ADINA System based on the Finite Element Method. The stresses and strains in the steel and concrete elements, the distribution of the forces in the reinforcement bars and cracking in concrete were evaluated. The FEM model was made from 3D-solid finite elements (IPE profile and concrete slab) and truss elements (reinforcement bars). The adopted steel material model takes into consideration the plastic state, while the adopted concrete material model takes into account material cracks.

Uniaxial Compressive Constitutive Relationship of Concrete Confined by Special-Shaped Steel Tube Coupled with Multiple Cavities.

PubMed

Wu, Haipeng; Cao, Wanlin; Qiao, Qiyun; Dong, Hongying

2016-01-29

A method is presented to predict the complete stress-strain curves of concrete subjected to triaxial stresses, which were caused by axial load and lateral force. The stress can be induced due to the confinement action inside a special-shaped steel tube having multiple cavities. The existing reinforced confined concrete formulas have been improved to determine the confinement action. The influence of cross-sectional shape, of cavity construction, of stiffening ribs and of reinforcement in cavities has been considered in the model. The parameters of the model are determined on the basis of experimental results of an axial compression test for two different kinds of special-shaped concrete filled steel tube (CFT) columns with multiple cavities. The complete load-strain curves of the special-shaped CFT columns are estimated. The predicted concrete strength and the post-peak behavior are found to show good agreement within the accepted limits, compared with the experimental results. In addition, the parameters of proposed model are taken from two kinds of totally different CFT columns, so that it can be concluded that this model is also applicable to concrete confined by other special-shaped steel tubes.

Kinetics of carbonate mineral dissolution in CO2-acidified brines at storage reservoir conditions.

PubMed

Peng, Cheng; Anabaraonye, Benaiah U; Crawshaw, John P; Maitland, Geoffrey C; Trusler, J P Martin

2016-10-20

We report experimental measurements of the dissolution rate of several carbonate minerals in CO 2 -saturated water or brine at temperatures between 323 K and 373 K and at pressures up to 15 MPa. The dissolution kinetics of pure calcite were studied in CO 2 -saturated NaCl brines with molalities of up to 5 mol kg -1 . The results of these experiments were found to depend only weakly on the brine molality and to conform reasonably well with a kinetic model involving two parallel first-order reactions: one involving reactions with protons and the other involving reaction with carbonic acid. The dissolution rates of dolomite and magnesite were studied in both aqueous HCl solution and in CO 2 -saturated water. For these minerals, the dissolution rates could be explained by a simpler kinetic model involving only direct reaction between protons and the mineral surface. Finally, the rates of dissolution of two carbonate-reservoir analogue minerals (Ketton limestone and North-Sea chalk) in CO 2 -saturated water were found to follow the same kinetics as found for pure calcite. Vertical scanning interferometry was used to study the surface morphology of unreacted and reacted samples. The results of the present study may find application in reactive-flow simulations of CO 2 -injection into carbonate-mineral saline aquifers.

Modeling Remineralization of Desalinated Water by Micronized Calcite Dissolution.

PubMed

Hasson, David; Fine, Larissa; Sagiv, Abraham; Semiat, Raphael; Shemer, Hilla

2017-11-07

A widely used process for remineralization of desalinated water consists of dissolution of calcite particles by flow of acidified desalinated water through a bed packed with millimeter-size calcite particles. An alternative process consists of calcite dissolution by slurry flow of micron-size calcite particles with acidified desalinated water. The objective of this investigation is to provide theoretical models enabling design of remineralization by calcite slurry dissolution with carbonic and sulfuric acids. Extensive experimental results are presented displaying the effects of acid concentration, slurry feed concentration, and dissolution contact time. The experimental data are shown to be in agreement within less than 10% with theoretical predictions based on the simplifying assumption that the slurry consists of uniform particles represented by the surface mean diameter of the powder. Agreement between theory and experiment is improved by 1-8% by taking into account the powder size distribution. Apart from the practical value of this work in providing a hitherto lacking design tool for a novel technology. The paper has the merit of being among the very few publications providing experimental confirmation to the theory describing reaction kinetics in a segregated flow system.

A case study on the in silico absorption simulations of levothyroxine sodium immediate-release tablets.

PubMed

Kocic, Ivana; Homsek, Irena; Dacevic, Mirjana; Grbic, Sandra; Parojcic, Jelena; Vucicevic, Katarina; Prostran, Milica; Miljkovic, Branislava

2012-04-01

The aim of this case study was to develop a drug-specific absorption model for levothyroxine (LT4) using mechanistic gastrointestinal simulation technology (GIST) implemented in the GastroPlus™ software package. The required input parameters were determined experimentally, in silico predicted and/or taken from the literature. The simulated plasma profile was similar and in a good agreement with the data observed in the in vivo bioequivalence study, indicating that the GIST model gave an accurate prediction of LT4 oral absorption. Additionally, plasma concentration-time profiles were simulated based on a set of experimental and virtual in vitro dissolution data in order to estimate the influence of different in vitro drug dissolution kinetics on the simulated plasma profiles and to identify biorelevant dissolution specification for LT4 immediate-release (IR) tablets. A set of experimental and virtual in vitro data was also used for correlation purposes. In vitro-in vivo correlation model based on the convolution approach was applied in order to assess the relationship between the in vitro and in vivo data. The obtained results suggest that dissolution specification of more than 85% LT4 dissolved in 60 min might be considered as biorelevant dissolution specification criteria for LT4 IR tablets. Copyright © 2012 John Wiley & Sons, Ltd.

Microbially enhanced dissolution and reductive dechlorination of PCE by a mixed culture: Model validation and sensitivity analysis

NASA Astrophysics Data System (ADS)

Chen, Mingjie; Abriola, Linda M.; Amos, Benjamin K.; Suchomel, Eric J.; Pennell, Kurt D.; Löffler, Frank E.; Christ, John A.

2013-08-01

Reductive dechlorination catalyzed by organohalide-respiring bacteria is often considered for remediation of non-aqueous phase liquid (NAPL) source zones due to cost savings, ease of implementation, regulatory acceptance, and sustainability. Despite knowledge of the key dechlorinators, an understanding of the processes and factors that control NAPL dissolution rates and detoxification (i.e., ethene formation) is lacking. A recent column study demonstrated a 5-fold cumulative enhancement in tetrachloroethene (PCE) dissolution and ethene formation (Amos et al., 2009). Spatial and temporal monitoring of key geochemical and microbial (i.e., Geobacter lovleyi and Dehalococcoides mccartyi strains) parameters in the column generated a data set used herein as the basis for refinement and testing of a multiphase, compositional transport model. The refined model is capable of simulating the reactive transport of multiple chemical constituents produced and consumed by organohalide-respiring bacteria and accounts for substrate limitations and competitive inhibition. Parameter estimation techniques were used to optimize the values of sensitive microbial kinetic parameters, including maximum utilization rates, biomass yield coefficients, and endogenous decay rates. Comparison and calibration of model simulations with the experimental data demonstrate that the model is able to accurately reproduce measured effluent concentrations, while delineating trends in dechlorinator growth and reductive dechlorination kinetics along the column. Sensitivity analyses performed on the optimized model parameters indicate that the rates of PCE and cis-1,2-dichloroethene (cis-DCE) transformation and Dehalococcoides growth govern bioenhanced dissolution, as long as electron donor (i.e., hydrogen flux) is not limiting. Dissolution enhancements were shown to be independent of cis-DCE accumulation; however, accumulation of cis-DCE, as well as column length and flow rate (i.e., column residence time), strongly influenced the extent of reductive dechlorination. When cis-DCE inhibition was neglected, the model over-predicted ethene production ten-fold, while reductions in residence time (i.e., a two-fold decrease in column length or two-fold increase in flow rate) resulted in a more than 70% decline in ethene production. These results suggest that spatial and temporal variations in microbial community composition and activity must be understood to model, predict, and manage bioenhanced NAPL dissolution.

A Novel Approach to Experimental Studies of Mineral Dissolution Kinetics

DOE Office of Scientific and Technical Information (OSTI.GOV)

Chen Zhu

2006-08-31

Currently, DOE is conducting pilot CO{sub 2} injection tests to evaluate the concept of geological sequestration. One strategy that potentially enhances CO{sub 2} solubility and reduces the risk of CO{sub 2} leak back to the surface is dissolution of indigenous minerals in the geological formation and precipitation of secondary carbonate phases, which increases the brine pH and immobilizes CO{sub 2}. Clearly, the rates at which these dissolution and precipitation reactions occur directly determine the efficiency of this strategy. However, one of the fundamental problems in modern geochemistry is the persistent two to five orders of magnitude discrepancy between laboratory measuredmore » and field derived feldspar dissolution rates. To date, there is no real guidance as to how to predict silicate reaction rates for use in quantitative models. Current models for assessment of geological carbon sequestration have generally opted to use laboratory rates, in spite of the dearth of such data for compositionally complex systems, and the persistent disconnect between laboratory and field applications. Therefore, a firm scientific basis for predicting silicate reaction kinetics in CO2 injected geological formations is urgently needed to assure the reliability of the geochemical models used for the assessments of carbon sequestration strategies. The funded experimental and theoretical study attempts to resolve this outstanding scientific issue by novel experimental design and theoretical interpretation to measure silicate dissolution rates and iron carbonate precipitation rates at conditions pertinent to geological carbon sequestration. In the second year of the project, we completed CO{sub 2}-Navajo sandstone interaction batch and flow-through experiments and a Navajo sandstone dissolution experiment without the presence of CO{sub 2} at 200 C and 250-300 bars, and initiated dawsonite dissolution and solubility experiments. We also performed additional 5-day experiments at the same conditions as alkali-feldspar dissolution experiments with and without the presence of CO{sub 2} performed in the first year to check the validation of the experiments and analysis. The changes of solution chemistry as dissolution experiments progressed were monitored with on-line sampling of the aqueous phase at the constant temperature and pressure. These data allow calculating overall apparent mineral (feldspars and sandstones) dissolution rates and secondary mineral precipitation rates as a function of saturation states. State-of-the-art atomic resolution transmission electron microscopy (TEM), scanning electron microscopy (SEM), and electron microprobe was used to characterize the products and reactants. Reaction-path geochemical modeling was used to interpret the experimental results of alkali-feldspar dissolution experiments without the presence of CO{sub 2}. Two manuscripts are near completion. Also during the second year, our education goal of graduate student training has been advanced. A Ph. D. student at Indiana University is progressing well in the degree program and has taken geochemical modeling, SEM, and TEM courses, which will facilitate research in the third year. A Ph. D. student at University of Minnesota had graduated. With the success of training of graduate students and excellent experimental data in the second year, we anticipate a more fruitful year in the third year.« less

Modelling of concrete topping thickness effects on the vibration behaviour for lvl-concrete composite floor (LCC)

NASA Astrophysics Data System (ADS)

Ghafar, NH Abd; Sahban, N. M.

2017-11-01

This research was conducted on 2 m LVL - concrete composite (LCC) floor consisting of two parts between concrete floor and laminated veneer lumber (LVL) timber joist. The floor system was model using SAP 2000 software package. The aim of this research to study the vibration behaviour of the LCC floor with different concrete topping thickness which 25 mm, 65 mm and from 20 mm until 200 mm in every 20 mm interval. Natural frequency decision produced through SAP 2000 in thickness 25 mm and 65 mm is 57.45 Hz and 57.19 Hz. In thickness from 20 mm until 200 mm in every 20 mm interval, optimum value which found is during thickness reach 65 mm. For concrete topping below 65 mm thickness, the mass will be domain the behavior of the floor. When concrete topping increased more than 65 mm, the behavior of the floor will be domain by floor stiffness.

The effects of pressure dependent constitutive model to simulate concrete structures failure under impact loads

NASA Astrophysics Data System (ADS)

Mokhatar, S. N.; Sonoda, Y.; Kamarudin, A. F.; Noh, M. S. Md; Tokumaru, S.

2018-04-01

The main objective of this paper is to explore the effect of confining pressure in the compression and tension zone by simulating the behaviour of reinforced concrete/mortar structures subjected to the impact load. The analysis comprises the numerical simulation of the influences of high mass low speed impact weight dropping on concrete structures, where the analyses are incorporated with meshless method namely as Smoothed Particle Hydrodynamics (SPH) method. The derivation of the plastic stiffness matrix of Drucker-Prager (DP) that extended from Von-Mises (VM) yield criteria to simulate the concrete behaviour were presented in this paper. In which, the displacements for concrete/mortar structures are assumed to be infinitesimal. Furthermore, the influence of the different material model of DP and VM that used numerically for concrete and mortar structures are also discussed. Validation upon existing experimental test results is carried out to investigate the effect of confining pressure, it is found that VM criterion causes unreal impact failure (flexural cracking) of concrete structures.

Collaborative Discourse and the Modeling of Solution Chemistry with Magnetic 3D Physical Models--Impact and Characterization

ERIC Educational Resources Information Center

Warfa, Abdi-Rizak M.; Roehrig, Gillian H.; Schneider, Jamie L.; Nyachwaya, James

2014-01-01

A significant body of the literature in science education examines students' conceptions of the dissolution of ionic solids in water, often showing that students lack proper understanding of the particulate nature of dissolving materials as well as holding numerous misconceptions about the dissolution process. Consequently, chemical educators have…

A Constructivist-Based Model for the Teaching of Dissolution of Gas in a Liquid

ERIC Educational Resources Information Center

Calik, Muammer; Ayas, Alipasa; Coll, Richard K.

2006-01-01

In this article we present details of a four-step constructivist-based teaching strategy, which helps students understand the dissolution of a gas in a liquid. The model derived from Ayas (1995) involves elicitation of pre-existing ideas, focusing on the target concept, challenging students' ideas, and applying newly constructed ideas to similar…

Multiscale Computational Modeling of the Nanostructure of Solid Dispersions of Hydroxypropyl Methylcellulose Acetate Succinate (HPMCAS) and Phenytoin.

PubMed

Huang, Wenjun; Mandal, Taraknath; Larson, Ronald G

2017-10-02

We recently developed coarse-grained (CG) force fields for hydroxypropyl methylcellulose acetate succinate (HPMCAS) polymers and the model drug molecule phenytoin, and a continuum transport model to study the polymer-drug nanostructures presented during a dissolution test after solvation of solid dispersion particles. We model the polymer-drug interactions that contribute to suppression of drug aggregation, release, and crystal growth during the dissolution process, and we take these as indicators of polymer effectiveness. We find that the size and the intermolecular interaction strength of the functional group and the drug loading concentration are the major factors that impact the effectiveness of the polymeric excipient. The hydroxypropyl acetyl group is the most effective functional group, followed by the acetyl group, while the deprotonated succinyl group is the least effective functional group, except that the deprotonated succinyl group at the 6-position is very effective in slowing down the phenytoin crystal growth. Our simulation results thus suggest HPMCAS with higher acetyl and lower succinyl content is more effective in promoting phenytoin solubility in dissolution media, and polymers become less effective when drug loading becomes high (i.e., 50% of the mass of the polymer/drug solid dispersion), agreeing with previous experimental studies. In addition, our transport model indicates that the drug release time from a solid dispersion particle of 2 μm diameter is less than 10 min, correlating well with the experimental time scale for a typical dissolution profile to reach maximum peak concentration. Our modeling effort, therefore, provides new avenues to understand the dissolution behavior of complex HPMCAS-phenytoin solid dispersions and offers a new design tool to optimize the formulation. Moreover, the systematic and robust approach used in our computational models can be extended to other polymeric excipients and drug candidates.

Finite Element Bond Modeling for Indented Wires in Pretensioned Concrete Crossties

DOT National Transportation Integrated Search

2016-04-12

Indented wires have been increasingly employed by : concrete crosstie manufacturers to improve the bond between : prestressing steel reinforcements and concrete, as bond can : affect several critical performance measures, including transfer : length,...

Modeling reinforced concrete durability : [summary].

DOT National Transportation Integrated Search

2014-06-01

Many Florida bridges are built of steel-reinforced concrete. Floridas humid and marine : environments subject steel in these structures : to corrosion once water and salt penetrate the : concrete and contact the steel. Corroded steel : takes up mo...

Health behaviors and union dissolution among parents of young children: Differences by marital status

PubMed Central

Meyer, Jess M.

2017-01-01

Previous research finds that marriage is associated with better health and lower mortality, and one of the mechanisms underlying this association is health-related selection out of marriage. Using longitudinal survey data from 2,348 couples from the Fragile Families and Child Wellbeing Study, we examine whether certain health behaviors—smoking and binge drinking—are associated with risk of union dissolution among couples with young children. We use discrete time hazard models to test whether associations between health behaviors and union dissolution differ between married and cohabiting parents. We find no statistically significant association between binge drinking and union dissolution for either cohabiting or married couples. Parental smoking, however, is associated with union dissolution. On average, married and cohabiting couples in which both parents smoke have a higher risk of union dissolution than couples in which neither parent smokes. Additionally, father’s smoking (in couples in which the mother does not smoke) is associated with union dissolution, but only for married couples. These findings illustrate the importance of considering the health behaviors of both partners and provide further evidence of differences in union dissolution dynamics between married and cohabiting couples. PMID:28796826

Dissolution patterns of biocompatible glasses in 2-amino-2-hydroxymethyl-propane-1,3-diol (Tris) buffer.

PubMed

Fagerlund, S; Hupa, L; Hupa, M

2013-02-01

A continuous flow measurement system with sensitive on-line ion analysis has been applied to study the initial dissolution behaviour of biocompatible glasses in Tris. Altogether 16 glasses with widely varying compositions were studied. The measurement system allowed for quantitative determination of the time-dependent rates of dissolution of sodium, potassium, calcium, magnesium, silicon and phosphorus during the first 10-15 min in contact with Tris solution. The dissolution rates of the different ions showed significant glass to glass variations, but all glasses studied showed one of four distinct dissolution patterns. The ion dissolution rates after an exposure of 1000 s, expressed as the normalized surface-specific mass loss rates, were compared with the in vitro and in vivo reactivity of the glasses as predicted by models in the literature. The results showed a clear correlation between the dissolution rates of the glasses in Tris and their reactivity as measured by other different methods. Consequently, the measured short-term dissolution patterns could be used to determine which glasses are suitable as bioactive, biodegradable, or inert biomaterials for medical devices. Copyright © 2012 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

Health behaviors and union dissolution among parents of young children: Differences by marital status.

PubMed

Meyer, Jess M; Percheski, Christine

2017-01-01

Previous research finds that marriage is associated with better health and lower mortality, and one of the mechanisms underlying this association is health-related selection out of marriage. Using longitudinal survey data from 2,348 couples from the Fragile Families and Child Wellbeing Study, we examine whether certain health behaviors-smoking and binge drinking-are associated with risk of union dissolution among couples with young children. We use discrete time hazard models to test whether associations between health behaviors and union dissolution differ between married and cohabiting parents. We find no statistically significant association between binge drinking and union dissolution for either cohabiting or married couples. Parental smoking, however, is associated with union dissolution. On average, married and cohabiting couples in which both parents smoke have a higher risk of union dissolution than couples in which neither parent smokes. Additionally, father's smoking (in couples in which the mother does not smoke) is associated with union dissolution, but only for married couples. These findings illustrate the importance of considering the health behaviors of both partners and provide further evidence of differences in union dissolution dynamics between married and cohabiting couples.

Importance of dowels in transversal joints in concrete pavements

NASA Astrophysics Data System (ADS)

Grosek, Jiri; Chupik, Vladimir; Stryk, Josef; Brezina, Ilja

2017-09-01

Concrete pavements are designed for heavy loaded road structures. Their usage brings a number of specific issues. It is necessary to solve them all to ensure that concrete pavements will fulfil their function along the whole design period. One of these issues concerns dowels, which are located in transversal joints. Modelling of load, caused by heavy vehicles, with the use of the finite element method, provides valuable information about the stress condition of concrete pavement. The results of modelling can be verified by measurements or experiments in practice. Dowels and tie bars in jointed unreinforced concrete pavements and the importance of their correct placement, dimensions and material quality on pavement behaviour and lifespan were studied as a part of R&D projects of Technology Agency of the Czech Republic Nos. TA02031195 and TE01020168. The paper presents the experience from the modelling and performed experiments and makes conclusions which are important for the use in practice.

AN OPTIMAL MAINTENANCE MANAGEMENT MODEL FOR AIRPORT CONCRETE PAVEMENT

NASA Astrophysics Data System (ADS)

Shimomura, Taizo; Fujimori, Yuji; Kaito, Kiyoyuki; Obama, Kengo; Kobayashi, Kiyoshi

In this paper, an optimal management model is formulated for the performance-based rehabilitation/maintenance contract for airport concrete pavement, whereby two types of life cycle cost risks, i.e., ground consolidation risk and concrete depreciation risk, are explicitly considered. The non-homogenous Markov chain model is formulated to represent the deterioration processes of concrete pavement which are conditional upon the ground consolidation processes. The optimal non-homogenous Markov decision model with multiple types of risk is presented to design the optimal rehabilitation/maintenance plans. And the methodology to revise the optimal rehabilitation/maintenance plans based upon the monitoring data by the Bayesian up-to-dating rules. The validity of the methodology presented in this paper is examined based upon the case studies carried out for the H airport.

GEANT4 benchmark with MCNPX and PHITS for activation of concrete

NASA Astrophysics Data System (ADS)

Tesse, Robin; Stichelbaut, Frédéric; Pauly, Nicolas; Dubus, Alain; Derrien, Jonathan

2018-02-01

The activation of concrete is a real problem from the point of view of waste management. Because of the complexity of the issue, Monte Carlo (MC) codes have become an essential tool to its study. But various codes or even nuclear models exist in MC. MCNPX and PHITS have already been validated for shielding studies but GEANT4 is also a suitable solution. In these codes, different models can be considered for a concrete activation study. The Bertini model is not the best model for spallation while BIC and INCL model agrees well with previous results in literature.

Study of Interaction of Reinforcement with Concrete by Numerical Methods

NASA Astrophysics Data System (ADS)

Tikhomirov, V. M.; Samoshkin, A. S.

2018-01-01

This paper describes the study of deformation of reinforced concrete. A mathematical model for the interaction of reinforcement with concrete, based on the introduction of a contact layer, whose mechanical characteristics are determined from the experimental data, is developed. The limiting state of concrete is described using the Drucker-Prager theory and the fracture criterion with respect to maximum plastic deformations. A series of problems of the theory of reinforced concrete are solved: stretching of concrete from a central-reinforced prism and pre-stressing of concrete. It is shown that the results of the calculations are in good agreement with the experimental data.

Modelling of Asphalt Concrete Stiffness in the Linear Viscoelastic Region

NASA Astrophysics Data System (ADS)

Mazurek, Grzegorz; Iwański, Marek

2017-10-01

Stiffness modulus is a fundamental parameter used in the modelling of the viscoelastic behaviour of bituminous mixtures. On the basis of the master curve in the linear viscoelasticity range, the mechanical properties of asphalt concrete at different loading times and temperatures can be predicted. This paper discusses the construction of master curves under rheological mathematical models i.e. the sigmoidal function model (MEPDG), the fractional model, and Bahia and co-workers’ model in comparison to the results from mechanistic rheological models i.e. the generalized Huet-Sayegh model, the generalized Maxwell model and the Burgers model. For the purposes of this analysis, the reference asphalt concrete mix (denoted as AC16W) intended for the binder coarse layer and for traffic category KR3 (5×105

The micromechanics model analysis of the viscosity regulation of ultra-high strength concrete with low viscosity

NASA Astrophysics Data System (ADS)

Zhu, M.; Wang, F. G.; Wang, F. Z.; Liu, Y. P.

2017-02-01

The plastic viscosity of mortar and concrete with different binder content, sand ratio, water-binder ratio, microbead dosage and different class and dosage of fly ash were tested and calculated according tomicromechanics model proposed by A. Ghanbari and B.L. Karihaloo, The correlations between these parameters and fresh concrete workability were also investigated, which showed i. high consistence with the objective reality. When binder content, microbead dosage, fly ash dosage or the water-binder ratio was increased or sand ratio was reduced, the fresh concrete viscosity would decrease correspondingly. However their effects were not that same. The relationships between T50 a, V-funnel and inverted slump time with fresh concrete viscosity were established, respectively.

Quantification of the resist dissolution process: an in situ analysis using high speed atomic force microscopy

NASA Astrophysics Data System (ADS)

Santillan, Julius Joseph; Shichiri, Motoharu; Itani, Toshiro

2016-03-01

This work focuses on the application of a high speed atomic force microscope (HS-AFM) for the in situ visualization / quantification of the resist dissolution process. This technique, as reported in the past, has provided useful pointers on the formation of resist patterns during dissolution. This paper discusses about an investigation made on the quantification of what we refer to as "dissolution unit size" or the basic units of patterning material dissolution. This was done through the establishment of an originally developed analysis method which extracts the difference between two succeeding temporal states of the material film surface (images) to indicate the amount of change occurring in the material film at a specific span of time. Preliminary experiments with actual patterning materials were done using a positive-tone EUV model resist composed only of polyhydroxystyrene (PHS)-based polymer with a molecular weight of 2,500 and a polydispersity index of 1.2. In the absence of a protecting group, the material was utilized at a 50nm film thickness with post application bake of 90°C/60s. The resulting film is soluble in the alkali-based developer even without exposure. Results have shown that the dissolution components (dissolution unit size) of the PHS-based material are not of fixed size. Instead, it was found that aside from one constantly dissolving unit size, another, much larger dissolution unit size trend also occurs during material dissolution. The presence of this larger dissolution unit size suggests an occurrence of "polymer clustering". Such polymer clustering was not significantly present during the initial stages of dissolution (near the original film surface) but becomes more persistently obvious after the dissolution process reaches a certain film thickness below the initial surface.

Modeling reinforced concrete durability.

DOT National Transportation Integrated Search

2014-06-01

This project developed a next-generation modeling approach for projecting the extent of : reinforced concrete corrosion-related damage, customized for new and existing Florida Department of : Transportation bridges and suitable for adapting to broade...

Experimental Study of Damage Evolution in Circular Stirrup-Confined Concrete

PubMed Central

Li, Zuohua; Peng, Zhihan; Teng, Jun; Wang, Ying

2016-01-01

This paper presents an experimental study on circular stirrup-confined concrete specimens under uniaxial and monotonic load. The effects of stirrup volume ratio, stirrup yield strength and concrete strength on damage evolution of stirrup-confined concrete were investigated. The experimental results showed that the strength and ductility of concrete are improved by appropriate arrangement of the stirrup confinement. Firstly, the concrete damage evolution can be relatively restrained with the increase of the stirrup volume ratio. Secondly, higher stirrup yield strength usually causes larger confining pressures and slower concrete damage evolution. In contrast, higher concrete strength leads to higher brittleness, which accelerates the concrete damage evolution. A plastic strain expression is obtained through curve fitting, and a damage evolution equation for circular stirrup-confined concrete is proposed by introducing a confinement factor (C) based on the experimental data. The comparison results demonstrate that the proposed damage evolution model can accurately describe the experimental results. PMID:28773402

Experimental Study of Damage Evolution in Circular Stirrup-Confined Concrete.

PubMed

Li, Zuohua; Peng, Zhihan; Teng, Jun; Wang, Ying

2016-04-08

This paper presents an experimental study on circular stirrup-confined concrete specimens under uniaxial and monotonic load. The effects of stirrup volume ratio, stirrup yield strength and concrete strength on damage evolution of stirrup-confined concrete were investigated. The experimental results showed that the strength and ductility of concrete are improved by appropriate arrangement of the stirrup confinement. Firstly, the concrete damage evolution can be relatively restrained with the increase of the stirrup volume ratio. Secondly, higher stirrup yield strength usually causes larger confining pressures and slower concrete damage evolution. In contrast, higher concrete strength leads to higher brittleness, which accelerates the concrete damage evolution. A plastic strain expression is obtained through curve fitting, and a damage evolution equation for circular stirrup-confined concrete is proposed by introducing a confinement factor ( C ) based on the experimental data. The comparison results demonstrate that the proposed damage evolution model can accurately describe the experimental results.

The concreteness effect: evidence for dual coding and context availability.

PubMed

Jessen, F; Heun, R; Erb, M; Granath, D O; Klose, U; Papassotiropoulos, A; Grodd, W

2000-08-01

The term concreteness effect refers to the observation that concrete nouns are processed faster and more accurately than abstract nouns in a variety of cognitive tasks. Two models have been proposed to explain the neuronal basis of the concreteness effect. The dual-coding theory attributes the advantage to the access of a right hemisphere image based system in addition to a verbal system by concrete words. The context availability theory argues that concrete words activate a broader contextual verbal support, which results in faster processing, but do not access a distinct image based system. We used event-related fMRI to detect the brain regions that subserve to the concreteness effect. We found greater activation in the lower right and left parietal lobes, in the left inferior frontal lobe and in the precuneus during encoding of concrete compared to abstract nouns. This makes a single exclusive theory unlikely and rather suggests a combination of both models. Superior encoding of concrete words in the present study may result from (1) greater verbal context resources reflected by the activation of left parietal and frontal associative areas, and (2) the additional activation of a non-verbal, perhaps spatial imagery-based system, in the right parietal lobe. Copyright 2000 Academic Press.

Analysis of the Optimum Usage of Slag for the Compressive Strength of Concrete.

PubMed

Lee, Han-Seung; Wang, Xiao-Yong; Zhang, Li-Na; Koh, Kyung-Taek

2015-03-18

Ground granulated blast furnace slag is widely used as a mineral admixture to replace partial Portland cement in the concrete industry. As the amount of slag increases, the late-age compressive strength of concrete mixtures increases. However, after an optimum point, any further increase in slag does not improve the late-age compressive strength. This optimum replacement ratio of slag is a crucial factor for its efficient use in the concrete industry. This paper proposes a numerical procedure to analyze the optimum usage of slag for the compressive strength of concrete. This numerical procedure starts with a blended hydration model that simulates cement hydration, slag reaction, and interactions between cement hydration and slag reaction. The amount of calcium silicate hydrate (CSH) is calculated considering the contributions from cement hydration and slag reaction. Then, by using the CSH contents, the compressive strength of the slag-blended concrete is evaluated. Finally, based on the parameter analysis of the compressive strength development of concrete with different slag inclusions, the optimum usage of slag in concrete mixtures is determined to be approximately 40% of the total binder content. The proposed model is verified through experimental results of the compressive strength of slag-blended concrete with different water-to-binder ratios and different slag inclusions.

PFC2D simulation of thermally induced cracks in concrete specimens

NASA Astrophysics Data System (ADS)

Liu, Xinghong; Chang, Xiaolin; Zhou, Wei; Li, Shuirong

2013-06-01

The appearance of cracks exposed to severe environmental conditions can be critical for concrete structures. The research is to validate Particle Flow Code(PFC2D) method in the context of concrete thermally-induced cracking simulations. First, concrete was discreted as meso-level units of aggregate, cement mortar and the interfaces between them. Parallel bonded-particle model in PFC2D was adapted to describe the constitutive relation of the cementing material. Then, the concrete mechanics meso-parameters were obtained through several groups of biaxial tests, in order to make the numerical results comply with the law of the indoor test. The concrete thermal meso-parameters were determined by compared with the parameters in the empirical formula through the simulations imposing a constant heat flow to the left margin of concrete specimens. At last, a case of 1000mm×500mm concrete specimen model was analyzed. It simulated the formation and development process of the thermally-induced cracks under the cold waves of different durations and temperature decline. Good agreements in fracture morphology and process were observed between the simulations, previous studies and laboratory data. The temperature decline limits during cold waves were obtained when its tensile strength was given as 3MPa. And it showed the feasibility of using PFC2D to simulate concrete thermally-induced cracking.

Analysis of the Optimum Usage of Slag for the Compressive Strength of Concrete

PubMed Central

Lee, Han-Seung; Wang, Xiao-Yong; Zhang, Li-Na; Koh, Kyung-Taek

2015-01-01

Ground granulated blast furnace slag is widely used as a mineral admixture to replace partial Portland cement in the concrete industry. As the amount of slag increases, the late-age compressive strength of concrete mixtures increases. However, after an optimum point, any further increase in slag does not improve the late-age compressive strength. This optimum replacement ratio of slag is a crucial factor for its efficient use in the concrete industry. This paper proposes a numerical procedure to analyze the optimum usage of slag for the compressive strength of concrete. This numerical procedure starts with a blended hydration model that simulates cement hydration, slag reaction, and interactions between cement hydration and slag reaction. The amount of calcium silicate hydrate (CSH) is calculated considering the contributions from cement hydration and slag reaction. Then, by using the CSH contents, the compressive strength of the slag-blended concrete is evaluated. Finally, based on the parameter analysis of the compressive strength development of concrete with different slag inclusions, the optimum usage of slag in concrete mixtures is determined to be approximately 40% of the total binder content. The proposed model is verified through experimental results of the compressive strength of slag-blended concrete with different water-to-binder ratios and different slag inclusions. PMID:28787998

Finite element modeling of concrete structures strengthened with FRP laminates

DOT National Transportation Integrated Search

2001-05-01

Linear and non-linear method models were developed for a reinforced concrete bridge that had been strengthened with fiber reinforced polymer (FRP) composites. ANSYS and SAP2000 modeling software were used; however, most of the development effort used...

Damage Model of Reinforced Concrete Members under Cyclic Loading

NASA Astrophysics Data System (ADS)

Wei, Bo Chen; Zhang, Jing Shu; Zhang, Yin Hua; Zhou, Jia Lai

2018-06-01

Based on the Kumar damage model, a new damage model for reinforced concrete members is established in this paper. According to the damage characteristics of reinforced concrete members subjected to cyclic loading, four judgment conditions for determining the rationality of damage models are put forward. An ideal damage index (D) is supposed to vary within a scale of zero (no damage) to one (collapse). D should be a monotone increasing function which tends to increase in the case of the same displacement amplitude. As for members under large displacement amplitude loading, the growth rate of D should be greater than that of D under small amplitude displacement loading. Subsequently, the Park-Ang damage model, the Niu-Ren damage model, the Lu-Wang damage model and the proposed damage model are analyzed for 30 experimental reinforced concrete members, including slabs, walls, beams and columns. The results show that current damage models do not fully matches the reasonable judgment conditions, but the proposed damage model does. Therefore, a conclusion can be drawn that the proposed damage model can be used for evaluating and predicting damage performance of RC members under cyclic loading.

Application of an Artificial Stomach-Duodenum Reduced Gastric pH Dog Model for Formulation Principle Assessment and Mechanistic Performance Understanding.

PubMed

Lee, Chen-Ming; Luner, Paul E; Locke, Karen; Briggs, Katherine

2017-08-01

The objective of this study was to develop an artificial stomach-duodenum (ASD) dissolution model as an in vitro evaluation tool that would simulate the gastrointestinal physiology of gastric pH-reduced dogs as a method to assess formulations for a poorly soluble free acid compound with ng/mL solubility. After establishing the ASD model with well-controlled duodenum pH, 5 formulations each applying different solubilization principles were developed and their performance in the ASD model and in vivo in dogs was evaluated. Excellent correlations were obtained between dog area under the curve (AUC) and ASD AUC of 5 formulations evaluated with simulated intestinal fluid (r 2  = 0.987) and fasted-state simulated intestinal fluid (r 2  = 0.989) as the duodenum dissolution medium, indicating that the approach of infusing NaOH into duodenum compartment to maintain duodenum pH of an ASD worked properly in simulating gastric pH-reduced dog. Raman spectroscopy was used to study drug dissolution kinetics associated with different solubilization principles and the results suggested that the solubilization principles performed as designed. Spectroscopic results also identified that the compound formed a gel during dissolution and hypromellose maintained the drug-gelled state to avoid further solid form conversion. The implication of the compound physical gelation to drug dissolution kinetics and in vivo exposure are discussed. Copyright © 2017 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

Quality-by-design case study: investigation of the role of poloxamer in immediate-release tablets by experimental design and multivariate data analysis.

PubMed

Kaul, Goldi; Huang, Jun; Chatlapalli, Ramarao; Ghosh, Krishnendu; Nagi, Arwinder

2011-12-01

The role of poloxamer 188, water and binder addition rate, on retarding dissolution in immediate-release tablets of a model drug from BCS class II was investigated by means of multivariate data analysis (MVDA) combined with design of experiments (DOE). While the DOE analysis yielded important clues into the cause-and-effect relationship between the responses and design factors, multivariate data analysis of the 40+ variables provided additional information on slowdown in tablet dissolution. A steep dependence of both tablet dissolution and disintegration on the poloxamer and less so on other design variables was observed. Poloxamer was found to increase dissolution rates in granules as expected of surfactants in general but retard dissolution in tablets. The unexpected effect of poloxamer in tablets was accompanied by an increase in tablet-disintegration-time-mediated slowdown of tablet dissolution and by a surrogate binding effect of poloxamer at higher concentrations. It was additionally realized through MVDA that poloxamer in tablets either acts as a binder by itself or promotes binder action of the binder povidone resulting in increased intragranular cohesion. Additionally, poloxamer was found to mediate tablet dissolution on stability as well. In contrast to tablet dissolution at release (time zero), poloxamer appeared to increase tablet dissolution in a concentration-dependent manner on accelerated open-dish stability. Substituting polysorbate 80 as an alternate surfactant in place of poloxamer in the formulation was found to stabilize tablet dissolution.

Evaluation of the Chemical and Mechanical Properties of Hardening High-Calcium Fly Ash Blended Concrete

PubMed Central

Fan, Wei-Jie; Wang, Xiao-Yong; Park, Ki-Bong

2015-01-01

High-calcium fly ash (FH) is the combustion residue from electric power plants burning lignite or sub-bituminous coal. As a mineral admixture, FH can be used to produce high-strength concrete and high-performance concrete. The development of chemical and mechanical properties is a crucial factor for appropriately using FH in the concrete industry. To achieve sustainable development in the concrete industry, this paper presents a theoretical model to systematically evaluate the property developments of FH blended concrete. The proposed model analyzes the cement hydration, the reaction of free CaO in FH, and the reaction of phases in FH other than free CaO. The mutual interactions among cement hydration, the reaction of free CaO in FH, and the reaction of other phases in FH are also considered through the calcium hydroxide contents and the capillary water contents. Using the hydration degree of cement, the reaction degree of free CaO in FH, and the reaction degree of other phases in FH, the proposed model evaluates the calcium hydroxide contents, the reaction degree of FH, chemically bound water, porosity, and the compressive strength of hardening concrete with different water to binder ratios and FH replacement ratios. The evaluated results are compared to experimental results, and good consistencies are found. PMID:28793543

Quantifying the biodegradation of phenanthrene by Pseudomonas stutzeri P16 in the presence of a nonionic surfactant.

PubMed Central

Grimberg, S J; Stringfellow, W T; Aitken, M D

1996-01-01

The low water solubility of polycyclic aromatic hydrocarbons is believed to limit their availability to microorganisms, which is a potential problem for bioremediation of polycyclic aromatic hydrocarbon-contaminated sites. Surfactants have been suggested to enhance the bioavailability of hydrophobic compounds, but both negative and positive effects of surfactants on biodegradation have been reported in the literature. Earlier, we presented mechanistic models of the effects of surfactants on phenanthrene dissolution and on the biodegradation kinetics of phenanthrene solubilized in surfactant micelles. In this study, we combined the biodegradation and dissolution models to quantify the influence of the surfactant Tergitol NP-10 on biodegradation of solid-phase phenanthrene by Pseudomonas stutzeri P16. Although micellized phenanthrene does not appear to be available directly to the bacterium, the ability of the surfactant to increase the phenanthrene dissolution rate resulted in an overall increase in bacterial growth rate in the presence of the surfactant. Experimental observations could be predicted well by the derived model with measured biokinetic and dissolution parameters. The proposed model therefore can serve as a base case for understanding the physical-chemical effects of surfactants on nonaqueous hydrocarbon bioavailability. PMID:8779577

LRFD software for design and actual ultimate capacity of confined rectangular columns.

DOT National Transportation Integrated Search

2013-04-01

The analysis of concrete columns using unconfined concrete models is a well established practice. On the : other hand, prediction of the actual ultimate capacity of confined concrete columns requires specialized nonlinear : analysis. Modern codes and...

Improved analysis tool for concrete pavement : [project summary].

DOT National Transportation Integrated Search

2017-10-01

University of Florida researchers developed 3D-FE models to more accurately predict the behavior of concrete slabs. They also followed up on a project to characterize strain gauge performance for a Florida Department of Transportation (FDOT) concrete...

Effect of Ca(OH)2, NaCl, and Na2SO4 on the corrosion and electrochemical behavior of rebar

NASA Astrophysics Data System (ADS)

Jin, Zuquan; Zhao, Xia; Zhao, Tiejun; Hou, Baorong; Liu, Ying

2017-05-01

The corrosion of rebar in reinforced concrete in marine environments causes significant damage to structures built in ocean environments. Studies on the process and mechanism of corrosion of rebar in the presence of multiple ions may help to control damage and predict the service life of reinforced concrete structures in such environments. The effect of interactions between sulfate and chloride ions and calcium hydroxide on the electrochemical behavior of rebar are also important for evaluation of structure durability. In this work, electrochemical impedance spectroscopy (EIS) plots of rebar in Ca(OH)2 solution and cement grout, including NaCl and Na2SO4 as aggressive salts, were measured for diff erent immersion times. The results show that corrosion of rebar was controlled by the rate of charge transfer as the rebar was exposed to chloride solution. In the presence of high concentrations of sulfate ions in the electrolyte, generation and dissolution of the passive film proceeded simultaneously and corrosion was mainly controlled by the diff usion rate. When Na2SO4 and NaCl were added to Ca(OH)2 solution, the instantaneous corrosion rate decreased by a factor of 10 to 20 as a result of the higher pH of the corroding solution.

Numerical Analysis on the High-Strength Concrete Beams Ultimate Behaviour

NASA Astrophysics Data System (ADS)

Smarzewski, Piotr; Stolarski, Adam

2017-10-01

Development of technologies of high-strength concrete (HSC) beams production, with the aim of creating a secure and durable material, is closely linked with the numerical models of real objects. The three-dimensional nonlinear finite element models of reinforced high-strength concrete beams with a complex geometry has been investigated in this study. The numerical analysis is performed using the ANSYS finite element package. The arc-length (A-L) parameters and the adaptive descent (AD) parameters are used with Newton-Raphson method to trace the complete load-deflection curves. Experimental and finite element modelling results are compared graphically and numerically. Comparison of these results indicates the correctness of failure criteria assumed for the high-strength concrete and the steel reinforcement. The results of numerical simulation are sensitive to the modulus of elasticity and the shear transfer coefficient for an open crack assigned to high-strength concrete. The full nonlinear load-deflection curves at mid-span of the beams, the development of strain in compressive concrete and the development of strain in tensile bar are in good agreement with the experimental results. Numerical results for smeared crack patterns are qualitatively agreeable as to the location, direction, and distribution with the test data. The model was capable of predicting the introduction and propagation of flexural and diagonal cracks. It was concluded that the finite element model captured successfully the inelastic flexural behaviour of the beams to failure.

Review of Concrete Biodeterioration in Relation to Buried Nuclear Waste

DOE Office of Scientific and Technical Information (OSTI.GOV)

Turick, C; Berry, C.

Long-term storage of low level radioactive material in below ground concrete disposal units (DUs) (Saltstone Disposal Facility) is a means of depositing wastes generated from nuclear operations of the U.S. Department of Energy. Based on the currently modeled degradation mechanisms, possible microbial induced effects on the structural integrity of buried low level wastes must be addressed. Previous international efforts related to microbial impacts on concrete structures that house low level radioactive waste showed that microbial activity can play a significant role in the process of concrete degradation and ultimately structural deterioration. This literature review examines the recent research in thismore » field and is focused on specific parameters that are applicable to modeling and prediction of the fate of concrete vaults housing stored wastes and the wastes themselves. Rates of concrete biodegradation vary with the environmental conditions, illustrating a need to understand the bioavailability of key compounds involved in microbial activity. Specific parameters require pH and osmotic pressure to be within a certain range to allow for microbial growth as well as the availability and abundance of energy sources like components involved in sulfur, iron and nitrogen oxidation. Carbon flow and availability are also factors to consider in predicting concrete biodegradation. The results of this review suggest that microbial activity in Saltstone, (grouted low level radioactive waste) is unlikely due to very high pH and osmotic pressure. Biodegradation of the concrete vaults housing the radioactive waste however, is a possibility. The rate and degree of concrete biodegradation is dependent on numerous physical, chemical and biological parameters. Results from this review point to parameters to focus on for modeling activities and also, possible options for mitigation that would minimize concrete biodegradation. In addition, key chemical components that drive microbial activity on concrete surfaces are discussed.« less

Adaptive Crack Modeling with Interface Solid Elements for Plain and Fiber Reinforced Concrete Structures.

PubMed

Zhan, Yijian; Meschke, Günther

2017-07-08

The effective analysis of the nonlinear behavior of cement-based engineering structures not only demands physically-reliable models, but also computationally-efficient algorithms. Based on a continuum interface element formulation that is suitable to capture complex cracking phenomena in concrete materials and structures, an adaptive mesh processing technique is proposed for computational simulations of plain and fiber-reinforced concrete structures to progressively disintegrate the initial finite element mesh and to add degenerated solid elements into the interfacial gaps. In comparison with the implementation where the entire mesh is processed prior to the computation, the proposed adaptive cracking model allows simulating the failure behavior of plain and fiber-reinforced concrete structures with remarkably reduced computational expense.

Nonlinear fracture of concrete and ceramics

NASA Technical Reports Server (NTRS)

Kobayashi, Albert S.; Du, Jia-Ji; Hawkins, Niel M.; Bradt, Richard C.

1989-01-01

The nonlinear fracture process zones in an impacted unnotched concrete bend specimen, a prenotched ceramic bend specimen, and an unnotched ceramic/ceramic composite bend specimen were estimated through hybrid experimental numerical analysis. Aggregate bridging in concrete, particulate bridging in ceramics, and fiber bridging in ceramic/ceramic composite are modeled by Barenblatt-type cohesive zones which are incorporated into the finite-element models of the bend specimens. Both generation and propagation analyses are used to estimate the distribution of crack closure stresses in the nonlinear fracture process zones. The finite-element models are then used to simulate fracture tests consisting of rapid crack propagation in an impacted concrete bend specimen, and stable crack growth and strain softening in a ceramic and ceramic/ceramic composite bend specimens.

Adaptive Crack Modeling with Interface Solid Elements for Plain and Fiber Reinforced Concrete Structures

PubMed Central

Zhan, Yijian

2017-01-01

The effective analysis of the nonlinear behavior of cement-based engineering structures not only demands physically-reliable models, but also computationally-efficient algorithms. Based on a continuum interface element formulation that is suitable to capture complex cracking phenomena in concrete materials and structures, an adaptive mesh processing technique is proposed for computational simulations of plain and fiber-reinforced concrete structures to progressively disintegrate the initial finite element mesh and to add degenerated solid elements into the interfacial gaps. In comparison with the implementation where the entire mesh is processed prior to the computation, the proposed adaptive cracking model allows simulating the failure behavior of plain and fiber-reinforced concrete structures with remarkably reduced computational expense. PMID:28773130

Understanding and predicting the impact of critical dissolution variables for nifedipine immediate release capsules by multivariate data analysis.

PubMed

Mercuri, A; Pagliari, M; Baxevanis, F; Fares, R; Fotaki, N

2017-02-25

In this study the selection of in vivo predictive in vitro dissolution experimental set-ups using a multivariate analysis approach, in line with the Quality by Design (QbD) principles, is explored. The dissolution variables selected using a design of experiments (DoE) were the dissolution apparatus [USP1 apparatus (basket) and USP2 apparatus (paddle)], the rotational speed of the basket/or paddle, the operator conditions (dissolution apparatus brand and operator), the volume, the pH, and the ethanol content of the dissolution medium. The dissolution profiles of two nifedipine capsules (poorly soluble compound), under conditions mimicking the intake of the capsules with i. water, ii. orange juice and iii. an alcoholic drink (orange juice and ethanol) were analysed using multiple linear regression (MLR). Optimised dissolution set-ups, generated based on the mathematical model obtained via MLR, were used to build predicted in vitro-in vivo correlations (IVIVC). IVIVC could be achieved using physiologically relevant in vitro conditions mimicking the intake of the capsules with an alcoholic drink (orange juice and ethanol). The multivariate analysis revealed that the concentration of ethanol used in the in vitro dissolution experiments (47% v/v) can be lowered to less than 20% v/v, reflecting recently found physiological conditions. Copyright © 2016 Elsevier B.V. All rights reserved.

Modelling the effect of severe storms in coastal pollution

NASA Astrophysics Data System (ADS)

Grau, A.; Bolea, Y.; Guerra, E.

2009-09-01

Modelling and simulation of real events can be very useful to prevent environmental disasters, but these disasters can affect the health and life of human beings; then such tools become definitively necessary for governmental authorities to avoid population risk. In this wok we present a mathematical model that combines the effect of Mediterranean storms together with the effect of wastewater emissary dissolutions at the sea. The emissary model corresponds to a Catalan wastewater plant, the Besos plant in Barcelona. This plant throws the wastewater to the Mediterranean Sea with a 3-km pipe emissary, after a bacteriologically polluted secondary treatment. This polluted water is dissoluted in the salty water, provoking the death of all bacteria agents before they reach the coast. But in difficult conditions under violent storms, with strong East winds, the bacteriological polluted dissolution reaches the shore before the bacteria die and, therefore, a severe coastal pollution is produced. Its consequence can incur in a public health problem and the different governmental agencies activate great alarms to avoid population hazard. Storms modelling permits to evaluate the risk of coastal pollution predicting the wastewater dissolution path and velocity. Several simulations are presented under different storm conditions, making this tool very useful for the environmental protection agencies in the Catalan government.

Mathematical model to analyze the dissolution behavior of metastable crystals or amorphous drug accompanied with a solid-liquid interface reaction.

PubMed

Hirai, Daiki; Iwao, Yasunori; Kimura, Shin-Ichiro; Noguchi, Shuji; Itai, Shigeru

2017-04-30

Metastable crystals and the amorphous state of poorly water-soluble drugs in solid dispersions (SDs), are subject to a solid-liquid interface reaction upon exposure to a solvent. The dissolution behavior during the solid-liquid interface reaction often shows that the concentration of drugs is supersaturated, with a high initial drug concentration compared with the solubility of stable crystals but finally approaching the latter solubility with time. However, a method for measuring the precipitation rate of stable crystals and/or the potential solubility of metastable crystals or amorphous drugs has not been established. In this study, a novel mathematical model that can represent the dissolution behavior of the solid-liquid interface reaction for metastable crystals or amorphous drug was developed and its validity was evaluated. The theory for this model was based on the Noyes-Whitney equation and assumes that the precipitation of stable crystals at the solid-liquid interface occurs through a first-order reaction. Moreover, two models were developed, one assuming that the surface area of the drug remains constant because of the presence of excess drug in the bulk and the other that the surface area changes in time-dependency because of agglomeration of the drug. SDs of Ibuprofen (IB)/polyvinylpyrrolidone (PVP) were prepared and their dissolution behaviors under non-sink conditions were fitted by the models to evaluate improvements in solubility. The model assuming time-dependent surface area showed good agreement with experimental values. Furthermore, by applying the model to the dissolution profile, parameters such as the precipitation rate and the potential solubility of the amorphous drug were successfully calculated. In addition, it was shown that the improvement in solubility with supersaturation was able to be evaluated quantitatively using this model. Therefore, this mathematical model would be a useful tool to quantitatively determine the supersaturation concentration of a metastable drug from solid dispersions. Copyright © 2017 Elsevier B.V. All rights reserved.

Nonaqueous Phase Liquid Dissolution in Porous Media: Multi-Scale Effects of Multi-Component Dissolution Kinetics on Cleanup Time

DOE Office of Scientific and Technical Information (OSTI.GOV)

McNab, W; Ezzedine, S; Detwiler, R

2007-02-26

Industrial organic solvents such as trichloroethylene (TCE) and tetrachloroethylene (PCE) constitute a principal class of groundwater contaminants. Cleanup of groundwater plume source areas associated with these compounds is problematic, in part, because the compounds often exist in the subsurface as dense nonaqueous phase liquids (DNAPLs). Ganglia (or 'blobs') of DNAPL serve as persistent sources of contaminants that are difficult to locate and remediate (e.g. Fenwick and Blunt, 1998). Current understanding of the physical and chemical processes associated with dissolution of DNAPLs in the subsurface is incomplete and yet is critical for evaluating long-term behavior of contaminant migration, groundwater cleanup, andmore » the efficacy of source area cleanup technologies. As such, a goal of this project has been to contribute to this critical understanding by investigating the multi-phase, multi-component physics of DNAPL dissolution using state-of-the-art experimental and computational techniques. Through this research, we have explored efficient and accurate conceptual and numerical models for source area contaminant transport that can be used to better inform the modeling of source area contaminants, including those at the LLNL Superfund sites, to re-evaluate existing remediation technologies, and to inspire or develop new remediation strategies. The problem of DNAPL dissolution in natural porous media must be viewed in the context of several scales (Khachikian and Harmon, 2000), including the microscopic level at which capillary forces, viscous forces, and gravity/buoyancy forces are manifested at the scale of individual pores (Wilson and Conrad, 1984; Chatzis et al., 1988), the mesoscale where dissolution rates are strongly influenced by the local hydrodynamics, and the field-scale. Historically, the physico-chemical processes associated with DNAPL dissolution have been addressed through the use of lumped mass transfer coefficients which attempt to quantify the dissolution rate in response to local dissolved-phase concentrations distributed across the source area using a volume-averaging approach (Figure 1). The fundamental problem with the lumped mass transfer parameter is that its value is typically derived empirically through column-scale experiments that combine the effects of pore-scale flow, diffusion, and pore-scale geometry in a manner that does not provide a robust theoretical basis for upscaling. In our view, upscaling processes from the pore-scale to the field-scale requires new computational approaches (Held and Celia, 2001) that are directly linked to experimental studies of dissolution at the pore scale. As such, our investigation has been multi-pronged, combining theory, experiments, numerical modeling, new data analysis approaches, and a synthesis of previous studies (e.g. Glass et al, 2001; Keller et al., 2002) aimed at quantifying how the mechanisms controlling dissolution at the pore-scale control the long-term dissolution of source areas at larger scales.« less

Ultra-high performance fibre-reinforced concrete under impact: experimental analysis of the mechanical response in extreme conditions and modelling using the Pontiroli, Rouquand and Mazars model

NASA Astrophysics Data System (ADS)

Erzar, Benjamin; Pontiroli, Christophe; Buzaud, Eric

2017-01-01

To evaluate the vulnerability of ultra-high performance fibre-reinforced concrete (UHPFRC) infrastructure to rigid projectile penetration, over the last few years CEA-Gramat has led an experimental and numerical research programme in collaboration with French universities. During the penetration process, concrete is subjected to extreme conditions of pressure and strain rate. Plasticity mechanisms as well as dynamic tensile and/or shear damage are activated during the tunnelling phase and the cratering of the concrete target. Each mechanism has been investigated independently at the laboratory scale and the role of steel fibres especially has been analysed to understand their influence on the macroscopic behaviour. To extend the experimental results to the structural scale, penetration tests on UHPFRC slabs have been conducted by CEA-Gramat. The analysis of this dataset combined with material characterization experiments allows the role of steel fibres to be identified in the different plasticity and damage mechanisms occurring during penetration. In parallel, some improvements have been introduced into the concrete model developed by Pontiroli, Rouquand and Mazars (PRM model), especially to take into account the contribution made by the fibres in the tensile fracture process. After a primary phase of validation, the capabilities of the PRM model are illustrated by performing numerical simulations of projectile penetration into UHPFRC concrete structures. This article is part of the themed issue 'Experimental testing and modelling of brittle materials at high strain rates'.

Ultra-high performance fibre-reinforced concrete under impact: experimental analysis of the mechanical response in extreme conditions and modelling using the Pontiroli, Rouquand and Mazars model

PubMed Central

Erzar, Benjamin; Buzaud, Eric

2017-01-01

To evaluate the vulnerability of ultra-high performance fibre-reinforced concrete (UHPFRC) infrastructure to rigid projectile penetration, over the last few years CEA-Gramat has led an experimental and numerical research programme in collaboration with French universities. During the penetration process, concrete is subjected to extreme conditions of pressure and strain rate. Plasticity mechanisms as well as dynamic tensile and/or shear damage are activated during the tunnelling phase and the cratering of the concrete target. Each mechanism has been investigated independently at the laboratory scale and the role of steel fibres especially has been analysed to understand their influence on the macroscopic behaviour. To extend the experimental results to the structural scale, penetration tests on UHPFRC slabs have been conducted by CEA-Gramat. The analysis of this dataset combined with material characterization experiments allows the role of steel fibres to be identified in the different plasticity and damage mechanisms occurring during penetration. In parallel, some improvements have been introduced into the concrete model developed by Pontiroli, Rouquand and Mazars (PRM model), especially to take into account the contribution made by the fibres in the tensile fracture process. After a primary phase of validation, the capabilities of the PRM model are illustrated by performing numerical simulations of projectile penetration into UHPFRC concrete structures. This article is part of the themed issue ‘Experimental testing and modelling of brittle materials at high strain rates’. PMID:27956509

Ultra-high performance fibre-reinforced concrete under impact: experimental analysis of the mechanical response in extreme conditions and modelling using the Pontiroli, Rouquand and Mazars model.

PubMed

Erzar, Benjamin; Pontiroli, Christophe; Buzaud, Eric

2017-01-28

To evaluate the vulnerability of ultra-high performance fibre-reinforced concrete (UHPFRC) infrastructure to rigid projectile penetration, over the last few years CEA-Gramat has led an experimental and numerical research programme in collaboration with French universities. During the penetration process, concrete is subjected to extreme conditions of pressure and strain rate. Plasticity mechanisms as well as dynamic tensile and/or shear damage are activated during the tunnelling phase and the cratering of the concrete target. Each mechanism has been investigated independently at the laboratory scale and the role of steel fibres especially has been analysed to understand their influence on the macroscopic behaviour. To extend the experimental results to the structural scale, penetration tests on UHPFRC slabs have been conducted by CEA-Gramat. The analysis of this dataset combined with material characterization experiments allows the role of steel fibres to be identified in the different plasticity and damage mechanisms occurring during penetration. In parallel, some improvements have been introduced into the concrete model developed by Pontiroli, Rouquand and Mazars (PRM model), especially to take into account the contribution made by the fibres in the tensile fracture process. After a primary phase of validation, the capabilities of the PRM model are illustrated by performing numerical simulations of projectile penetration into UHPFRC concrete structures.This article is part of the themed issue 'Experimental testing and modelling of brittle materials at high strain rates'. © 2016 The Author(s).

Predicting temperature drop rate of mass concrete during an initial cooling period using genetic programming

NASA Astrophysics Data System (ADS)

Bhattarai, Santosh; Zhou, Yihong; Zhao, Chunju; Zhou, Huawei

2018-02-01

Thermal cracking on concrete dams depends upon the rate at which the concrete is cooled (temperature drop rate per day) within an initial cooling period during the construction phase. Thus, in order to control the thermal cracking of such structure, temperature development due to heat of hydration of cement should be dropped at suitable rate. In this study, an attempt have been made to formulate the relation between cooling rate of mass concrete with passage of time (age of concrete) and water cooling parameters: flow rate and inlet temperature of cooling water. Data measured at summer season (April-August from 2009 to 2012) from recently constructed high concrete dam were used to derive a prediction model with the help of Genetic Programming (GP) software “Eureqa”. Coefficient of Determination (R) and Mean Square Error (MSE) were used to evaluate the performance of the model. The value of R and MSE is 0.8855 and 0.002961 respectively. Sensitivity analysis was performed to evaluate the relative impact on the target parameter due to input parameters. Further, testing the proposed model with an independent dataset those not included during analysis, results obtained from the proposed GP model are close enough to the real field data.

Finite element modeling of reinforced concrete structures strengthened with FRP laminates : final report.

DOT National Transportation Integrated Search

2001-05-01

Linear and non-linear finite element method models were developed for a reinforced concrete bridge that had been strengthened with fiber reinforced polymer composites. ANSYS and SAP2000 modeling software were used; however, most of the development ef...

Novel Concrete Chemistry Achieved with Low Dose Gamma Radiation Curing and Resistance to Neutron Activation

NASA Astrophysics Data System (ADS)

Burnham, Steven Robert

As much as 50% of ageing-related problems with concrete structures can be attributed to con-struction deficiencies at the time of placement. The most influential time affecting longevity of concrete structures is the curing phase, or commonly the initial 28 days following its placement. A novel advanced atomistic analysis of novel concrete chemistry is presented in this dissertation with the objective to improve concrete structural properties and its longevity. Based on experiments and computational models, this novel concrete chemistry is discussed in two cases: (a) concrete chemistry changes when exposed to low-dose gamma radiation in its early curing stage, thus improving its strength in a shorter period of time then curing for the conventional 28 days; (b) concrete chemistry is controlled by its atomistic components to assure strength is not reduced but that its activation due to long-term exposure to neutron flux in nuclear power plants is negligible. High dose gamma radiation is well documented as a degradation mechanism that decreases concrete's compressive strength; however, the effects of low-dose gamma radiation on the initial curing phase of concrete, having never been studied before, proved its compressive strength increases. Using a 137 Cs source, concrete samples were subjected to gamma radiation during the initial curing phase for seven, 14, and 28 days. The compressive strength after seven days is improved for gamma cured concrete by 24% and after 14 days by 76%. Concrete shows no improvement in compressive strength after 28 days of exposure to gamma radiation, showing that there is a threshold effect. Scanning Electron Microscopy is used to examine the microstructure of low-dose gamma radiation where no damage to its microstructure is found, showing no difference between gamma cured and conventionally cured concrete. Molecular dynamics modeling based on the MOPAC package is used to study how gamma radiation during the curing stage improves compressive strength of concrete. The modeling shows that when radiolysis occurs in freshly mixed concrete, the reactivity between key molecules responsible for bonding between cement and aggregate is enhanced due to improved reactivity at the molecular level. A new method is developed that successfully controls a concrete chemistry at the atomistic level by assuring its long-term exposure to neutron flux in nuclear power plants will not activate the dome wall to the level of low-level radioactive waste. This methodology is established to detect and select the level of trace elemental composition in concrete based on a low-flux neutron activation analysis (NAA). By carefully selecting aggregates that do not contain certain elements that activate to high concentrations after decades of concrete exposure to neutron flux, the end of life for concrete is improved by declassifying it as low-level radioactive waste. Directly, it improves economy of commissioning nuclear power plants to be built in near future and reducing important quantities of waste to be disposed at high costs.

Economic analysis of recycling contaminated concrete

DOE Office of Scientific and Technical Information (OSTI.GOV)

Stephen, A.; Ayers, K.W.; Boren, J.K.

1997-02-01

Decontamination and Decommissioning activities in the DOE complex generate large volumes of radioactively contaminated and uncontaminated concrete. Currently, this concrete is usually decontaminated, the contaminated waste is disposed of in a LLW facility and the decontaminated concrete is placed in C&D landfills. A number of alternatives to this practice are available including recycling of the concrete. Cost estimates for six alternatives were developed using a spreadsheet model. The results of this analysis show that recycling alternatives are at least as economical as current practice.

Effects of drug-carrier interactions on drug dissolution from binary and ternary matrices

NASA Astrophysics Data System (ADS)

Iqbal, Zafar

For nearly five decades, pharmaceutical researchers have studied solid solutions of drugs in polymers as a potential means to enhance the dissolution of drugs with poor aqueous solubility. This has become of greater importance in recent years because most new potential drug compounds (new chemical entities) exhibit poor water solubility and present great challenges to scientists who must design dosage forms from which the drugs are bioavailable. During the formulation of a solid solution, the drug undergoes physical but not chemical alterations that increase its chemical potential in the formulation relative to that of the pure drug in its stable form. This increased chemical potential is responsible for enhanced dissolution as well as physical instabilities, such as amorphous to crystalline conversions and precipitation within the solid state. The chemical potential is derived from the Gibbs free energy, so it is reasonable to explain the behavior of solid solution systems in terms of thermodynamics. Solid solutions and dispersions have been extensively studied by pharmaceutical scientists, both with regard to manufacturing aspects and the proposal of various models in attempts to explain the physical bases for how these systems work. Recently, Dave and Bellantone proposed a model based on the thermodynamic changes resulting from the formulation of binary solid solutions of a drug in the polymer PVP. Their model introduced a modification of the F-H theory, which was used to quantify the drug-polymer interaction energies and calculate the entropy of mixing of the drug and polymer. In this work, the model of Dave and Bellantone was extended to include three-component systems, consisting of one drug mixed in a carrier matrix consisting of mixture of two polymers or a polymer and a surfactant. For this research, solid solutions were formed using various drug weight fractions in the formulations. The study focused on the following points: (1) Prepare solid solution formulations and perform appropriate physical characterizations. (2) Characterize the increase in drug dissolution rates resulting from solid solution formulations. (3) Relate the initial dissolution rates to the drug solubility. (4) Explain the solubility enhancement from solid solution dosage in terms of the drug polymer interactions using the extended thermodynamic model. Two poorly water soluble drugs, levonorgestrel (LEVO) and ethinyl estradiol (EE) were formulated in seven solid solution preparations comprised of four carrier systems. Materials used as carriers included various combinations of the polymers PVP K-30, Copovidone (COP), Poloxamer 182, and the surfactant TweenRTM 20. Additionally, ibuprofen (IBU) was used in three formulations consisting of various combinations of PVP K-30, Copovidone and TweenRTM 20. Formulations with various drug weight fractions (0.5%--30%) were prepared using the solvent evaporation technique. Each formulation was tested for dissolution using intrinsic dissolution apparatus (USP). The solid solutions were compressed into tablets into the sample die that maintained a constant surface area during the dissolution process. DSC, XRD and NIRS scans identified that the crystalline peaks of the drug disappeared with the addition of the polymer for all ratios of EE, indicating the formation of solid solutions (to within the limits of detection of the equipment). This was also observed for the LEVO dispersions up to 10% drug loading. At higher drug loading, solutions were formed but some small degree crystallinity was also present. For each experiment, the initial dissolution rates were obtained from the slope of the mass dissolved vs. time plots taken at early times, and volume normalized initial dissolution rates RV were calculated by dividing the initial dissolution rate by the volume fraction of the drug in the formulation. Comparison of the RV values for the various formulations with a reference RV (typically that of the pure drug or of the formulation with the highest polymer content) allowed calculation of relative volume normalized dissolution rates (RNV). The various RNV were used in the thermodynamic model for data analyses and to determine the interactions between the drug and carrier molecules. It was generally seen that RNV increased with decreased drug fraction, and was adequately modeled by the equations derived from the extended thermodynamic model. It was concluded that the model proposed for the binary and ternary systems successfully represented the mechanism of drug-polymer interaction and the energy changes taken place within the dispersion systems. The dissolution data analysis and subsequent understanding of physical modifications in the dispersion systems characterized by XRD, NIRS and DSC further substantiated the findings. The understanding of the fundamental physical might help scientists to predict the effects of mixing various drugs and polymers, and the effects of varying ratios.

Predicting concrete corrosion of sewers using artificial neural network.

PubMed

Jiang, Guangming; Keller, Jurg; Bond, Philip L; Yuan, Zhiguo

2016-04-01

Corrosion is often a major failure mechanism for concrete sewers and under such circumstances the sewer service life is largely determined by the progression of microbially induced concrete corrosion. The modelling of sewer processes has become possible due to the improved understanding of in-sewer transformation. Recent systematic studies about the correlation between the corrosion processes and sewer environment factors should be utilized to improve the prediction capability of service life by sewer models. This paper presents an artificial neural network (ANN)-based approach for modelling the concrete corrosion processes in sewers. The approach included predicting the time for the corrosion to initiate and then predicting the corrosion rate after the initiation period. The ANN model was trained and validated with long-term (4.5 years) corrosion data obtained in laboratory corrosion chambers, and further verified with field measurements in real sewers across Australia. The trained model estimated the corrosion initiation time and corrosion rates very close to those measured in Australian sewers. The ANN model performed better than a multiple regression model also developed on the same dataset. Additionally, the ANN model can serve as a prediction framework for sewer service life, which can be progressively improved and expanded by including corrosion rates measured in different sewer conditions. Furthermore, the proposed methodology holds promise to facilitate the construction of analytical models associated with corrosion processes of concrete sewers. Copyright © 2016 Elsevier Ltd. All rights reserved.

The mechanisms of drug release from solid dispersions in water-soluble polymers.

PubMed

Craig, Duncan Q M

2002-01-14

Solid dispersions in water-soluble carriers have attracted considerable interest as a means of improving the dissolution rate, and hence possibly bioavailability, of a range of hydrophobic drugs. However, despite the publication of numerous original papers and reviews on the subject, the mechanisms underpinning the observed improvements in dissolution rate are not yet understood. In this review the current consensus with regard to the solid-state structure and dissolution properties of solid dispersions is critically assessed. In particular the theories of carrier- and drug-controlled dissolution are highlighted. A model is proposed whereby the release behaviour from the dispersions may be understood in terms of the dissolution or otherwise of the drug into the concentrated aqueous polymer layer adjacent to the solid surface, including a derivation of an expression to describe the release of intact particles from the dispersions. The implications of a deeper understanding of the dissolution mechanisms are discussed, with particular emphasis on optimising the choice of carrier and manufacturing method and the prediction of stability problems.

HIV status awareness, partnership dissolution and HIV transmission in generalized epidemics.

PubMed

Reniers, Georges; Armbruster, Benjamin

2012-01-01

HIV status aware couples with at least one HIV positive partner are characterized by high separation and divorce rates. This phenomenon is often described as a corollary of couples HIV Testing and Counseling (HTC) that ought to be minimized. In this contribution, we demonstrate the implications of partnership dissolution in serodiscordant couples for the propagation of HIV. We develop a compartmental model to study epidemic outcomes of elevated partnership dissolution rates in serodiscordant couples and parameterize it with estimates from population-based data (Rakai, Uganda). Via its effect on partnership dissolution, every percentage point increase in HIV status awareness reduces HIV incidence in monogamous populations by 0.27 percent for women and 0.63 percent for men. These effects are even larger when the assumption of monogamy can be relaxed, but are moderated by other behavior changes (e.g., increased condom use) in HIV status aware serodiscordant partnerships. When these behavior changes are taken into account, each percentage point increase in HIV status awareness reduces HIV incidence by 0.13 and 0.32 percent for women and men, respectively (assuming monogamy). The partnership dissolution effect exists because it decreases the fraction of serodiscordant couples in the population and prolongs the time that individuals spend outside partnerships. Our model predicts that elevated partnership dissolution rates in HIV status aware serodiscordant couples reduce the spread of HIV. As a consequence, the full impact of couples HTC for HIV prevention is probably larger than recognized to date. Particularly high partnership dissolution rates in female positive serodiscordant couples contribute to the gender imbalance in HIV infections.

Influence of drug load on dissolution behavior of tablets containing a poorly water-soluble drug: estimation of the percolation threshold.

PubMed

Wenzel, Tim; Stillhart, Cordula; Kleinebudde, Peter; Szepes, Anikó

2017-08-01

Drug load plays an important role in the development of solid dosage forms, since it can significantly influence both processability and final product properties. The percolation threshold of the active pharmaceutical ingredient (API) corresponds to a critical concentration, above which an abrupt change in drug product characteristics can occur. The objective of this study was to identify the percolation threshold of a poorly water-soluble drug with regard to the dissolution behavior from immediate release tablets. The influence of the API particle size on the percolation threshold was also studied. Formulations with increasing drug loads were manufactured via roll compaction using constant process parameters and subsequent tableting. Drug dissolution was investigated in biorelevant medium. The percolation threshold was estimated via a model dependent and a model independent method based on the dissolution data. The intragranular concentration of mefenamic acid had a significant effect on granules and tablet characteristics, such as particle size distribution, compactibility and tablet disintegration. Increasing the intragranular drug concentration of the tablets resulted in lower dissolution rates. A percolation threshold of approximately 20% v/v could be determined for both particle sizes of the API above which an abrupt decrease of the dissolution rate occurred. However, the increasing drug load had a more pronounced effect on dissolution rate of tablets containing the micronized API, which can be attributed to the high agglomeration tendency of micronized substances during manufacturing steps, such as roll compaction and tableting. Both methods that were applied for the estimation of percolation threshold provided comparable values.

Computational hydrodynamic comparison of a mini vessel and a USP 2 dissolution testing system to predict the dynamic operating conditions for similarity of dissolution performance.

PubMed

Wang, Bing; Bredael, Gerard; Armenante, Piero M

2018-03-25

The hydrodynamic characteristics of a mini vessel and a USP 2 dissolution testing system were obtained and compared to predict the tablet-liquid mass transfer coefficient from velocity distributions near the tablet and establish the dynamic operating conditions under which dissolution in mini vessels could be conducted to generate concentration profiles similar to those in the USP 2. Velocity profiles were obtained experimentally using Particle Image Velocimetry (PIV). Computational Fluid Dynamics (CFD) was used to predict the velocity distribution and strain rate around a model tablet. A CFD-based mass transfer model was also developed. When plotted against strain rate, the predicted tablet-liquid mass transfer coefficient was found to be independent of the system where it was obtained, implying that a tablet would dissolve at the same rate in both systems provided that the concentration gradient between the tablet surface and the bulk is the same, the tablet surface area per unit liquid volume is identical, and the two systems are operated at the appropriate agitation speeds specified in this work. The results of this work will help dissolution scientists operate mini vessels so as to predict the dissolution profiles in the USP 2, especially during the early stages of drug development. Copyright © 2018 Elsevier B.V. All rights reserved.

Dynamic Pore-Scale Imaging of Reactive Transport in Heterogeneous Carbonates at Reservoir Conditions Across Multiple Dissolution Regimes

NASA Astrophysics Data System (ADS)

Menke, H. P.; Bijeljic, B.; Andrew, M. G.; Blunt, M. J.

2014-12-01

Sequestering carbon in deep geologic formations is one way of reducing anthropogenic CO2 emissions. When supercritical CO2 mixes with brine in a reservoir, the acid generated has the potential to dissolve the surrounding pore structure. However, the magnitude and type of dissolution are condition dependent. Understanding how small changes in the pore structure, chemistry, and flow properties affect dissolution is paramount for successful predictive modelling. Both 'Pink Beam' synchrotron radiation and a Micro-CT lab source are used in dynamic X-ray microtomography to investigate the pore structure changes during supercritical CO2 injection in carbonate rocks of varying heterogeneity at high temperatures and pressures and various flow-rates. Three carbonate rock types were studied, one with a homogeneous pore structure and two heterogeneous carbonates. All samples are practically pure calcium carbonate, but have widely varying rock structures. Flow-rate was varied in three successive experiments by over an order of magnitude whlie keeping all other experimental conditions constant. A 4-mm carbonate core was injected with CO2-saturated brine at 10 MPa and 50oC. Tomographic images were taken at 30-second to 20-minute time-resolutions during a 2 to 4-hour injection period. A pore network was extracted using a topological analysis of the pore space and pore-scale flow modelling was performed directly on the binarized images with connected pathways and used to track the altering velocity distributions. Significant differences in dissolution type and magnitude were found for each rock type and flowrate. At the highest flow-rates, the homogeneous carbonate was seen to have predominately uniform dissolution with minor dissolution rate differences between the pores and pore throats. Alternatively, the heterogeneous carbonates which formed wormholes at high flow rates. At low flow rates the homogeneous rock developed wormholes, while the heterogeneous samples showed evidence of compact dissolution. This study serves as a unique benchmark for pore-scale reactive transport modelling directly on the binarized Micro-CT images. Dynamic pore-scale imaging methods offer advantages in helping explain the dominant processes at the pore scale so that they may be up-scaled for accurate model prediction.

The impact of temperature loading on massive concrete block resistance

NASA Astrophysics Data System (ADS)

Beran, Pavel; Kočí, Jan

2017-07-01

Very large and massive concrete blocks with thickness in interval 3.5 - 6 meters are often designed in cement industry. These massive blocks have high heat inertial and thus the thermal stress due to nonlinear temperature gradient in concrete block may occur. The coupled thermo-mechanical analysis of concrete block in Prague Czech Republic and Sterlitamak Russia was made. By the numerical model of concrete block was analyzed the typical year (called reference year) in particular localities. The results show that in concrete block the thermal stresses which are higher than the tensile strength of concrete originate. Therefore, the concrete block should be reinforced by steel rods. The values of stresses are markedly affected by climate. The significantly higher values of thermal stresses were detected in Sterlitamak than in Prague.

Rapid analysis of drug dissolution by paper spray ionization mass spectrometry.

PubMed

Liu, Yang; Liu, Ning; Zhou, Ya-Nan; Lin, Lan; He, Lan

2017-03-20

With a great quantity of solid dosage tested by dissolution technology, developing a rapid and sensitive method to access the content of drug within dissolution media is highly desired by analysts and scientists. Traditionally, dissolution media is not compatible with mass spectrometry since the inorganic salts in the media might damage the mass spectrometer. Here, paper spray ionization mass spectrometry (PSI-MS), one of the ambient mass spectrometry technologies, is developed to characterize the content of drugs in dissolution media. The porous structure of paper can effectively retain salts from entering mass spectrometer. This makes the measurement of drug content within dissolution media by mass spectrometer possible. After the experimental parameters were optimized, calibration curves of model drugs - enalapril, quinapril and benazepril were established by using corresponding deuterated internal standards. PSI-MS was then deployed to characterize the content of enalapril from the dissolution testing of enalapril tablets. The results from PSI-MS are comparable to those from HPLC characterization. More importantly, the analysis time of 6 samples is shortened from 90min to 6min. Detection limit of enalapril maleate tablets by PSI-MS is 1/300 of LC. PSI-MS is rapid, sensitive and accurate in analyzing drug content from dissolution tests. Copyright © 2016 Elsevier B.V. All rights reserved.

Mechanistic Basis of Cocrystal Dissolution Advantage.

PubMed

Cao, Fengjuan; Amidon, Gordon L; Rodríguez-Hornedo, Naír; Amidon, Gregory E

2018-01-01

Current interest in cocrystal development resides in the advantages that the cocrystal may have in solubility and dissolution compared with the parent drug. This work provides a mechanistic analysis and comparison of the dissolution behavior of carbamazepine (CBZ) and its 2 cocrystals, carbamazepine-saccharin (CBZ-SAC) and carbamazepine-salicylic acid (CBZ-SLC) under the influence of pH and micellar solubilization. A simple mathematical equation is derived based on the mass transport analyses to describe the dissolution advantage of cocrystals. The dissolution advantage is the ratio of the cocrystal flux to drug flux and is defined as the solubility advantage (cocrystal to drug solubility ratio) times the diffusivity advantage (cocrystal to drug diffusivity ratio). In this work, the effective diffusivity of CBZ in the presence of surfactant was determined to be different and less than those of the cocrystals. The higher effective diffusivity of drug from the dissolved cocrystals, the diffusivity advantage, can impart a dissolution advantage to cocrystals with lower solubility than the parent drug while still maintaining thermodynamic stability. Dissolution conditions where cocrystals can display both thermodynamic stability and a dissolution advantage can be obtained from the mass transport models, and this information is useful for both cocrystal selection and formulation development. Copyright © 2018 American Pharmacists Association®. Published by Elsevier Inc. All rights reserved.

[Key physical parameters of hawthorn leaf granules by stepwise regression analysis method].

PubMed

Jiang, Qie-Ying; Zeng, Rong-Gui; Li, Zhe; Luo, Juan; Zhao, Guo-Wei; Lv, Dan; Liao, Zheng-Gen

2017-05-01

The purpose of this study was to investigate the effect of key physical properties of hawthorn leaf granule on its dissolution behavior. Hawthorn leaves extract was utilized as a model drug. The extract was mixed with microcrystalline cellulose or starch with the same ratio by using different methods. Appropriate amount of lubricant and disintegrating agent was added into part of the mixed powder, and then the granules were prepared by using extrusion granulation and high shear granulation. The granules dissolution behavior was evaluated by using equilibrium dissolution quantity and dissolution rate constant of the hypericin as the indicators. Then the effect of physical properties on dissolution behavior was analyzed through the stepwise regression analysis method. The equilibrium dissolution quantity of hypericin and adsorption heat constant in hawthorn leaves were positively correlated with the monolayer adsorption capacity and negatively correlated with the moisture absorption rate constant. The dissolution rate constants were decreased with the increase of Hausner rate, monolayer adsorption capacity and adsorption heat constant, and were increased with the increase of Carr index and specific surface area. Adsorption heat constant, monolayer adsorption capacity, moisture absorption rate constant, Carr index and specific surface area were the key physical properties of hawthorn leaf granule to affect its dissolution behavior. Copyright© by the Chinese Pharmaceutical Association.

Development and validation of deterioration models for concrete bridge decks - phase 1 : artificial intelligence models and bridge management system.

DOT National Transportation Integrated Search

2013-06-01

This research documents the development and evaluation of artificial neural network (ANN) models to predict the condition ratings of concrete highway bridge decks in Michigan. Historical condition assessments chronicled in the national bridge invento...

An integrated system for dissolution studies and magnetic resonance imaging of controlled release, polymer-based dosage forms-a tool for quantitative assessment of hydrogel formation processes.

PubMed

Kulinowski, Piotr; Dorozyński, Przemysław; Jachowicz, Renata; Weglarz, Władysław P

2008-11-04

Controlled release (CR) dosage forms are often based on polymeric matrices, e.g., sustained-release tablets and capsules. It is crucial to visualise and quantify processes of the hydrogel formation during the standard dissolution study. A method for imaging of CR, polymer-based dosage forms during dissolution study in vitro is presented. Imaging was performed in a non-invasive way by means of the magnetic resonance imaging (MRI). This study was designed to simulate in vivo conditions regarding temperature, volume, state and composition of dissolution media. Two formulations of hydrodynamically balanced systems (HBS) were chosen as model CR dosage forms. HBS release active substance in stomach while floating on the surface of the gastric content. Time evolutions of the diffusion region, hydrogel formation region and "dry core" region were obtained during a dissolution study of L-dopa as a model drug in two simulated gastric fluids (i.e. in fed and fasted state). This method seems to be a very promising tool for examining properties of new formulations of CR, polymer-based dosage forms or for comparison of generic and originator dosage forms before carrying out bioequivalence studies.

In Situ Observation of Calcium Aluminate Inclusions Dissolution into Steelmaking Slag

NASA Astrophysics Data System (ADS)

Miao, Keyan; Haas, Alyssa; Sharma, Mukesh; Mu, Wangzhong; Dogan, Neslihan

2018-06-01

The dissolution rate of calcium aluminate inclusions in CaO-SiO2-Al2O3 slags has been studied using confocal scanning laser microscopy (CSLM) at elevated temperatures: 1773 K, 1823 K, and 1873 K (1500 °C, 1550 °C, and 1600 °C). The inclusion particles used in this experimental work were produced in our laboratory and their production technique is explained in detail. Even though the particles had irregular shapes, there was no rotation observed. Further, the total dissolution time decreased with increasing temperature and decreasing SiO2 content in the slag. The rate limiting steps are discussed in terms of shrinking core models and diffusion into a stagnant fluid model. It is shown that the rate limiting step for dissolution is mass transfer in the slag at 1823 K and 1873 K (1550 °C and 1600 °C). Further investigations are required to determine the dissolution mechanism at 1773 K (1500 °C). The calculated diffusion coefficients were inversely proportional to the slag viscosity and the obtained values for the systems studied ranged between 5.64 × 10-12 and 5.8 × 10-10 m2/s.

Determination of concrete cover thickness in a reinforced concrete pillar by observation of the scattered electromagnetic field

NASA Astrophysics Data System (ADS)

Di Gregorio, Pietro Paolo; Frezza, Fabrizio; Mangini, Fabio; Pajewski, Lara

2017-04-01

The electromagnetic scattered field by a reinforced concrete structure is calculated by means of frequency-domain numerical simulations and by making use of the scattered-field formulation. The concrete pillar, used as supporting architectural element, is modelled as a parallelepiped shell made of concrete material inside which are present steel bars. In order to make the model simpler, the steel bars are supposed running parallel to the air-pillar interface. To excite the model, a linearly-polarized plane wave impinging normally with respect to the pillars surface, is adopted. We consider two different polarizations in order to determine the most useful in terms of scattered-field sensitivity. Moreover, a preliminary frequency sweep allows us to choose the most suitable operating frequency depending on the dimensions of the pillar cross-section, the steel bars cross-section and the concrete cover. All the three components of the scattered field are monitored along a line just above the interface air-pillar. The electromagnetic properties of the materials employed in this study are present in the literature and, since a frequency-domain technique is adopted, no further approximation is needed. The results obtained for different values of the concrete cover are compared, with the goal of determining the scattered field dependence on the concrete cover thickness. Considering different concrete cover thicknesses, we want to provide an electromagnetic method to obtain this useful parameter by observation of the scattered electromagnetic field. One of the practical applications of this study in the field of Civil Engineering may be the use of ground penetrating radar (GPR) techniques to monitor the thickness of the concrete that separates the metal bars embedded in the pillar from the outer surface. A correct distance is useful because the concrete cover serves as a protection against external agents avoiding corrosion of the bars that might prejudice the reinforced concrete; it ensures also an optimal transmission and distribution of the adhesion forces in the pillar. Acknowledgement This work is a contribution to COST Action TU1208 "Civil Engineering Applications of Ground Penetrating Radar" (www.GPRadar.eu, www.cost.eu).

Development of a pore network simulation model to study nonaqueous phase liquid dissolution

USGS Publications Warehouse

Dillard, Leslie A.; Blunt, Martin J.

2000-01-01

A pore network simulation model was developed to investigate the fundamental physics of nonequilibrium nonaqueous phase liquid (NAPL) dissolution. The network model is a lattice of cubic chambers and rectangular tubes that represent pore bodies and pore throats, respectively. Experimental data obtained by Powers [1992] were used to develop and validate the model. To ensure the network model was representative of a real porous medium, the pore size distribution of the network was calibrated by matching simulated and experimental drainage and imbibition capillary pressure‐saturation curves. The predicted network residual styrene blob‐size distribution was nearly identical to the observed distribution. The network model reproduced the observed hydraulic conductivity and produced relative permeability curves that were representative of a poorly consolidated sand. Aqueous‐phase transport was represented by applying the equation for solute flux to the network tubes and solving for solute concentrations in the network chambers. Complete mixing was found to be an appropriate approximation for calculation of chamber concentrations. Mass transfer from NAPL blobs was represented using a corner diffusion model. Predicted results of solute concentration versus Peclet number and of modified Sherwood number versus Peclet number for the network model compare favorably with experimental data for the case in which NAPL blob dissolution was negligible. Predicted results of normalized effluent concentration versus pore volume for the network were similar to the experimental data for the case in which NAPL blob dissolution occurred with time.

Design Recommendations for Concrete Tunnel Linings : Volume II. Summary of Research and Proposed Recommendations.

DOT National Transportation Integrated Search

1983-11-01

The report presents design recommendations for concrete tunnel linings for transportation tunnels. The recommendations developed as a result of in-depth analysis and model testing of the behavior of concrete tunnel linings. The research addressed pro...

Assessing the service life of corrosion-deteriorated reinforced concrete member highway bridges in West Virginia.

DOT National Transportation Integrated Search

2014-09-01

Corrosion of steel-reinforced concrete bridges is a serious problem facing the WVDOT. This : paper provides an overview of techniques for evaluating the condition of reinforced concrete : bridge elements; methods for modeling the remaining service li...

A FUNCTIONAL RELATION FOR FIELD-SCALE NONAQUEOUS PHASE LIQUID DISSOLUTION DEVELOPED USING A PORE NETWORK MODEL. (R825689C080)

EPA Science Inventory

Abstract

A pore network model with cubic chambers and rectangular tubes was used to estimate the nonaqueous phase liquid (NAPL) dissolution rate coefficient, K_dissa_i, and NAPL/water total specific interfacial area, a_i

A FUNCTIONAL RELATION FOR FIELD-SCALE NONAQUEOUS PHASE LIQUID DISSOLUTION DEVELOPED USING A PORE NETWORK MODEL. (R825689C079)

EPA Science Inventory

Abstract

A pore network model with cubic chambers and rectangular tubes was used to estimate the nonaqueous phase liquid (NAPL) dissolution rate coefficient, K_dissa_i, and NAPL/water total specific interfacial area, a_i

A multiscale model for predicting the viscoelastic properties of asphalt concrete

NASA Astrophysics Data System (ADS)

Garcia Cucalon, Lorena; Rahmani, Eisa; Little, Dallas N.; Allen, David H.

2016-08-01

It is well known that the accurate prediction of long term performance of asphalt concrete pavement requires modeling to account for viscoelasticity within the mastic. However, accounting for viscoelasticity can be costly when the material properties are measured at the scale of asphalt concrete. This is due to the fact that the material testing protocols must be performed recursively for each mixture considered for use in the final design.

Behaviour of fibre reinforced polymer confined reinforced concrete columns under fire condition

NASA Astrophysics Data System (ADS)

Chowdhury, Ershad Ullah

In recent years, fibre reinforced polymer (FRP) materials have demonstrated enormous potential as materials for repairing and retrofitting concrete bridges that have deteriorated from factors such as electro-chemical corrosion and increased load requirements. However, concerns associated with fire remain an obstacle to applications of FRP materials in buildings and parking garages due to FRP's sensitivity to high temperatures as compared with other structural materials and to limited knowledge on their thermal and mechanical behaviour in fire. This thesis presents results from an ongoing study on the fire performance of FRP materials, fire insulation materials and systems, and FRP wrapped reinforced concrete columns. The overall goal of the study is to understand the fire behaviour of FRP materials and FRP strengthened concrete columns and ultimately, provide rational fire safety design recommendations and guidelines for FRP strengthened concrete columns. A combined experimental and numerical investigation was conducted to achieve the goals of this research study. The experimental work consisted of both small-scale FRP material testing at elevated temperatures and full-scale fire tests on FRP strengthened columns. A numerical model was developed to simulate the behaviour of unwrapped reinforced concrete and FRP strengthened reinforced concrete square or rectangular columns in fire. After validating the numerical model against test data available in literature, it was determined that the numerical model can be used to analyze the behaviour of concrete axial compressive members in fire. Results from this study also demonstrated that although FRP materials experience considerable loss of their mechanical and bond properties at temperatures somewhat below the glass transition temperature of the resin matrix, externally-bonded FRP can be used in strengthening concrete structural members in buildings, if appropriate supplemental fire protection system is provided over the FRP strengthening system.

Validation of mechanical models for reinforced concrete structures: Presentation of the French project ``Benchmark des Poutres de la Rance''

NASA Astrophysics Data System (ADS)

L'Hostis, V.; Brunet, C.; Poupard, O.; Petre-Lazar, I.

2006-11-01

Several ageing models are available for the prediction of the mechanical consequences of rebar corrosion. They are used for service life prediction of reinforced concrete structures. Concerning corrosion diagnosis of reinforced concrete, some Non Destructive Testing (NDT) tools have been developed, and have been in use for some years. However, these developments require validation on existing concrete structures. The French project “Benchmark des Poutres de la Rance” contributes to this aspect. It has two main objectives: (i) validation of mechanical models to estimate the influence of rebar corrosion on the load bearing capacity of a structure, (ii) qualification of the use of the NDT results to collect information on steel corrosion within reinforced-concrete structures. Ten French and European institutions from both academic research laboratories and industrial companies contributed during the years 2004 and 2005. This paper presents the project that was divided into several work packages: (i) the reinforced concrete beams were characterized from non-destructive testing tools, (ii) the mechanical behaviour of the beams was experimentally tested, (iii) complementary laboratory analysis were performed and (iv) finally numerical simulations results were compared to the experimental results obtained with the mechanical tests.

Finite element modelling of concrete beams reinforced with hybrid fiber reinforced bars

NASA Astrophysics Data System (ADS)

Smring, Santa binti; Salleh, Norhafizah; Hamid, NoorAzlina Abdul; Majid, Masni A.

2017-11-01

Concrete is a heterogeneous composite material made up of cement, sand, coarse aggregate and water mixed in a desired proportion to obtain the required strength. Plain concrete does not with stand tension as compared to compression. In order to compensate this drawback steel reinforcement are provided in concrete. Now a day, for improving the properties of concrete and also to take up tension combination of steel and glass fibre-reinforced polymer (GFRP) bars promises favourable strength, serviceability, and durability. To verify its promise and support design concrete structures with hybrid type of reinforcement, this study have investigated the load-deflection behaviour of concrete beams reinforced with hybrid GFRP and steel bars by using ATENA software. Fourteen beams, including six control beams reinforced with only steel or only GFRP bars, were analysed. The ratio and the ordinate of GFRP to steel were the main parameters investigated. The behaviour of these beams was investigated via the load-deflection characteristics, cracking behaviour and mode of failure. Hybrid GFRP-Steel reinforced concrete beam showed the improvement in both ultimate capacity and deflection concomitant to the steel reinforced concrete beam. On the other hand, finite element (FE) modelling which is ATENA were validated with previous experiment and promising the good result to be used for further analyses and development in the field of present study.

Bio resorbability of the modified hydroxyapatite in Tris-HCL buffer

NASA Astrophysics Data System (ADS)

Golovanova, O. A.; Izmailov, R. R.; Ghyngazov, S. A.

2016-02-01

The solubility of carbonated hydroxyapatite powders and granulated carbonated hydroxyapatite produced from the synovial biofluid model solution has been studied. The kinetic characteristics of dissolution were determined. It was found that the solubility of carbonated hydroxyapatite is higher as compared to that of hydroxyapatite. The impact of the organic matrix on the rate of sample dissolution was revealed. For HA-gelatin composites, as the gelatin concentration grows, the dissolution rate becomes greater, and a sample of 6.0 g / L concentration has higher resorbability. The results of the research can be used to study the kinetics of dissolution and the biocompatibility of ceramic materials for medicine, namely for reconstructive surgery, dentistry, and development of drug delivery systems.

Numerical simulation on behaviour of timber-concrete composite beams in fire

NASA Astrophysics Data System (ADS)

Du, Hao; Hu, Xiamin; Zhang, Bing; Minli, Yao

2017-08-01

This paper established sequentially coupled thermal-mechanical models of timber--concrete composite (TCC) beams by finite element software ANSYS to investigate the fire resistance of TCC beam. Existing experimental results were used to verify the coupled thermal-mechanical model. The influencing parameters consisted of the width of timber beam, the thickness of the concrete slab and the timber board. Based on the numerical results, the effects of these parameters on fire resistance of TCC beams were investigated in detail. The results showed that modeling results agreed well with test results, and verified the reliability of the finite element model. The width of the timber beam had a significant influence on the fire resistance of TCC beams. The fire resistance of TCC beams would be enhanced by increasing the width of timber beam, the thickness of concrete slab and the timber board.

Analysis of the connection of the timber-fiber concrete composite structure

NASA Astrophysics Data System (ADS)

Holý, Milan; Vráblík, Lukáš; Petřík, Vojtěch

2017-09-01

This paper deals with an implementation of the material parameters of the connection to complex models for analysis of the timber-fiber concrete composite structures. The aim of this article is to present a possible way of idealization of the continuous contact model that approximates the actual behavior of timber-fiber reinforced concrete structures. The presented model of the connection was derived from push-out shear tests. It was approved by use of the nonlinear numerical analysis, that it can be achieved a very good compliance between results of numerical simulations and results of the experiments by a suitable choice of the material parameters of the continuous contact. Finally, an application for an analytical calculation of timber-fiber concrete composite structures is developed for the practical use in engineering praxis. The input material parameters for the analytical model was received using data from experiments.

The dissolution of quartz in dilute aqueous solutions of organic acids at 25°C

USGS Publications Warehouse

Bennett, P.C.; Melcer, M.E.; Siegel, D.I.; Hassett, J.P.

1988-01-01

The dissolution of quartz in dilute aqueous solutions of organic acids at 25° and standard pressure was investigated by the batch dissolution method. The bulk dissolution rate of quartz in 20 mmole/Kg citrate solutions at pH 7 was 8 to 10 times faster than that in pure water. After 1750 hours the concentration of dissolved silica in the citrate solution was 167 μmole/Kg compared to 50 μmole/Kg in water and a 20 mmole/Kg solution of acetate at pH 7. Solutions of salicylic, oxalic, and humic acids also accelerated the dissolution of quartz in aqueous solution at pH 7. The rate of dissolution in organic acids decreased sharply with decreasing pH.The possibility of a silica-organic acid complex was investigated using UV-difference spectroscopy. Results suggest that dissolved silica is complexed by citrate, oxalate and pyruvate at pH 7 by an electron-donor acceptor complex, whereas no complexation occurs between silica and acetate, lactate, malonate, or succinate. Three models are proposed for the solution and surface complexation of silica by organic acid anions which result in the accelerated dissolution and increased solubility of quartz in organic rich water.

Theoretical study of the dissolution kinetics of galena and cerussite in an abandoned mining area (Zaida mine, Morocco)

NASA Astrophysics Data System (ADS)

El Alaoui, Lamiae; Dekayir, Abdelilah

2018-05-01

In the abandoned mine in Zaida, the pit lakes filled with water constitute significant water reserves. In these lakes, the waters are permanently in contact with ore deposit (cerussite and galena). The modelling of the interaction of waters with this mineralization shows that cerussite dissolves more rapidly than galena. This dissolution is controlled by the pH and dissolved oxygen concentration in solution. The lead concentrations recorded in these lakes come largely from the dissolution of cerussite.

Concrete Masonry Designs: Educational Issue.

ERIC Educational Resources Information Center

Hertzberg, Randi, Ed.

2001-01-01

This special journal issue addresses concrete masonry in educational facilities construction. The issue's feature articles are: (1) "It Takes a Village To Construct a Massachusetts Middle School," describing a middle school constructed almost entirely of concrete masonry and modeled after a typical small New England village; (2)…

Simplified contaminant source depletion models as analogs of multiphase simulators

NASA Astrophysics Data System (ADS)

Basu, Nandita B.; Fure, Adrian D.; Jawitz, James W.

2008-04-01

Four simplified dense non-aqueous phase liquid (DNAPL) source depletion models recently introduced in the literature are evaluated for the prediction of long-term effects of source depletion under natural gradient flow. These models are simple in form (a power function equation is an example) but are shown here to serve as mathematical analogs to complex multiphase flow and transport simulators. The spill and subsequent dissolution of DNAPLs was simulated in domains having different hydrologic characteristics (variance of the log conductivity field = 0.2, 1 and 3) using the multiphase flow and transport simulator UTCHEM. The dissolution profiles were fitted using four analytical models: the equilibrium streamtube model (ESM), the advection dispersion model (ADM), the power law model (PLM) and the Damkohler number model (DaM). All four models, though very different in their conceptualization, include two basic parameters that describe the mean DNAPL mass and the joint variability in the velocity and DNAPL distributions. The variability parameter was observed to be strongly correlated with the variance of the log conductivity field in the ESM and ADM but weakly correlated in the PLM and DaM. The DaM also includes a third parameter that describes the effect of rate-limited dissolution, but here this parameter was held constant as the numerical simulations were found to be insensitive to local-scale mass transfer. All four models were able to emulate the characteristics of the dissolution profiles generated from the complex numerical simulator, but the one-parameter PLM fits were the poorest, especially for the low heterogeneity case.

Simplified contaminant source depletion models as analogs of multiphase simulators.

PubMed

Basu, Nandita B; Fure, Adrian D; Jawitz, James W

2008-04-28

Four simplified dense non-aqueous phase liquid (DNAPL) source depletion models recently introduced in the literature are evaluated for the prediction of long-term effects of source depletion under natural gradient flow. These models are simple in form (a power function equation is an example) but are shown here to serve as mathematical analogs to complex multiphase flow and transport simulators. The spill and subsequent dissolution of DNAPLs was simulated in domains having different hydrologic characteristics (variance of the log conductivity field=0.2, 1 and 3) using the multiphase flow and transport simulator UTCHEM. The dissolution profiles were fitted using four analytical models: the equilibrium streamtube model (ESM), the advection dispersion model (ADM), the power law model (PLM) and the Damkohler number model (DaM). All four models, though very different in their conceptualization, include two basic parameters that describe the mean DNAPL mass and the joint variability in the velocity and DNAPL distributions. The variability parameter was observed to be strongly correlated with the variance of the log conductivity field in the ESM and ADM but weakly correlated in the PLM and DaM. The DaM also includes a third parameter that describes the effect of rate-limited dissolution, but here this parameter was held constant as the numerical simulations were found to be insensitive to local-scale mass transfer. All four models were able to emulate the characteristics of the dissolution profiles generated from the complex numerical simulator, but the one-parameter PLM fits were the poorest, especially for the low heterogeneity case.

Wireless Concrete Strength Monitoring of Wind Turbine Foundations.

PubMed

Perry, Marcus; Fusiek, Grzegorz; Niewczas, Pawel; Rubert, Tim; McAlorum, Jack

2017-12-16

Wind turbine foundations are typically cast in place, leaving the concrete to mature under environmental conditions that vary in time and space. As a result, there is uncertainty around the concrete's initial performance, and this can encourage both costly over-design and inaccurate prognoses of structural health. Here, we demonstrate the field application of a dense, wireless thermocouple network to monitor the strength development of an onshore, reinforced-concrete wind turbine foundation. Up-to-date methods in fly ash concrete strength and maturity modelling are used to estimate the distribution and evolution of foundation strength over 29 days of curing. Strength estimates are verified by core samples, extracted from the foundation base. In addition, an artificial neural network, trained using temperature data, is exploited to demonstrate that distributed concrete strengths can be estimated for foundations using only sparse thermocouple data. Our techniques provide a practical alternative to computational models, and could assist site operators in making more informed decisions about foundation design, construction, operation and maintenance.

Sensitivity analysis of free vibration characteristics of an in situ railway concrete sleeper to variations of rail pad parameters

NASA Astrophysics Data System (ADS)

Kaewunruen, Sakdirat; Remennikov, Alex M.

2006-11-01

The vibration of in situ concrete sleepers in a railway track structure is a major factor causing cracking of prestressed concrete sleepers and excessive railway track maintenance cost. Not only does the ballast interact with the sleepers, but the rail pads also take part in affecting their free vibration characteristics. This paper presents a sensitivity analysis of free vibration behaviors of an in situ railway concrete sleeper (standard gauge sleeper), incorporating sleeper/ballast interaction, subjected to the variations of rail pad properties. Through finite element analysis, Timoshenko-beam and spring elements were used in the in situ railway concrete sleeper modeling. This model highlights the influence of rail pad parameters on the free vibration characteristics of in situ sleepers. In addition, information on the first five flexural vibration modes indicates the dynamic performance of railway track when using different types of rail pads, as it plays a vital role in the cracking deterioration of concrete sleepers.

Multiscale Constitutive Modeling of Asphalt Concrete

NASA Astrophysics Data System (ADS)

Underwood, Benjamin Shane

Multiscale modeling of asphalt concrete has become a popular technique for gaining improved insight into the physical mechanisms that affect the material's behavior and ultimately its performance. This type of modeling considers asphalt concrete, not as a homogeneous mass, but rather as an assemblage of materials at different characteristic length scales. For proper modeling these characteristic scales should be functionally definable and should have known properties. Thus far, research in this area has not focused significant attention on functionally defining what the characteristic scales within asphalt concrete should be. Instead, many have made assumptions on the characteristic scales and even the characteristic behaviors of these scales with little to no support. This research addresses these shortcomings by directly evaluating the microstructure of the material and uses these results to create materials of different characteristic length scales as they exist within the asphalt concrete mixture. The objectives of this work are to; 1) develop mechanistic models for the linear viscoelastic (LVE) and damage behaviors in asphalt concrete at different length scales and 2) develop a mechanistic, mechanistic/empirical, or phenomenological formulation to link the different length scales into a model capable of predicting the effects of microstructural changes on the linear viscoelastic behaviors of asphalt concrete mixture, e.g., a microstructure association model for asphalt concrete mixture. Through the microstructural study it is found that asphalt concrete mixture can be considered as a build-up of three different phases; asphalt mastic, fine aggregate matrix (FAM), and finally the coarse aggregate particles. The asphalt mastic is found to exist as a homogenous material throughout the mixture and FAM, and the filler content within this material is consistent with the volumetric averaged concentration, which can be calculated from the job mix formula. It is also found that the maximum aggregate size of the FAM is mixture dependent, but consistent with a gradation parameter from the Baily Method of mixture design. Mechanistic modeling of these different length scales reveals that although many consider asphalt concrete to be a LVE material, it is in fact only quasi-LVE because it shows some tendencies that are inconsistent with LVE theory. Asphalt FAM and asphalt mastic show similar nonlinear tendencies although the exact magnitude of the effect differs. These tendencies can be ignored for damage modeling in the mixture and FAM scales as long as the effects are consistently ignored, but it is found that they must be accounted for in mastic and binder damage modeling. The viscoelastic continuum damage (VECD) model is used for damage modeling in this research. To aid in characterization and application of the VECD model for cyclic testing, a simplified version (S-VECD) is rigorously derived and verified. Through the modeling efforts at each scale, various factors affecting the fundamental and engineering properties at each scale are observed and documented. A microstructure association model that accounts for particle interaction through physico-chemical processes and the effects of aggregate structuralization is developed to links the moduli at each scale. This model is shown to be capable of upscaling the mixture modulus from either the experimentally determined mastic modulus or FAM modulus. Finally, an initial attempt at upscaling the damage and nonlinearity phenomenon is shown.

Process-based modeling of silicate mineral weathering responses to increasing atmospheric CO2 and climate change

NASA Astrophysics Data System (ADS)

Banwart, Steven A.; Berg, Astrid; Beerling, David J.

2009-12-01

A mathematical model describes silicate mineral weathering processes in modern soils located in the boreal coniferous region of northern Europe. The process model results demonstrate a stabilizing biological feedback mechanism between atmospheric CO2 levels and silicate weathering rates as is generally postulated for atmospheric evolution. The process model feedback response agrees within a factor of 2 of that calculated by a weathering feedback function of the type generally employed in global geochemical carbon cycle models of the Earth's Phanerozoic CO2 history. Sensitivity analysis of parameter values in the process model provides insight into the key mechanisms that influence the strength of the biological feedback to weathering. First, the process model accounts for the alkalinity released by weathering, whereby its acceleration stabilizes pH at values that are higher than expected. Although the process model yields faster weathering with increasing temperature, because of activation energy effects on mineral dissolution kinetics at warmer temperature, the mineral dissolution rate laws utilized in the process model also result in lower dissolution rates at higher pH values. Hence, as dissolution rates increase under warmer conditions, more alkalinity is released by the weathering reaction, helping maintain higher pH values thus stabilizing the weathering rate. Second, the process model yields a relatively low sensitivity of soil pH to increasing plant productivity. This is due to more rapid decomposition of dissolved organic carbon (DOC) under warmer conditions. Because DOC fluxes strongly influence the soil water proton balance and pH, this increased decomposition rate dampens the feedback between productivity and weathering. The process model is most sensitive to parameters reflecting soil structure; depth, porosity, and water content. This suggests that the role of biota to influence these characteristics of the weathering profile is as important, if not more important, than the role of biota to influence mineral dissolution rates through changes in soil water chemistry. This process-modeling approach to quantify the biological weathering feedback to atmospheric CO2 demonstrates the potential for a far more mechanistic description of weathering feedback in simulations of the global geochemical carbon cycle.

Incinerator ash dissolution model for the system: Plutonium, nitric acid and hydrofluoric acid

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, E V

1988-06-01

This research accomplished two goals. The first was to develop a computer program to simulate a cascade dissolver system. This program would be used to predict the bulk rate of dissolution in incinerator ash. The other goal was to verify the model in a single-stage dissolver system using Dy/sub 2/O/sub 3/. PuO/sub 2/ (and all of the species in the incinerator ash) was assumed to exist as spherical particles. A model was used to calculate the bulk rate of plutonium oxide dissolution using fluoride as a catalyst. Once the bulk rate of PuO/sub 2/ dissolution and the dissolution rate ofmore » all soluble species were calculated, mass and energy balances were written. A computer program simulating the cascade dissolver system was then developed. Tests were conducted on a single-stage dissolver. A simulated incinerator ash mixture was made and added to the dissolver. CaF/sub 2/ was added to the mixture as a catalyst. A 9M HNO/sub 3/ solution was pumped into the dissolver system. Samples of the dissolver effluent were analyzed for dissolved and F concentrations. The computer program proved satisfactory in predicting the F concentrations in the dissolver effluent. The experimental sparge air flow rate was predicted to within 5.5%. The experimental percentage of solids dissolved (51.34%) compared favorably to the percentage of incinerator ash dissolved (47%) in previous work. No general conclusions on model verification could be reached. 56 refs., 11 figs., 24 tabs.« less

Accuracy analysis of point cloud modeling for evaluating concrete specimens

NASA Astrophysics Data System (ADS)

D'Amico, Nicolas; Yu, Tzuyang

2017-04-01

Photogrammetric methods such as structure from motion (SFM) have the capability to acquire accurate information about geometric features, surface cracks, and mechanical properties of specimens and structures in civil engineering. Conventional approaches to verify the accuracy in photogrammetric models usually require the use of other optical techniques such as LiDAR. In this paper, geometric accuracy of photogrammetric modeling is investigated by studying the effects of number of photos, radius of curvature, and point cloud density (PCD) on estimated lengths, areas, volumes, and different stress states of concrete cylinders and panels. Four plain concrete cylinders and two plain mortar panels were used for the study. A commercially available mobile phone camera was used in collecting all photographs. Agisoft PhotoScan software was applied in photogrammetric modeling of all concrete specimens. From our results, it was found that the increase of number of photos does not necessarily improve the geometric accuracy of point cloud models (PCM). It was also found that the effect of radius of curvature is not significant when compared with the ones of number of photos and PCD. A PCD threshold of 15.7194 pts/cm3 is proposed to construct reliable and accurate PCM for condition assessment. At this PCD threshold, all errors for estimating lengths, areas, and volumes were less than 5%. Finally, from the study of mechanical property of a plain concrete cylinder, we have found that the increase of stress level inside the concrete cylinder can be captured by the increase of radial strain in its PCM.

Dynamic Pore-Scale Imaging of Reactive Transport in Heterogeneous Carbonates at Reservior Conditions

NASA Astrophysics Data System (ADS)

Menke, Hannah; Bijeljic, Branko; Andrew, Matthew; Blunt, Martin

2014-05-01

Sequestering carbon in deep geologic formations is one way of reducing anthropogenic CO2 emissions. Carbon capture, Utilization, and Storage (CCUS) in carbonate reservoirs has the added benefit of mobilizing more oil for extraction, increasing oil reservoir yield, and generating revenue while also mitigating climate change. The magnitude, speed, and type of dissolution are dependent the intrinsic properties of the rock. Understanding how small changes in the pore structure affect dissolution is paramount for successful predictive modelling both on the pore-scale and for up-scaled reservoir simulations. We propose an experimental method whereby both 'Pink Beam' synchrotron radiation and a Micro-CT lab source are used in dynamic X-ray microtomography to investigate the pore structure changes in carbonate rocks of varying heterogeneity at high temperatures and pressures. Four carbonate rock types were studied, two relatively homogeneous carbonates, Ketton and Mt. Gambier, and two very heterogeneous carbonates, Estalliades and Portland Basebed. Each rock type was imaged under the same reservoir and flow conditions to gain insight into the impact of heterogeneity. A 4-mm carbonate core was injected with CO2-saturated brine at 10 MPa and 50oC for 2 hours. Depending on sample heterogeneity and X-ray source, tomographic images were taken at between 30-second and 20-minute time-resolutions and a 4-micron spatial resolution during injection. Changes in porosity, permeability, and structure were obtained by first binning and filtering the images, then binarizing them with watershed segmentation, and finally extracting a pore/throat network. Furthermore, pore-scale flow modelling was performed directly on the binarized image and used to track velocity distributions as the pore network evolved. Significant differences in dissolution type and magnitude were found for each rock type. The most homogeneous carbonate, Ketton, was seen to have predominately uniform dissolution with minor dissolution rate differences between the pores and pore throats. This was not true for the heterogeneous carbonates, Estalliades and Portland Basebed, which formed wormholes. Pore-scale modelling of flow directly on the voxels showed the differences in the evolution of complex flow fields with changes in dissolution regime. The PDFs of normalized velocity for uniform dissolution showed that the maximum pore velocity within the system decreased as dissolution occurred. This is due to dissolution enlarging pores and pore throats. However, in the wormholing regime, there was a large increase in maximum velocity once the wormhole broke through the length of the core and a preferential flow path was created. Additionally, this study serves as a unique benchmark for pore-scale reactive transport modelling directly on the binarized Micro-CT images. This dynamic pore-scale imaging method offers advantages in helping fully explain the dominant physical and chemical processes at the pore scale so that they may be up-scaled to the reservoir scale for increased accuracy in model prediction.

Blast Design of Reinforced Concrete and Masonry Components Retrofitted with FRP

DTIC Science & Technology

2010-07-01

1 BLAST DESIGN OF REINFORCED CONCRETE AND MASONRY COMPONENTS RETROFITTED WITH FRP Marlon L. Bazan, Ph.D. and Charles J. Oswald, P.E., Ph.D...as an alternative to traditional methods for strengthening and retrofitting concrete and masonry structures to resist blast loads. The development...and experimental validation of a methodology for modeling the response of blast loaded concrete and masonry structural components retrofitted with FRP

Modeling of fracture of protective concrete structures under impact loads

NASA Astrophysics Data System (ADS)

Radchenko, P. A.; Batuev, S. P.; Radchenko, A. V.; Plevkov, V. S.

2015-10-01

This paper presents results of numerical simulation of interaction between a Boeing 747-400 aircraft and the protective shell of a nuclear power plant. The shell is presented as a complex multilayered cellular structure consisting of layers of concrete and fiber concrete bonded with steel trusses. Numerical simulation was performed three-dimensionally using the original algorithm and software taking into account algorithms for building grids of complex geometric objects and parallel computations. Dynamics of the stress-strain state and fracture of the structure were studied. Destruction is described using a two-stage model that allows taking into account anisotropy of elastic and strength properties of concrete and fiber concrete. It is shown that wave processes initiate destruction of the cellular shell structure; cells start to destruct in an unloading wave originating after the compression wave arrival at free cell surfaces.

Biomimetic Dissolution: A Tool to Predict Amorphous Solid Dispersion Performance.

PubMed

Puppolo, Michael M; Hughey, Justin R; Dillon, Traciann; Storey, David; Jansen-Varnum, Susan

2017-11-01

The presented study describes the development of a membrane permeation non-sink dissolution method that can provide analysis of complete drug speciation and emulate the in vivo performance of poorly water-soluble Biopharmaceutical Classification System class II compounds. The designed membrane permeation methodology permits evaluation of free/dissolved/unbound drug from amorphous solid dispersion formulations with the use of a two-cell apparatus, biorelevant dissolution media, and a biomimetic polymer membrane. It offers insight into oral drug dissolution, permeation, and absorption. Amorphous solid dispersions of felodipine were prepared by hot melt extrusion and spray drying techniques and evaluated for in vitro performance. Prior to ranking performance of extruded and spray-dried felodipine solid dispersions, optimization of the dissolution methodology was performed for parameters such as agitation rate, membrane type, and membrane pore size. The particle size and zeta potential were analyzed during dissolution experiments to understand drug/polymer speciation and supersaturation sustainment of felodipine solid dispersions. Bland-Altman analysis was performed to measure the agreement or equivalence between dissolution profiles acquired using polymer membranes and porcine intestines and to establish the biomimetic nature of the treated polymer membranes. The utility of the membrane permeation dissolution methodology is seen during the evaluation of felodipine solid dispersions produced by spray drying and hot melt extrusion. The membrane permeation dissolution methodology can suggest formulation performance and be employed as a screening tool for selection of candidates to move forward to pharmacokinetic studies. Furthermore, the presented model is a cost-effective technique.

Variation in Supersaturation and Phase Behavior of Ezetimibe Amorphous Solid Dispersions upon Dissolution in Different Biorelevant Media.

PubMed

Elkhabaz, Ahmed; Sarkar, Sreya; Dinh, Janny K; Simpson, Garth J; Taylor, Lynne S

2018-01-02

The delivery of poorly water-soluble drugs using amorphous solid dispersions (ASDs) has been widely acknowledged as a promising strategy for enhancing oral bioavailability. Upon dissolution, ASDs have accelerated dissolution rates and yield supersaturated solutions leading to higher apparent solubilities. Understanding the complex phase behavior of ASDs during dissolution is crucial for developing an effective formulation. Since the absorption of a lipophilic, high permeability drug is determined primarily by the intraluminal dissolution process and the final concentration achieved, there is a need for evaluation in biorelevant dissolution media that simulate both fasting and fed gastrointestinal states. In this study, using ezetimibe as a model drug, three different ASDs were prepared using poly(acrylic acid) (PAA), polyvinylpyrrolidone (PVP), and hydroxypropyl methylcellulose acetyl succinate (HPMC-AS). Dissolution of ASDs was carried out in sodium phosphate buffer, fed-state simulated intestinal fluid (FeSSIF), and Ensure Plus to evaluate the impact of different dissolution media on release profile, supersaturation, and phase behavior. The supersaturation level and crystallization kinetics varied among the dispersions and were found to be highly dependent on the medium employed. The presence of solubilizing additives in biorelevant media greatly affected the generation and stabilization of supersaturated solutions. Second harmonic generation microscopy was found to enable the detection of crystals in all media including the highly turbid Ensure Plus system. In conclusion, it is important to evaluate the impact of complex biorelevant media on the dissolution performance of ASDs to better design supersaturating formulations for oral delivery.

Feasibility of Using Gluconolactone, Trehalose and Hydroxy-Propyl Gamma Cyclodextrin to Enhance Bendroflumethiazide Dissolution Using Lyophilisation and Physical Mixing Techniques.

PubMed

Saleh, Ashraf; McGarry, Kenneth; Chaw, Cheng Shu; Elkordy, Amal Ali

2018-02-01

Hydrophobic drugs are facing a major challenge in dissolution rate enhancement and solubility in aqueous solutions; therefore, a variety of methods have been used to improve dissolution rate and/or solubility of bendroflumethiazide as a model hydrophobic drug. In this study, two main methods (physical mixing and lyophilisation) were used with gluconolactone, hydroxyl propyl γ-ccyclodextrin, and trehalose to explore this challenge. Bendroflumethiazide, practically insoluble in water, was mixed with one of the three excipients gluconolactone, hydroxyl propyl γ-cyclodextrin, and trehalose in three different ratios 1:1, 1:2, 1:5. To the best of our knowledge, the dissolution of the drug has not been previously enhanced by using either these methods or any of the used excipients. Samples containing drug and each of the excipients were characterized via dissolution testing, Fourier Transform infra-red spectroscopy, differential scanning calorimetry, and scanning electron microscopy. The used methods showed a significant enhancement in dug dissolution rate; physical mixing significantly, p < 0.05, increased the percentage of the drug released with time; for example, bendroflumethiazide dissolution in distilled water was improved from less than 20% to 99.79% within 90 min for physically mixed drug-cyclodextrin 1:5. The lyophilisation process was enhanced and the drug dissolution rate and the highest drug dissolution was achieved for (drug-gluconolactone 1:1) with 98.98% drug release within 90 min. the physical mixing and freeze drying processes significantly increased the percentage of drug release with time.

APTES-modified mesoporous silicas as the carriers for poorly water-soluble drug. Modeling of diflunisal adsorption and release

NASA Astrophysics Data System (ADS)

Geszke-Moritz, Małgorzata; Moritz, Michał

2016-04-01

Four mesoporous siliceous materials such as SBA-16, SBA-15, PHTS and MCF functionalized with (3-aminopropyl)triethoxysilane were successfully prepared and applied as the carriers for poorly water-soluble drug diflunisal. Several techniques including nitrogen sorption analysis, XRD, TEM, FTIR and thermogravimetric analysis were employed to characterize mesoporous matrices. Adsorption isotherms were analyzed using Langmuir, Freundlich, Temkin and Dubinin-Radushkevich models. In order to find the best-fit isotherm for each model, both linear and nonlinear regressions were carried out. The equilibrium data were best fitted by the Langmuir isotherm model revealing maximum adsorption capacity of 217.4 mg/g for aminopropyl group-modified SBA-15. The negative values of Gibbs free energy change indicated that the adsorption of diflunisal is a spontaneous process. Weibull release model was employed to describe the dissolution profile of diflunisal. At pH 4.5 all prepared mesoporous matrices exhibited the improvement of drug dissolution kinetics as compared to the dissolution rate of pure diflunisal.

Fracture Mechanics Modelling of an In Situ Concrete Spalling Experiment

NASA Astrophysics Data System (ADS)

Siren, Topias; Uotinen, Lauri; Rinne, Mikael; Shen, Baotang

2015-07-01

During the operation of nuclear waste disposal facilities, some sprayed concrete reinforced underground spaces will be in use for approximately 100 years. During this time of use, the local stress regime will be altered by the radioactive decay heat. The change in the stress state will impose high demands on sprayed concrete, as it may suffer stress damage or lose its adhesion to the rock surface. It is also unclear what kind of support pressure the sprayed concrete layer will apply to the rock. To investigate this, an in situ experiment is planned in the ONKALO underground rock characterization facility at Olkiluoto, Finland. A vertical experimental hole will be concreted, and the surrounding rock mass will be instrumented with heat sources, in order to simulate an increase in the surrounding stress field. The experiment is instrumented with an acoustic emission system for the observation of rock failure and temperature, as well as strain gauges to observe the thermo-mechanical interactive behaviour of the concrete and rock at several levels, in both rock and concrete. A thermo-mechanical fracture mechanics study is necessary for the prediction of the damage before the experiment, in order to plan the experiment and instrumentation, and for generating a proper prediction/outcome study due to the special nature of the in situ experiment. The prediction of acoustic emission patterns is made by Fracod 2D and the model later compared to the actual observed acoustic emissions. The fracture mechanics model will be compared to a COMSOL Multiphysics 3D model to study the geometrical effects along the hole axis.

Aggregate Effect on the Concrete Cone Capacity of an Undercut Anchor under Quasi-Static Tensile Load

PubMed Central

Marcon, Marco; Ninčević, Krešimir; Boumakis, Ioannis; Czernuschka, Lisa-Marie

2018-01-01

In the last decades, fastening systems have become an essential part of the construction industry. Post-installed mechanical anchors are frequently used in concrete members to connect them with other load bearing structural members, or to attach appliances. Their performance is limited by the concrete related failure modes which are highly influenced by the concrete mix design. This paper aims at investigating the effect that different aggregates used in the concrete mix have on the capacity of an undercut anchor under tensile quasi-static loading. Three concrete batches were cast utilising three different aggregate types. For two concrete ages (28 and 70 days), anchor tensile capacity and concrete properties were obtained. Concrete compressive strength, fracture energy and elastic modulus are used to normalize and compare the undercut anchor concrete tensile capacity employing some of the most widely used prediction models. For a more insightful comparison, a statistical method that yields also scatter information is introduced. Finally, the height and shape of the concrete cones are compared by highly precise and objective photogrammetric means. PMID:29723972

Aggregate Effect on the Concrete Cone Capacity of an Undercut Anchor under Quasi-Static Tensile Load.

PubMed

Marcon, Marco; Ninčević, Krešimir; Boumakis, Ioannis; Czernuschka, Lisa-Marie; Wan-Wendner, Roman

2018-05-01

In the last decades, fastening systems have become an essential part of the construction industry. Post-installed mechanical anchors are frequently used in concrete members to connect them with other load bearing structural members, or to attach appliances. Their performance is limited by the concrete related failure modes which are highly influenced by the concrete mix design. This paper aims at investigating the effect that different aggregates used in the concrete mix have on the capacity of an undercut anchor under tensile quasi-static loading. Three concrete batches were cast utilising three different aggregate types. For two concrete ages (28 and 70 days), anchor tensile capacity and concrete properties were obtained. Concrete compressive strength, fracture energy and elastic modulus are used to normalize and compare the undercut anchor concrete tensile capacity employing some of the most widely used prediction models. For a more insightful comparison, a statistical method that yields also scatter information is introduced. Finally, the height and shape of the concrete cones are compared by highly precise and objective photogrammetric means.

Smart Crack Control in Concrete through Use of Phase Change Materials (PCMs): A Review

PubMed Central

2018-01-01

Cracks in concrete structures present a threat to their durability. Therefore, numerous research studies have been devoted to reducing concrete cracking. In recent years, a new approach has been proposed for controlling temperature related cracking—utilization of phase change materials (PCMs) in concrete. Through their ability to capture heat, PCMs can offset temperature changes and reduce gradients in concrete structures. Nevertheless, they can also influence concrete properties. This paper presents a comprehensive overview of the literature devoted to using PCMs to control temperature related cracking in concrete. First, types of PCMs and ways of incorporation in concrete are discussed. Then, possible uses of PCMs in concrete technology are discussed. Further, the influences of PCMs on concrete properties (fresh, hardened, durability) are discussed in detail. This is followed by a discussion of modelling techniques for PCM-concrete composites and their performance. Finally, a summary and the possible research directions for future work are given. This overview aims to assure the researchers and asset owners of the potential of this maturing technology and bring it one step closer to practical application. PMID:29695076

Smart Crack Control in Concrete through Use of Phase Change Materials (PCMs): A Review.

PubMed

Šavija, Branko

2018-04-24

Cracks in concrete structures present a threat to their durability. Therefore, numerous research studies have been devoted to reducing concrete cracking. In recent years, a new approach has been proposed for controlling temperature related cracking—utilization of phase change materials (PCMs) in concrete. Through their ability to capture heat, PCMs can offset temperature changes and reduce gradients in concrete structures. Nevertheless, they can also influence concrete properties. This paper presents a comprehensive overview of the literature devoted to using PCMs to control temperature related cracking in concrete. First, types of PCMs and ways of incorporation in concrete are discussed. Then, possible uses of PCMs in concrete technology are discussed. Further, the influences of PCMs on concrete properties (fresh, hardened, durability) are discussed in detail. This is followed by a discussion of modelling techniques for PCM-concrete composites and their performance. Finally, a summary and the possible research directions for future work are given. This overview aims to assure the researchers and asset owners of the potential of this maturing technology and bring it one step closer to practical application.

Solubility prediction of naphthalene in carbon dioxide from crystal microstructure

NASA Astrophysics Data System (ADS)

Sang, Jiarong; Jin, Junsu; Mi, Jianguo

2018-03-01

Crystals dissolved in solvents are ubiquitous in both natural and artificial systems. Due to the complicated structures and asymmetric interactions between the crystal and solvent, it is difficult to interpret the dissolution mechanism and predict solubility using traditional theories and models. Here we use the classical density functional theory (DFT) to describe the crystal dissolution behavior. As an example, naphthalene dissolved in carbon dioxide (CO2) is considered within the DFT framework. The unit cell dimensions and microstructure of crystalline naphthalene are determined by minimizing the free-energy of the crystal. According to the microstructure, the solubilities of naphthalene in CO2 are predicted based on the equality of naphthalene's chemical potential in crystal and solution phases, and the interfacial structures and free-energies between different crystal planes and solution are determined to investigate the dissolution mechanism at the molecular level. The theoretical predictions are in general agreement with the available experimental data, implying that the present model is quantitatively reliable in describing crystal dissolution.

Microscopic modeling of confined crystal growth and dissolution.

PubMed

Høgberget, Jørgen; Røyne, Anja; Dysthe, Dag K; Jettestuen, Espen

2016-08-01

We extend the (1+1)-dimensional fluid solid-on-solid (SOS) model to include a confining flat surface opposite to the SOS surface subject to a constant load. This load is balanced by a repulsive surface-surface interaction given by an ansatz which agrees with known analytical solutions in the limit of two separated flat surfaces. Mechanical equilibrium is imposed at all times by repositioning the confining surface. By the use of kinetic Monte Carlo (KMC) we calculate how the equilibrium concentration (deposition rate) depends on the applied load, and find it to reproduce analytical thermodynamics independent of the parameters of the interaction ansatz. We also study the dependency between the surface roughness and the saturation level as we vary the surface tension, and expand on previous analyses of the asymmetry between growth and dissolution by parametrizing the linear growth rate constant for growth and dissolution separately. We find the presence of a confining surface to affect the speed of growth and dissolution equally.

Dissolution curve comparisons through the F(2) parameter, a Bayesian extension of the f(2) statistic.

PubMed

Novick, Steven; Shen, Yan; Yang, Harry; Peterson, John; LeBlond, Dave; Altan, Stan

2015-01-01

Dissolution (or in vitro release) studies constitute an important aspect of pharmaceutical drug development. One important use of such studies is for justifying a biowaiver for post-approval changes which requires establishing equivalence between the new and old product. We propose a statistically rigorous modeling approach for this purpose based on the estimation of what we refer to as the F2 parameter, an extension of the commonly used f2 statistic. A Bayesian test procedure is proposed in relation to a set of composite hypotheses that capture the similarity requirement on the absolute mean differences between test and reference dissolution profiles. Several examples are provided to illustrate the application. Results of our simulation study comparing the performance of f2 and the proposed method show that our Bayesian approach is comparable to or in many cases superior to the f2 statistic as a decision rule. Further useful extensions of the method, such as the use of continuous-time dissolution modeling, are considered.

Microscopic modeling of confined crystal growth and dissolution

NASA Astrophysics Data System (ADS)

Høgberget, Jørgen; Røyne, Anja; Dysthe, Dag K.; Jettestuen, Espen

2016-08-01

We extend the (1+1)-dimensional fluid solid-on-solid (SOS) model to include a confining flat surface opposite to the SOS surface subject to a constant load. This load is balanced by a repulsive surface-surface interaction given by an ansatz which agrees with known analytical solutions in the limit of two separated flat surfaces. Mechanical equilibrium is imposed at all times by repositioning the confining surface. By the use of kinetic Monte Carlo (KMC) we calculate how the equilibrium concentration (deposition rate) depends on the applied load, and find it to reproduce analytical thermodynamics independent of the parameters of the interaction ansatz. We also study the dependency between the surface roughness and the saturation level as we vary the surface tension, and expand on previous analyses of the asymmetry between growth and dissolution by parametrizing the linear growth rate constant for growth and dissolution separately. We find the presence of a confining surface to affect the speed of growth and dissolution equally.

Dissolution comparisons using a Multivariate Statistical Distance (MSD) test and a comparison of various approaches for calculating the measurements of dissolution profile comparison.

PubMed

Cardot, J-M; Roudier, B; Schütz, H

2017-07-01

The f 2 test is generally used for comparing dissolution profiles. In cases of high variability, the f 2 test is not applicable, and the Multivariate Statistical Distance (MSD) test is frequently proposed as an alternative by the FDA and EMA. The guidelines provide only general recommendations. MSD tests can be performed either on raw data with or without time as a variable or on parameters of models. In addition, data can be limited-as in the case of the f 2 test-to dissolutions of up to 85% or to all available data. In the context of the present paper, the recommended calculation included all raw dissolution data up to the first point greater than 85% as a variable-without the various times as parameters. The proposed MSD overcomes several drawbacks found in other methods.

In Situ Observation of Dissolution of Oxide Inclusions in Steelmaking Slags

NASA Astrophysics Data System (ADS)

Sharma, Mukesh; Mu, Wangzhong; Dogan, Neslihan

2018-05-01

Better understanding of removal of non-metallic inclusions is of importance in the steelmaking process to control the cleanliness of steel. In this study, the dissolution rate of Al2O3 and Al2TiO5 inclusions in a liquid CaO-SiO2-Al2O3 slag was measured using high-temperature confocal scanning laser microscopy (HT-CSLM) at 1550°C. The dissolution rate of inclusions is expressed as a function of the rate of decrease of the radius of solid particles with time. It is found that Al2O3 inclusions have a slower dissolution rate than that of Al2TiO5 inclusions at 1550°C. The rate-limiting steps are investigated in terms of a shrinking core model. It is shown that the rate-limiting step for dissolution of both inclusion types is mass transfer in the slag at 1550°C.

Predicting the dissolution kinetics of silicate glasses using machine learning

NASA Astrophysics Data System (ADS)

Anoop Krishnan, N. M.; Mangalathu, Sujith; Smedskjaer, Morten M.; Tandia, Adama; Burton, Henry; Bauchy, Mathieu

2018-05-01

Predicting the dissolution rates of silicate glasses in aqueous conditions is a complex task as the underlying mechanism(s) remain poorly understood and the dissolution kinetics can depend on a large number of intrinsic and extrinsic factors. Here, we assess the potential of data-driven models based on machine learning to predict the dissolution rates of various aluminosilicate glasses exposed to a wide range of solution pH values, from acidic to caustic conditions. Four classes of machine learning methods are investigated, namely, linear regression, support vector machine regression, random forest, and artificial neural network. We observe that, although linear methods all fail to describe the dissolution kinetics, the artificial neural network approach offers excellent predictions, thanks to its inherent ability to handle non-linear data. Overall, we suggest that a more extensive use of machine learning approaches could significantly accelerate the design of novel glasses with tailored properties.

Finite element analysis of contributing factors to the horizontal splitting cracks in concrete crossties pretensioned with seven-wire strands.

DOT National Transportation Integrated Search

2017-04-04

This paper employs the finite element (FE) modeling : method to investigate the contributing factors to the horizontal : splitting cracks observed in the upper strand plane in some : concrete crossties made with seven-wire strands. The concrete...

Predicting damage in concrete due to expansive aggregates : modeling to enable sustainable material design.

DOT National Transportation Integrated Search

2012-04-01

A poroelastic model is developed that can predict stress and strain distributions and, thus, ostensibly : damage likelihood in concrete under freezing conditions caused by aggregates with undesirable : combinations of geometry and constitutive proper...

Assessment of In-Situ Conditions Using Wave Propagation Techniques

DTIC Science & Technology

1988-03-01

bridge deck and pavement studies) in normal concrete is about 10 cm, and thus one-fifth of a wavelength amounts to 2 cm. The diameter of No. 6 rebars ...assess the effect of conditions in the neighboring concrete . In this model the rebar reflection has been modeled using the following Scattering...which represent the typical size used in concrete bridge decks is about 1.9 cm. Thus, these rebars lie at the lower limit of applicability of geometric

[The in vitro dissolution of total composition of the tablet of rhizomes of Ligusticum chuanxiong components and in vitro-in vivo correlation by the method of area under the absorbance-wavelength curve].

PubMed

Lai, Hong-qiang; Hu, Yue; Li, Xiao-dong

2015-06-01

To discuss the availability of evaluation on the dissolution studies of the multicomponents in traditional Chinese medicine, the in vitro dissolution of total composition of the tablet of rhizomes of Ligusticum chuanxiong components and its correlation with the in vivo were studied by the method of area under the absorbance-wavelength curve (AUAWC). Taken the tablet of rhizomes of Ligusticum chuanxiong components which is composed of sodium ferulate and ligustrazine hydrochloride as subject model, the dissolution tests were carried out with basket method. The plasma concentrations of tablets in different rats were determined by AUAWC at different interval times. The in vivo absorption percentage was calculated by Wagner-Nelson equation to evaluate the in vitro and in vivo correlation. According to the results, the cumulative dissolution in vitro of total composition of tablets of rhizomes of Ligusticum chuanxiong components at 60 min was 90.65% in water by AUAWC. The in vivo pharmacokinetics is fitted with an one-compartment model. The linear equation based on the cumulative dissolution rate (fr) and absorption percentage (fa) at 5, 10, 20, 30 and 60 min was fa = 0.819 7 fr+0.183 and the correlation coefficient was 0.959 5, which showed a good correlation between the in vitro dissolution and the in vivo absorption percentage. The method of AUAWC can be used accurately, feasibly and conveniently to evaluate the in vitro and in vivo correlation of total composition of tablets of rhizomes of Ligusticum chuanxiong components, which will provide better guidance to study the in vitro and in vivo correlation of sustained release preparation etc under complex system of traditional Chinese medicine in the future.

Dissolution and dissolution/permeation experiments for predicting systemic exposure following oral administration of the BCS class II drug clarithromycin.

PubMed

Kristin, Forner; René, Holm; Boontida, Morakul; Buraphacheep, Junyaprasert Varaporn; Maximilian, Ackermann; Johanna, Mazur; Peter, Langguth

2017-04-01

In order to save time and resources in early drug development, in vitro methods that correctly predict the formulation effect on oral drug absorption are necessary. The aim of this study was to 1) evaluate various BCS class II drug formulations with in vitro methods and in vivo in order to 2) determine which in vitro method best correlates with the in vivo results. Clarithromycin served as model compound in formulations with different particle sizes and content of excipients. The performed in vitro experiments were dissolution and dissolution/permeation experiments across two types of membrane, Caco-2 cells and excised rat intestinal sheets. The in vivo study was performed in rats. The oral absorption was enhanced by downsizing drug particles and by increasing the excipient concentration. This correlated strongly with the flux across Caco-2 cells but not with the other in vitro experiments. The insufficient correlation with the dissolution experiments can be partly explained by excipient caused problems during the filtration step. The very poor correlation of the in vivo data with the flux across excised rat intestinal sheets might be due to an artificially enlarged mucus layer ex vivo. In conclusion, downsizing BCS class II drug particles and the addition of surfactants enhanced the in vivo absorption, which was best depicted by dissolution/permeation experiments across Caco-2 cells. This setup is proposed as best model to predict the in vivo formulation effect. Also, this is the first study to evaluate the impact of the nature of the permeation membrane in dissolution/permeation experiments. Copyright © 2017 Elsevier B.V. All rights reserved.

Monitoring carbonate dissolution using spatially resolved under-sampled NMR propagators and MRI

NASA Astrophysics Data System (ADS)

Sederman, A. J.; Colbourne, A.; Mantle, M. D.; Gladden, L. F.; Oliveira, R.; Bijeljic, B.; Blunt, M. J.

2017-12-01

The dissolution of a porous rock matrix by an acidic flow causes a change in the pore structure and consequently the pattern of fluid flow and rock permeability. This process is relevant to many areas of practical relevance such as enhanced oil recovery, water contaminant migration and sequestration of supercritical CO2. The most important governing factors for the type of change in the pore space are related by the Péclet (Pe) and Damköhler (Da) dimensionless numbers; these compare the transport properties of the fluid in the porous medium with the reactive properties of the solid matrix and the incident fluid respectively. Variation in Pe and Da can cause very different evolution regimes of the pore space and flow can occur, ranging from a uniform dissolution through different "wormholing" regimes (shown on the left hand side of figure 1) to face dissolution. NMR has a unique capability of measuring both the flow and structural changes during such dissolution whilst the characteristics of flow in the highly heterogeneous matrix that is formed can be predicted by the CTRW modelling approach. Here, NMR measurements of displacement probability distributions, or propagators, have been used to monitor the evolution of fluid flow during a reactive dissolution rock core floods. Developments in the NMR method by undersampling the acquisition data enable spatially resolved measurements of the propagators to be done at sufficient displacement resolution and in a timescale that is short enough to capture the changes in structure and flow. The highly under-sampled (4%) data, which typically reduces the acquisition time from 2 hours to 6 minutes, has been shown to produce equivalent propagator results to the fully sampled experiment. Combining these propagator measurements with quantitative and fast imaging techniques a full time-resolved picture of the dissolution reaction is built up. Experiments have been done for both Ketton and Estaillades carbonate rock cores, which exhibit very different dissolution behaviours, and for which experiments and model comparisons will be shown.

Calyptogena-cemented rocks and concretions from the eastern part of Nankai accretionary prism: Age and geochemistry of uranium

NASA Astrophysics Data System (ADS)

Lalou, Claude; Fontugne, Michel; Lallemand, Serge E.; Lauriat-Rage, Agnès

1992-04-01

Calyptogena valves included in a carbonate-rich cement, and fragments of a carbonate-rich chimney, have been examined for their stable isotopic (C and O) composition,14C activity and uranium series disequilibrium. The fossil shells were formed essentially with seawater carbon and a negligible contribution of cold seepage organic carbon, as shown by theirδ13C values. This allows the14C method to be used to determine their age. A fairly good concordance between the14C and230Th234U ages of the youngest shells gives confidence in the dating of the older samples using the latter technique. Thus, theCalyptogena are dated at ca. 150,000 and 20,000 yrs B.P. They have been preserved from dissolution by rapid cementation by a supersaturated carbonate solution. The cement is especially rich in uranium (as high as 75 ppm), whose source is seawater; the enrichment is due to local reducing conditions brought about by the bacterial decomposition of the soft tissues of the bivalves shortly after death. TheCalyptogena that probably developed between these two events (the events of ca. 20,000 and 150,000 yrs) have not been preserved from dissolution because, as is presently the case, the cold seepages were undersaturated with calcium carbonate. The two events probably represent periods of intense fluid venting connected with tectonic activity.

Laboratory Experiments and Modeling of Pooled NAPL Dissolution in Porous Media

NASA Astrophysics Data System (ADS)

Copty, N. K.; Sarikurt, D. A.; Gokdemir, C.

2017-12-01

The dissolution of non-aqueous phase liquids (NAPLs) entrapped in porous media is commonly modeled at the continuum scale as the product of a chemical potential and an interphase mass transfer coefficient, the latter expressed in terms of Sherwood correlations that are related to flow and porous media properties. Because of the lack of precise estimates of the interface area separating the NAPL and aqueous phase, numerous studies have lumped the interfacial area into the interphase mass transfer coefficient. In this paper controlled dissolution experiments from a pooled NAPL were conducted. The immobile NAPL mass is placed at the bottom of a flow cell filled with porous media with water flowing on top. Effluent aqueous phase concentrations were measured for a wide range of aqueous phase velocities and for two types of porous media. To interpret the experimental results, a two-dimensional pore network model of the NAPL dissolution was developed. The well-defined geometry of the NAPL-water interface and the observed effluent concentrations were used to compute best-fit mass transfer coefficients and non-lumped Sherwood correlations. Comparing the concentrations predicted with the pore network model to simple previously used one-dimensional analytic solutions indicates that the analytic model which ignores the transverse dispersion can lead to over-estimation of the mass transfer coefficient. The predicted Sherwood correlations are also compared to previously published data and implications on NAPL remediation strategies are discussed.

Effect of particle size on solubility, dissolution rate, and oral bioavailability: evaluation using coenzyme Q10 as naked nanocrystals

PubMed Central

Sun, Jiao; Wang, Fan; Sui, Yue; She, Zhennan; Zhai, Wenjun; Wang, Chunling; Deng, Yihui

2012-01-01

In this paper work, four naked nanocrystals (size range 80–700 nm) were prepared without any surfactant or polymer using the solvent/nonsolvent method. The effects of particle size on their solubility, dissolution, and oral bioavailability were investigated. Solubility and dissolution testing were performed in three types of dissolution medium, and the studies demonstrated that the equilibrium solubilities of coenzyme Q10 nanocrystals and bulk drugs were not affected by the dissolution media but the kinetic solubilities were. Kinetic solubility curves and changes in particle size distribution were determined and well explained by the proposed solubilization model for the nanocrystals and bulk drugs. The particle size effect on dissolution was clearly influenced by the diffusion coefficients of the various dissolution media, and the dissolution velocity of coenzyme Q10 increased as particle size decreased. The bioavailability of coenzyme Q10 after oral administration in beagle dogs was improved by reducing the particle size. For 700 nm nanocrystals, the AUC0–48 was 4.4-fold greater than that for the coarse suspensions, but a further decrease in particle size from 700 nm to 120 nm did not contribute to improvement in bioavailability until the particle size was reduced to 80 nm, when bioavailability was increased by 7.3-fold. PMID:23166438

Effect of drug loading method against the dissolution mechanism of encapsulated amoxicillin trihidrate drug in matrix of semi-IPN chitosan-poly (N-vinyl pyrrolidone) hydrogel with pore forming agent CaCO3

NASA Astrophysics Data System (ADS)

Nurjannah, Yanah; Budianto, Emil

2018-04-01

Heliobacter pylori (H.pylori) is a type of bacteria that causes inflammation in the lining of the stomach. The treatment of the bacterial infection by using conventional medicine which is amoxicillin trihidrate has a very short retention time in the stomach which is about 1-1,5 hours. Floating drug delivery system is expected to have a long retention time in the stomach so the efficiency of drug can be achieved. In this study, has been synthesized matrix of semi-IPN chitosan-Poly(N-vinil pyrrolidone) hydrogel with a pore-forming agent of CaCO3 under optimum conditions. Amoxicillin is encapsulated in a matrix hydrogel to be applied as a floating drug delivery system by in situ loading and post loading methods. The encapsulation efficiency and dissolution of in situ loading and post loading hydrogels are performed in vitro on gastric pH. In situ loading hydrogel shows higer percentage of encapsulation efficiency and dissolution compared to post loading hydrogel. The encapsulation efficiency of in situ and post loading hydrogels were 92,1% and 89,4%, respectively. The aim of drug dissolution by mathematical equation model is to know kinetics and the mecanism of dissolution. The kinetics release of in situ hydrogel tends to follow first order kinetics, while the post loading hydrogel follow the Higuchi model. The dissolution mecanism of hydrogels is erosion.

Evaluation of dissolution profile similarity - Comparison between the f2, the multivariate statistical distance and the f2 bootstrapping methods.

PubMed

Paixão, Paulo; Gouveia, Luís F; Silva, Nuno; Morais, José A G

2017-03-01

A simulation study is presented, evaluating the performance of the f 2 , the model-independent multivariate statistical distance and the f 2 bootstrap methods in the ability to conclude similarity between two dissolution profiles. Different dissolution profiles, based on the Noyes-Whitney equation and ranging from theoretical f 2 values between 100 and 40, were simulated. Variability was introduced in the dissolution model parameters in an increasing order, ranging from a situation complying with the European guidelines requirements for the use of the f 2 metric to several situations where the f 2 metric could not be used anymore. Results have shown that the f 2 is an acceptable metric when used according to the regulatory requirements, but loses its applicability when variability increases. The multivariate statistical distance presented contradictory results in several of the simulation scenarios, which makes it an unreliable metric for dissolution profile comparisons. The bootstrap f 2 , although conservative in its conclusions is an alternative suitable method. Overall, as variability increases, all of the discussed methods reveal problems that can only be solved by increasing the number of dosage form units used in the comparison, which is usually not practical or feasible. Additionally, experimental corrective measures may be undertaken in order to reduce the overall variability, particularly when it is shown that it is mainly due to the dissolution assessment instead of being intrinsic to the dosage form. Copyright © 2016. Published by Elsevier B.V.

Measurement of the Rheological Properties of High Performance Concrete: State of the Art Report

PubMed Central

Ferraris, Chiara F.

1999-01-01

The rheological or flow properties of concrete in general and of high performance concrete (HPC) in particular, are important because many factors such as ease of placement, consolidation, durability, and strength depend on the flow properties. Concrete that is not properly consolidated may have defects, such as honeycombs, air voids, and aggregate segregation. Such an important performance attribute has triggered the design of numerous test methods. Generally, the flow behavior of concrete approximates that of a Bingham fluid. Therefore, at least two parameters, yield stress and viscosity, are necessary to characterize the flow. Nevertheless, most methods measure only one parameter. Predictions of the flow properties of concrete from its composition or from the properties of its components are not easy. No general model exists, although some attempts have been made. This paper gives an overview of the flow properties of a fluid or a suspension, followed by a critical review of the most commonly used concrete rheology tests. Particular attention is given to tests that could be used for HPC. Tentative definitions of terms such as workability, consistency, and rheological parameters are provided. An overview of the most promising tests and models for cement paste is given.

Experimental and finite element study of ultimate strength of continuous composite concrete slabs with steel decking

NASA Astrophysics Data System (ADS)

Gholamhoseini, Alireza

2018-03-01

Composite one-way concrete slabs with profiled steel decking as permanent formwork are commonly used in the construction industry. The steel decking supports the wet concrete of a cast in situ reinforced or post-tensioned concrete slab and, after the concrete sets, acts as external reinforcement. In this type of slab, longitudinal shear failure between the concrete and the steel decking is the most common type of failure at the ultimate load stage. Design codes require the experimental evaluation of the ultimate load capacity and longitudinal shear strength of each type of steel decking using full-scale tests on simple-span slabs. There is also no procedure in current design codes to evaluate the ultimate load capacity and longitudinal shear strength of continuous composite slabs and this is often assessed experimentally by full-scale tests. This paper presents the results of three full-scale tests up to failure on continuous composite concrete slabs cast with trapezoidal steel decking profile (KF70) that is widely used in Australia. Slab specimens were tested in four-point bending at each span with shear spans of span/4. The longitudinal shear failure of each slab is evaluated and the measured mid-span deflection, the end slip and the mid-span steel and concrete strains are also presented and discussed. Redistribution of bending moment in each slab is presented and discussed. A finite element model is proposed and verified by experimental data using interface element to model the bond properties between steel decking and concrete slab and investigate the ultimate strength of continuous composite concrete slabs.

GEOCHEMICAL AND BIOLOGICAL ASPECTS OF SULFIDE MINERAL DISSOLUTION: LESSONS FROM IRON MOUNTAIN, CALIFORNIA. (R826189)

EPA Science Inventory

Abstract

The oxidative dissolution of sulfide minerals leading to acid mine drainage (AMD) involves a complex interplay between microorganisms, solutions, and mineral surfaces. Consequently, models that link molecular level reactions and the microbial communities that ...

Modeling NAPL dissolution from pendular rings in idealized porous media

EPA Science Inventory

The rate of NAPL dissolution often governs the clean-up time for subsurface hazardous waste sites. Most formulations for estimating this rate are empirical and assume that the NAPL is the non-wetting fluid. However, field evidence suggests that some waste sites might be organic...

Eigendeformation-Based Homogenization of Concrete

DTIC Science & Technology

2009-03-26

The inelastic behavior of concrete is modeled using three types of eigenstrains . The eigenstrains in the mortar phase include pore compaction (or...lock-in), rate-dependent damage and plasticity eigenstrains , whereas the inelastic behavior of aggregates is assumed to be governed by plasticity...3  3. Microscale Inelastic Properties of Concrete: Eigenstrain

Influences of source condition and dissolution on bubble plume in a stratified environment

NASA Astrophysics Data System (ADS)

Chu, Shigan; Prosperetti, Andrea

2017-11-01

A cross-sectionally averaged model is used to study a bubble plume rising in a stratified quiescent liquid. Scaling analyses for the peel height, at which the plume momentum vanishes, and the neutral height, at which its average density equals the ambient density, are presented. Contrary to a widespread practice in the literature, it is argued that the neutral height cannot be identified with the experimentally reported intrusion height. Recognizing this difference provides an explanation of the reason why the intrusion height is found so frequently to lie so much above predictions, and brings the theoretical results in line with observations. The mathematical model depends on three dimensionless parameters, some of which are related to the inlet conditions at the plume source. Their influence on the peel and neutral heights is illustrated by means of numerical results. Aside from the source parameters, we incorporate dissolution of bubbles and the corresponding density change of plume into the model. Contrary to what's documented in literature, density change of plume due to dissolution plays an important role in keeping the total buoyancy of plume, thus alleviating the rapid decrease of peel height because of dissolution.

Effect of Phosphate, Fluoride, and Nitrate on Gibbsite Dissolution Rate and Solubility

DOE Office of Scientific and Technical Information (OSTI.GOV)

Herting, Daniel L.

2014-01-29

Laboratory tests have been completed with simulated tank waste samples to investigate the effects of phosphate, fluoride, and nitrate on the dissolution rate and equilibrium solubility of gibbsite in sodium hydroxide solution at 22 and 40{degrees}C. Results are compared to relevant literature data and to computer model predictions. The presence of sodium nitrate (3 M) caused a reduction in the rate of gibbsite dissolution in NaOH, but a modest increase in the equilibrium solubility of aluminum. The increase in solubility was not as large, though, as the increase predicted by the computer model. The presence of phosphate, either as sodiummore » phosphate or sodium fluoride phosphate, had a negligible effect on the rate of gibbsite dissolution, but caused a slight increase in aluminum solubility. The magnitude of the increased solubility, relative to the increase caused by sodium nitrate, suggests that the increase is due to ionic strength (or water activity) effects, rather than being associated with the specific ion involved. The computer model predicted that phosphate would cause a slight decrease in aluminum solubility, suggesting some Al-PO4 interaction. No evidence was found of such an interaction.« less

Reactive Transport at the Pore Scale with Applications to the Dissolution of Carbonate Rocks for CO2 Sequestration Operations

NASA Astrophysics Data System (ADS)

Boek, E.; Gray, F.; Welch, N.; Shah, S.; Crawshaw, J.

2014-12-01

In CO2 sequestration operations, CO2 injected into a brine aquifer dissolves in the liquid to create an acidic solution. This may result in dissolution of the mineral grains in the porous medium. Experimentally, it is hard to investigate this process at the pore scale. Therefore we develop a new hybrid particle simulation algorithm to study the dissolution of solid objects in a laminar flow field, as encountered in porous media flow situations. First, we calculate the flow field using a multi-relaxation-time lattice Boltzmann (LB) algorithm implemented on GPUs, which demonstrates a very efficient use of the GPU device and a considerable performance increase over CPU calculations. Second, using a stochastic particle approach, we solve the advection-diffusion equation for a single reactive species and dissolve solid voxels according to our reaction model. To validate our simulation, we first calculate the dissolution of a solid sphere as a function of time under quiescent conditions. We compare with the analytical solution for this problem [1] and find good agreement. Then we consider the dissolution of a solid sphere in a laminar flow field and observe a significant change in the sphericity with time due to the coupled dissolution - flow process. Second, we calculate the dissolution of a cylinder in channel flow in direct comparison with corresponding dissolution experiments. We discuss the evolution of the shape and dissolution rate. Finally, we calculate the dissolution of carbonate rock samples at the pore scale in direct comparison with micro-CT experiments. This work builds on our recent research on calculation of multi-phase flow [2], [3] and hydrodynamic dispersion and molecular propagator distributions for solute transport in homogeneous and heterogeneous porous media using LB simulations [4]. It turns out that the hybrid simulation model is a suitable tool to study reactive flow processes at the pore scale. This is of great importance for CO2 storage and Enhanced Oil Recovery applications. References[1] Rice, R. G. and Do, D.D., Chem. Eng. Sci., 61, 775-778 (2006)[2] Boek, E.S. and Venturoli, M., Comp. and Maths with Appl. 59, 2305-2314 (2010)[3] Yang, J. and Boek, E.S., Comp. and Maths with Appl. 65, 882-890 (2013)[4] Yang, J. Crawshaw, J. and Boek, E.S., Water Resources Research 49, 8531-8538 (2013)

Evaluation of the Carrying Capacity of Rectangular Steel-Concrete Columns

NASA Astrophysics Data System (ADS)

Vatulia, Glib; Rezunenko, Maryna; Petrenko, Dmytro; Rezunenko, Sergii

2018-06-01

Experimental studies of rectangular steel-concrete columns under centric compression with random eccentricity were conducted. The stress-strain state and the carrying capacity exhaustion have been assessed. The regression dependence is proposed to determine the maximum carrying capacity of such columns. The mathematical model takes into account the combined influence of the physical and geometric characteristics of the columns, such as their length, crosssectional area, casing thickness, prism strength of concrete, yield strength of steel, modulus of elasticity of both steel and concrete. The correspondence of the obtained model to the experimental data, as well as the significance of the regression parameters are confirmed by the Fisher and Student criteria.

Development of a multiaxial viscoelastoplastic continuum damage model for asphalt mixtures.

DOT National Transportation Integrated Search

2009-09-01

This report highlights findings from the FHWA DTFH61-05-H-00019 project, which focused on the development of the multiaxial viscoelastoplastic continuum damage model for asphalt concrete in both compression and tension. Asphalt concrete pavement, one...

7. VIEW OF BRINING TANK Newer, concrete model. After drying, ...

Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

7. VIEW OF BRINING TANK Newer, concrete model. After drying, skins were rolled in borax and packed into barrels, such as those seen in background. - Sealing Plant, St. George Island, Pribilof Islands, Saint George, Aleutians West Census Area, AK

Development of a 3D FEM model for concrete tie and fastening systems.

DOT National Transportation Integrated Search

2015-01-31

This project conducted detailed finite element (FE) modeling of the concrete crosstie and fastening system to better understand the mechanisms through which loads transfer within various track components in the lateral direction. This was completed b...

DOE Office of Scientific and Technical Information (OSTI.GOV)

Ortiz, E.; Kraatz, M.; Luthy, R.G.

The dissolution of naphthalene, phenanthrene, and pyrene from viscous organic phases into water was studied in continuous-flow systems for time periods ranging from several months to more than 1 year. By selecting nonaqueous phases ranging from low viscosity to semisolid, i.e., from a light lubricating oil to paraffin, the governance of mass transfer was shown to vary from water phase control to nonaqueous phase control. An advancing depleted-zone model is proposed to explain the dissolution of PAHs from a viscous organic phase wherein the formation of a depleted zone within the organic phase increases the organic phase resistance to themore » dissolution of PAHs. The experimental data suggest the formation of a depleted zone within the organic phase for systems comprising a high-viscosity oil, petrolatum (petroleum jelly), and paraffin. Organic phase resistance to naphthalene dissolution became dominant over aqueous phase resistance after flushing for several days. Such effects were not evident for low viscosity lubricating oil. The transition from aqueous-phase dissolution control to nonaqueous-phase dissolution control appears predictable, and this provides a more rational framework to assess long-term release of HOCs from viscous nonaqueous phase liquids and semisolids.« less

Effect of PVA fiber content on creep property of fiber reinforced high-strength concrete columns

NASA Astrophysics Data System (ADS)

Xu, Zongnan; Wang, Tao; Wang, Weilun

2018-04-01

The effect of PVA (polyvinyl alcohol) fiber content on the creep property of fiber reinforced high-strength concrete columns was investigated. The correction factor of PVA fiber content was proposed and the creep prediction model of ACI209 was modified. Controlling the concrete strength as C80, changing the content of PVA fiber (volume fraction 0%, 0.25%, 0.5%, 1% respectively), the creep experiment of PVA fiber reinforced concrete columns was carried out, the creep coefficient of each specimen was calculated to characterize the creep property. The influence of PVA fiber content on the creep property was analyzed based on the creep coefficient and the calculation results of several frequently used creep prediction models. The correction factor of PVA fiber content was proposed to modify the ACI209 creep prediction model.

Lattice Boltzmann simulation of dissolution-induced changes in permeability and porosity in 3D CO2 reactive transport

NASA Astrophysics Data System (ADS)

Tian, Zhiwei; Wang, Junye

2018-02-01

Dissolution and precipitation of rock matrix are one of the most important processes of geological CO2 sequestration in reservoirs. They change connections of pore channels and properties of matrix, such as bulk density, microporosity and hydraulic conductivity. This study builds on a recently developed multi-layer model to account for dynamic changes of microporous matrix that can accurately predict variations in hydraulic properties and reaction rates due to dynamic changes in matrix porosity and pore connectivity. We apply the model to simulate the dissolution and precipitation processes of rock matrix in heterogeneous porous media to quantify (1) the effect of the reaction rate on dissolution and matrix porosity, (2) the effect of microporous matrix diffusion on the overall effective diffusion and (3) the effect of heterogeneity on hydraulic conductivity. The results show the CO2 storage influenced by factors including the matrix porosity change, reaction front movement, velocity and initial properties. We also simulated dissolution-induced permeability enhancement as well as effects of initial porosity heterogeneity. The matrix with very low permeability, which can be unresolved on X-ray CT, do contribute to flow patterns and dispersion. The concentration of reactant H+ increases along the main fracture paths where the flow velocity increases. The product Ca++ shows the inversed distribution pattern against the H+ concentration. This demonstrates the capability of this model to investigate the complex CO2 reactive transport in real 3D heterogeneous porous media.

Ocean acidification: Towards a better understanding of calcite dissolution

NASA Astrophysics Data System (ADS)

Wilhelmus, Monica M.; Adkins, Jess; Menemenlis, Dimitris

2016-11-01

The drastic increase of anthropogenic CO2 emissions over the past two centuries has altered the chemical structure of the ocean, acidifying upper ocean waters. The net impact of this pH decrease on marine ecosystems is still unclear, given the unprecedented rate at which CO2 is being released into the atmosphere. As part of the carbon cycle, calcium carbonate dissolution in sediments neutralizes CO2: phytoplankton at the surface produce carbonate minerals, which sink and reach the seafloor after the organisms die. On time scales of thousands of years, the calcium carbonate in these shells ultimately reacts with CO2 in seawater. Research in this field has been extensive; nevertheless, the dissolution rate law, the impact of boundary layer transport, and the feedback with the global ocean carbon cycle remain controversial. Here, we (i) develop a comprehensive numerical framework via 1D modeling of carbonate dissolution in sediments, (ii) approximate its impact on water column properties by implementing a polynomial approximation to the system's response into a global ocean biogeochemistry general circulation model (OBGCM), and (iii) examine the OBGCM sensitivity response to different formulations of sediment boundary layer properties. We find that, even though the burial equilibration time scales of calcium carbonate are in the order of thousands of years, the formulation of a bottom sediment model along with an improved description of the dissolution rate law can have consequences on multi-year to decadal time scales.

Investigation of the Dissolution Profile of Gliclazide Modified-Release Tablets Using Different Apparatuses and Dissolution Conditions.

PubMed

Skripnik, K K S; Riekes, M K; Pezzini, B R; Cardoso, S G; Stulzer, H K

2017-07-01

In the absence of an official dissolution method for modified-release tablets of gliclazide, dissolution parameters, such as apparatuses (1, 2, and 3), rotation speeds, pH, and composition of the dissolution medium were investigated. The results show that although the drug presents a pH-mediated solubility (pH 7.0 > 6.8 > 6.4 > 6.0 > 5.5 > 4.5), the in vitro release of the studied tablets was not dependent on this parameter, despite of the apparatus tested. On the other hand, the rotation speed demonstrated a greater influence (100 rpm >50 rpm). Using similar hydrodynamic conditions, the three different apparatuses were compared in pH 6.8 and provided the following trend: apparatus 1 at 100 rpm >2 at 50 rpm ≈3 at 10 dpm. As a complete, but slow release is expected from modified-release formulations, apparatus 2, in phosphate buffer pH 6.8 and 100 rpm, were selected as the optimized dissolution method. In comparison to apparatus 1 under the same conditions, the paddle avoids the stickiness of formulation excipients at the mesh of the basket, which could prejudice the release of gliclazide. Results obtained with biorelevant medium through the developed dissolution method were similar to the buffer solution pH 6.8. The application of the optimized method as a quality control test between two different brands of gliclazide modified-release tablets showed that both dissolution profiles were considered similar by the similarity factor (f2 = 51.8). The investigation of these dissolution profiles indicated a dissolution kinetic following first-order model.

The impact of calcium carbonate as pore forming agent and drug entrapment method towards drug dissolution mechanism of amoxicillin trihydrate encapsulated by chitosan-methyl cellulose semi-IPN hydrogel for floating drug delivery system

NASA Astrophysics Data System (ADS)

Dewantara, Fauzi; Budianto, Emil

2018-04-01

Chitosan-methyl cellulose semi-IPN hydrogel is used as floating drug delivery system, and calcium carbonate also added as pore forming agent. The hydrogel network arranged by not only using biopolymer chitosan and methyl cellulose, but also the crosslink agent that is glutaraldehyde. Amoxicillin trihydrate entrapped into the polymer network with two different method, in situ loading and post loading. Furthermore both method has been tested for drug entrapment efficiency along with drug dissolution test, and the result for drug entrapment efficiency is in situ loading method has highest value of 100%, compared to post loading method which has value only 71%. Moreover, at the final time of drug dissolution test shows in situ loading method has value of 96% for total accumulative of drug dissolution, meanwhile post loading method has 72%. The value of drug dissolution test from both method is used for analyzing drug dissolution mechanism of amoxicillin trihydrate from hydrogel network with four mathematical drug mechanism models as parameter. The polymer network encounter destructive degradation causes by acid solution which used as dissolution medium, and the level of degradation is observed with optical microscope. However the result shows that degradation of the polymer network doesn't affect drug dissolution mechanism directly. Although the pore forming agent causes the pore inside the hydrogel network create interconnection and it was quite influential to drug dissolution mechanism. Interconnected pore is observed with Scanning Electron Microscope (SEM) and shows that the amount and area of interconnected pore inside the hydrogel network is increasing as drug dissolution goes on.

Effects of syntactic structure in the memory of concrete and abstract Chinese sentences.

PubMed

Ho, C S; Chen, H C

1993-09-01

Smith (1981) found that concrete English sentences were better recognized than abstract sentences and that this concreteness effect was potent only when the concrete sentence was also affirmative but the effect switched to an opposite end when the concrete sentence was negative. These results were partially replicated in Experiment 1 by using materials from a very different language (i.e., Chinese): concrete-affirmative sentences were better remembered than concrete-negative and abstract sentences, but no reliable difference was found between the latter two types. In Experiment 2, the task was modified by using a visual presentation instead of an oral one as in Experiment 1. Both concrete-affirmative and concrete-negative sentences were better memorized then abstract ones in Experiment 2. The findings in the two experiments are explained by a combination of the dual-coding model and Marschark's (1985) item-specific and relational processing. The differential effects of experience with different language systems on processing verbal materials in memory are also discussed.

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neeway, James J.; Rieke, Peter C.; Parruzot, Benjamin P.

In far-from-equilibrium conditions, the dissolution of borosilicate glasses used to immobilize nuclear waste is known to be a function of both temperature and pH. The aim of this paper is to study effects of these variables on three model waste glasses (SON68, ISG, AFCI). To do this, experiments were conducted at temperatures of 23, 40, 70, and 90 °C and pH(RT) values of 9, 10, 11, and 12 with the single-pass flow-through (SPFT) test method. The results from these tests were then used to parameterize a kinetic rate model based on transition state theory. Both the absolute dissolution rates andmore » the rate model parameters are compared with previous results. Discrepancies in the absolute dissolution rates as compared to those obtained using other test methods are discussed. Rate model parameters for the three glasses studied here are nearly equivalent within error and in relative agreement with previous studies. The results were analyzed with a linear multivariate regression (LMR) and a nonlinear multivariate regression performed with the use of the Glass Corrosion Modeling Tool (GCMT), which is capable of providing a robust uncertainty analysis. This robust analysis highlights the high degree of correlation of various parameters in the kinetic rate model. As more data are obtained on borosilicate glasses with varying compositions, the effect of glass composition on the rate parameter values could possibly be obtained. This would allow for the possibility of predicting the forward dissolution rate of glass based solely on composition« less

The effect of dentin on the pulp tissue dissolution capacity of sodium hypochlorite and calcium hydroxide.

PubMed

Slutzky-Goldberg, Iris; Hanut, Aiham; Matalon, Shlomo; Baev, Valery; Slutzky, Hagay

2013-08-01

Sodium hypochlorite (NaOCl) and calcium hydroxide (Ca[OH]2) have tissue dissolution capacity. The aim of this study was to evaluate the potential effect of dentin on their tissue dissolution capacity in a novel dentin model. Dentin models were prepared from 25 freshly extracted human molar teeth; the crowns were separated from the roots, and a rectangular inner shape was prepared. Pulp tissue samples adjusted to similar weights of 6.5 ± 0.2 mg were randomly divided into 6 groups: NaOCl groups in test tubes or dentin models for 1 hour, Ca(OH)2 groups in test tubes or dentin models for 1 week, and control groups saline in test tubes or dentin models for 1 week. The final weights after the experimental period were checked and compared with the initial weights. The differences were statistically analyzed. The tissue dissolution capacity of Ca(OH)2 was affected by the presence of dentin. Similarly, NaOCl lost its effect on the pulp tissue after incubation in dentin. Comparison between all test groups showed highly significant differences (P < .001). Dentin has a detrimental effect on the ability of NaOCl and Ca(OH)2 to dissolve pulp tissue. The dentin model appears to be an efficient tool for the study of interactions between local endodontic medicaments, dentin, and pulp tissue. Copyright © 2013 American Association of Endodontists. Published by Elsevier Inc. All rights reserved.

Modeling of fracture of protective concrete structures under impact loads

DOE Office of Scientific and Technical Information (OSTI.GOV)

Radchenko, P. A., E-mail: radchenko@live.ru; Batuev, S. P.; Radchenko, A. V.

This paper presents results of numerical simulation of interaction between a Boeing 747-400 aircraft and the protective shell of a nuclear power plant. The shell is presented as a complex multilayered cellular structure consisting of layers of concrete and fiber concrete bonded with steel trusses. Numerical simulation was performed three-dimensionally using the original algorithm and software taking into account algorithms for building grids of complex geometric objects and parallel computations. Dynamics of the stress-strain state and fracture of the structure were studied. Destruction is described using a two-stage model that allows taking into account anisotropy of elastic and strength propertiesmore » of concrete and fiber concrete. It is shown that wave processes initiate destruction of the cellular shell structure; cells start to destruct in an unloading wave originating after the compression wave arrival at free cell surfaces.« less

Accelerated dissolution testing for controlled release microspheres using the flow-through dissolution apparatus.

PubMed

Collier, Jarrod W; Thakare, Mohan; Garner, Solomon T; Israel, Bridg'ette; Ahmed, Hisham; Granade, Saundra; Strong, Deborah L; Price, James C; Capomacchia, A C

2009-01-01

Theophylline controlled release capsules (THEO-24 CR) were used as a model system to evaluate accelerated dissolution tests for process and quality control and formulation development of controlled release formulations. Dissolution test acceleration was provided by increasing temperature, pH, flow rate, or adding surfactant. Electron microscope studies on the theophylline microspheres subsequent to each experiment showed that at pH values of 6.6 and 7.6 the microspheres remained intact, but at pH 8.6 they showed deterioration. As temperature was increased from 37-57 degrees C, no change in microsphere integrity was noted. Increased flow rate also showed no detrimental effect on integrity. The effect of increased temperature was determined to be the statistically significant variable.

Do Concretely and Abstractly Worded Arguments Require Different Models?

ERIC Educational Resources Information Center

Hample, Dale

Dale Hample's cognitive model of argument is designed to reflect the operation of syllogistic thought processes. It has been suggested however, that the model applies more closely to abstractly worded arguments than to concrete thinking and that it also may work better with more interested respondents because it seems to describe the central…

Gender and the Stability of Same-Sex and Different-Sex Relationships Among Young Adults.

PubMed

Joyner, Kara; Manning, Wendy; Bogle, Ryan

2017-12-01

Most research on the stability of adult relationships has focused on coresidential (cohabiting or married) unions and estimates rates of dissolution for the period of coresidence. Studies examining how the stability of coresidential unions differs by sex composition have typically found that same-sex female couples have higher rates of dissolution than same-sex male couples and different-sex couples. We argue that the more elevated rates of dissolution for same-sex female couples are a by-product of the focus on coresidential unions. We use data from the National Longitudinal Study of Adolescent to Adult Health to compare rates of dissolution based on the total duration of romantic and sexual relationships for same-sex male couples, same-sex female couples, and different-sex couples. Results from hazard models that track the stability of young adult relationships from the time they are formed demonstrate that male couples have substantially higher dissolution rates than female couples and different-sex couples. Results based on models restricted to the period of coresidence corroborate the counterintuitive finding from earlier studies that female couples have the highest rates of dissolving coresidential unions. This study underlines the importance of comparisons between these couple types for a better understanding of the role that institutions and gender play in the stability of contemporary relationships.

Analysis of concrete targets with different kinds of reinforcements subjected to blast loading

NASA Astrophysics Data System (ADS)

Oña, M.; Morales-Alonso, G.; Gálvez, F.; Sánchez-Gálvez, V.; Cendón, D.

2016-05-01

In this paper we describe an experimental campaign carried out to study and analyse the behaviour of concrete slabs when subjected to blast loading. Four different types of concrete have been tested: normal strength concrete with steel rebar, normal strength concrete with steel rebar retrofitted with Kevlar coating, steel fibre reinforced concrete (SFRC) and polypropylene fibre reinforced concrete (PFRC). The major asset of the experimental setup used is that it allows to subject up to four specimens to the same blast load what, besides being cost effective, makes possible to have a measure of the experimental scatter. The results of SFRC and PFRC concretes have been analysed by using a previously developed material model for the numerical simulation of concrete elements subjected to blast. The experimental campaign and preliminary results of this numerical analysis show how the high strain rates, in spite of improving the mechanical properties of these kinds of fibre reinforced concretes, lead to an embrittlement of the material, which may be dangerous from the point of view of the structural behaviour.

Impact analyses for negative flexural responses (hogging) in railway prestressed concrete sleepers

NASA Astrophysics Data System (ADS)

Kaewunruen, S.; Ishida, T.; Remennikov, AM

2016-09-01

By nature, ballast interacts with railway concrete sleepers in order to provide bearing support to track system. Most train-track dynamic models do not consider the degradation of ballast over time. In fact, the ballast degradation causes differential settlement and impact forces acting on partial and unsupported tracks. Furthermore, localised ballast breakages underneath railseat increase the likelihood of centrebound cracks in concrete sleepers due to the unbalanced support under sleepers. This paper presents a dynamic finite element model of a standard-gauge concrete sleeper in a track system, taking into account the tensionless nature of ballast support. The finite element model was calibrated using static and dynamic responses in the past. In this paper, the effects of centre-bound ballast support on the impact behaviours of sleepers are highlighted. In addition, it is the first to demonstrate the dynamic effects of sleeper length on the dynamic design deficiency in concrete sleepers. The outcome of this study will benefit the rail maintenance criteria of track resurfacing in order to restore ballast profile and appropriate sleeper/ballast interaction.

An Investigation of the Mathematical Models of Piaget's Psychological Theory of Cognitive Learning. Final Report.

ERIC Educational Resources Information Center

Kalechofsky, Robert

This research paper proposes several mathematical models which help clarify Piaget's theory of cognition on the concrete and formal operational stages. Some modified lattice models were used for the concrete stage and a combined Boolean Algebra and group theory model was used for the formal stage. The researcher used experiments cited in the…

The effect of fuel chemistry on UO2 dissolution

DOE Office of Scientific and Technical Information (OSTI.GOV)

Casella, Amanda; Hanson, Brady; Miller, William

2016-08-01

The dissolution rate of both unirradiated UO2 and used nuclear fuel has been studied by numerous countries as part of the performance assessment of proposed geologic repositories. In the scenario of waste package failure and groundwater infiltration into the fuel, the effects of variables such as temperature, dissolved oxygen, and water and fuel chemistry on the dissolution rates of the fuel are necessary to provide a quantitative estimate of the potential release over geologic time frames. The primary objective of this research was to determine the influence these parameters have on the dissolution rate of unirradiated UO2 under repository conditionsmore » and compare them to the rates predicted by current dissolution models. Both unirradiated UO2 and UO2 doped with varying concentrations of Gd2O3, to simulate used fuel composition after long time periods where radiolysis has minor contributions to dissolution, were examined. In general, a rise in temperature increased the dissolution rate of UO2 and had a larger effect on pure UO2 than on those doped with Gd2O3. Oxygen dependence was observed in the UO2 samples with no dopant and increased as the temperature rose; in the doped fuels less dependence was observed. The addition of gadolinia into the UO2 matrix showed a significant decrease in the dissolution rate. The matrix stabilization effect resulting from the dopant proved even more beneficial in lowering the dissolution rate at higher temperatures and dissolved O2 concentrations in the leachate where the rates would typically be elevated.« less

Analytical model of cracking due to rebar corrosion expansion in concrete considering the structure internal force

NASA Astrophysics Data System (ADS)

Lin, Xiangyue; Peng, Minli; Lei, Fengming; Tan, Jiangxian; Shi, Huacheng

2017-12-01

Based on the assumptions of uniform corrosion and linear elastic expansion, an analytical model of cracking due to rebar corrosion expansion in concrete was established, which is able to consider the structure internal force. And then, by means of the complex variable function theory and series expansion technology established by Muskhelishvili, the corresponding stress component functions of concrete around the reinforcement were obtained. Also, a comparative analysis was conducted between the numerical simulation model and present model in this paper. The results show that the calculation results of both methods were consistent with each other, and the numerical deviation was less than 10%, proving that the analytical model established in this paper is reliable.

In vitro dissolution method fitted to in vivo absorption profile of rivaroxaban immediate-release tablets applying in silico data.

PubMed

Wingert, Nathalie R; Dos Santos, Natália O; Campanharo, Sarah C; Simon, Elisa S; Volpato, Nadia M; Steppe, Martin

2018-05-01

This study aimed to develop and validate an in vitro dissolution method based on in silico-in vivo data to determine whether an in vitro-in vivo relationship could be established for rivaroxaban in immediate-release tablets. Oral drugs with high permeability but poorly soluble in aqueous media, such as the anticoagulant rivaroxaban, have a major potential to reach a high level of in vitro-in vivo relationship. Currently, there is no study on scientific literature approaching the development of RIV dissolution profile based on its in vivo performance. Drug plasma concentration values were modeled using computer simulation with adjustment of pharmacokinetic properties. Those values were converted into drug fractions absorbed by the Wagner-Nelson deconvolution approach. Gradual and continuous dissolution of RIV tablets was obtained with a 30 rpm basket on 50 mM sodium acetate +0.2% SDS, pH 6.5 medium. Dissolution was conducted for up to 180 min. The fraction absorbed was plotted against the drug fraction dissolved, and a linear point-to-point regression (R 2  = 0.9961) obtained. The in vitro dissolution method designed promoted a more convenient dissolution profile of RIV tablets, whereas it suggests a better relationship with in vivo performance.

Solubility classification of airborne uranium products collected at the perimeter of the Allied Chemical Plant, Metropolis, Illinois

DOE Office of Scientific and Technical Information (OSTI.GOV)

Kalkwarf, D.R.

1980-05-01

Airborne uranium products were collected at the perimeter of the uranium-conversion plant operated by the Allied Chemical Corporation at Metropolis, Illinois, and the dissolution rates of these products were classified in terms of the ICRP Task Group Lung Model. Assignments were based on measurements of the dissolution half-times exhibited by uranium components of the dust samples as they dissolved in simulated lung fluid at 37/sup 0/C. Based on three trials, the dissolution behavior of dust with aerodynamic equivalent diameter (AED) less than 5.5 ..mu..m and collected nearest the closest residence to the plant was classified 0.40 D, 0.60 Y. Basedmore » on two trials, the dissolution behavior of dust with AED greater than 5.5 ..mu..m and collected at this location was classified 0.37 D, 0.63 Y. Based on one trial, the dissolution behavior of dust with AED less than 5.5 ..mu..m and collected at a location on the opposite side of the plant was classified 0.68 D, 0.32 Y. There was some evidence for adsorption of dissolved uranium onto other dust components during dissolution, and preliminary dissolution trials are recommended for future samples in order to optimize the fluid replacement schedule.« less

Dissolution of a new explosive formulation containing TNT and HMX: comparison with octol.

PubMed

Monteil-Rivera, Fanny; Deschamps, Stéphane; Ampleman, Guy; Thiboutot, Sonia; Hawari, Jalal

2010-02-15

GIM (Greener Insensitive Material) is a new explosive formulation made of HMX (51.5%), TNT (40.7%), and a binder, ETPE (7.8%), which is currently investigated by the Canadian Department of National Defense for a wider use by the Army. In the present study, dissolution of GIM in water was measured and compared to the dissolution of octol (HMX/TNT: 70/30). Although the presence of ETPE did not prevent completely TNT and HMX from dissolving, GIM appeared to dissolve more slowly than octol. The ETPE was shown to prevent the formulation particles from collapsing and to retard the dissolution of both TNT and HMX by limiting their exposure to water. In both octol and GIM, the dissolution rate of the particles was governed by the compound(s) that are slower to dissolve, i.e. HMX in octol, and HMX and ETPE in GIM. A model based on Fick's diffusion law allowed fitting well the dissolution data of octol but was less appropriate to fit the data of GIM likely due to a physical rearrangement of the solid upon dissolution. The present findings demonstrate that ETPE in GIM decreases the risks of explosives leakage from particles of the new formulation and should facilitate the collecting of non-exploded GIM particles in training sites.

Oxide Dissolution and Oxygen Diffusion in Solid-State Recycled Ti-6Al-4V: Numerical Modeling, Verification by Nanoindentation, and Effects on Grain Growth and Recrystallization

NASA Astrophysics Data System (ADS)

Lui, E. W.; Palanisamy, S.; Dargusch, M. S.; Xia, K.

2017-12-01

The oxide dissolution and oxygen diffusion during annealing of Ti-6Al-4V solid-state recycled from machining chips by equal-channel angular pressing (ECAP) have been investigated using nanoindentation and numerical modeling. The hardness profile from nanoindentation was converted into the oxygen concentration distribution using the Fleisher and Friedel model. An iterative fitting method was then employed to revise the ideal model proposed previously, leading to correct predictions of the oxide dissolution times and oxygen concentration profiles and verifying nanoindentation as an effective method to measure local oxygen concentrations. Recrystallization started at the prior oxide boundaries where local strains were high from the severe plastic deformation incurred in the ECAP recycling process, forming a band of ultrafine grains whose growth was retarded by solute dragging thanks to high oxygen concentrations. The recrystallized fine-grained region would advance with time to eventually replace the lamellar structure formed during ECAP.

Finite element analysis of ultra-high performance concrete : modeling structural performance of an AASHTO type II girder and a 2nd generation pi-girder

DOT National Transportation Integrated Search

2010-10-01

Ultra-high performance concrete (UHPC) is an advanced cementitious composite material which has been developed in recent decades. When compared to more conventional cement-based concrete materials, UHPC tends to exhibit superior properties such as in...

The Factor Structure of Concrete and Formal Operations: A Confirmation of Piaget.

ERIC Educational Resources Information Center

Gray, William M.

Piaget has hypothesized that concrete and formal operations can be described by specific logical models. The present study focused on assessing various aspects of four concrete operational groupings and two variations of two formal operational characteristics. Six hundred twenty-two 9-14 year old students participating in the Human Sciences…

Influence of design parameters in Water-Alternating-Gas Injection on enhancement of CO2 trapping in heterogeneous formations: A numerical study

NASA Astrophysics Data System (ADS)

Joodaki, S.; Yang, Z.; Niemi, A. P.

2016-12-01

CO2 trapping in saline aquifers can be enhanced by applying specific injection strategies. Water-alternating-gas (WAG) injection, in which intermittent slugs of CO2 and water are injected, is one of the suggested methods to increase the trapping of CO2 as a result of both capillary forces (residual trapping) and dissolution into the ambient water (dissolution trapping). In this study, 3D numerical modeling was used to investigate the importance of parameters needed to design an effective WAG injection sequence including (i) CO2 and water injection rates, (ii) WAG ratio, (iii) number of cycles and their duration. We employ iTOUGH2-EOS17 model to simulate the CO2 injection and subsequent trapping in heterogeneous formations. Spatially correlated random permeability fields are generated using GSLIB based on available data at the Heletz, a pilot injection site in Israel, aimed for scientifically motivated CO2 injection experiments. Hysteresis effects on relative permeability and capillary pressure function are taken into account based on the Land model (1968). The results showed that both residual and dissolution trapping can be enhanced by increasing in CO2 injection rate due to the fact that higher CO2 injection rate reduces the gravity segregation and increases the reservoir volume swept by CO2. Faster water injection will favor the residual and dissolution trapping due to improved mixing. Increasing total amount of water injection will increase the dissolution trapping but also the cost of the injection. It causes higher pressure increases as well. Using numerical modeling, it is possible to predict the best parameter combination to optimize the trapping and find the balance between safety and cost of the injection process.

Processing of visual semantic information to concrete words: temporal dynamics and neural mechanisms indicated by event-related brain potentials( ).

PubMed

van Schie, Hein T; Wijers, Albertus A; Mars, Rogier B; Benjamins, Jeroen S; Stowe, Laurie A

2005-05-01

Event-related brain potentials were used to study the retrieval of visual semantic information to concrete words, and to investigate possible structural overlap between visual object working memory and concreteness effects in word processing. Subjects performed an object working memory task that involved 5 s retention of simple 4-angled polygons (load 1), complex 10-angled polygons (load 2), and a no-load baseline condition. During the polygon retention interval subjects were presented with a lexical decision task to auditory presented concrete (imageable) and abstract (nonimageable) words, and pseudowords. ERP results are consistent with the use of object working memory for the visualisation of concrete words. Our data indicate a two-step processing model of visual semantics in which visual descriptive information of concrete words is first encoded in semantic memory (indicated by an anterior N400 and posterior occipital positivity), and is subsequently visualised via the network for object working memory (reflected by a left frontal positive slow wave and a bilateral occipital slow wave negativity). Results are discussed in the light of contemporary models of semantic memory.

Fatal and nonfatal risk associated with recycle of D&D-generated concrete

DOE Office of Scientific and Technical Information (OSTI.GOV)

Boren, J.K.; Ayers, K.W.; Parker, F.L.

1997-02-01

As decontamination and decommissioning activities proceed within the U.S. Department of Energy Complex, vast volumes of uncontaminated and contaminated concrete will be generated. The current practice of decontaminating and landfilling the concrete is an expensive and potentially wasteful practice. Research is being conducted at Vanderbilt University to assess the economic, social, legal, and political ramifications of alternate methods of dealing with waste concrete. An important aspect of this research work is the assessment of risk associated with the various alternatives. A deterministic risk assessment model has been developed which quantifies radiological as well as non-radiological risks associated with concrete disposalmore » and recycle activities. The risk model accounts for fatal as well as non-fatal risks to both workers and the public. Preliminary results indicate that recycling of concrete presents potentially lower risks than the current practice. Radiological considerations are shown to be of minor importance in comparison to other sources of risk, with conventional transportation fatalities and injuries dominating. Onsite activities can also be a major contributor to non-fatal risk.« less

A statistical approach to optimizing concrete mixture design.

PubMed

Ahmad, Shamsad; Alghamdi, Saeid A

2014-01-01

A step-by-step statistical approach is proposed to obtain optimum proportioning of concrete mixtures using the data obtained through a statistically planned experimental program. The utility of the proposed approach for optimizing the design of concrete mixture is illustrated considering a typical case in which trial mixtures were considered according to a full factorial experiment design involving three factors and their three levels (3(3)). A total of 27 concrete mixtures with three replicates (81 specimens) were considered by varying the levels of key factors affecting compressive strength of concrete, namely, water/cementitious materials ratio (0.38, 0.43, and 0.48), cementitious materials content (350, 375, and 400 kg/m(3)), and fine/total aggregate ratio (0.35, 0.40, and 0.45). The experimental data were utilized to carry out analysis of variance (ANOVA) and to develop a polynomial regression model for compressive strength in terms of the three design factors considered in this study. The developed statistical model was used to show how optimization of concrete mixtures can be carried out with different possible options.

A Statistical Approach to Optimizing Concrete Mixture Design

PubMed Central

Alghamdi, Saeid A.

2014-01-01

A step-by-step statistical approach is proposed to obtain optimum proportioning of concrete mixtures using the data obtained through a statistically planned experimental program. The utility of the proposed approach for optimizing the design of concrete mixture is illustrated considering a typical case in which trial mixtures were considered according to a full factorial experiment design involving three factors and their three levels (33). A total of 27 concrete mixtures with three replicates (81 specimens) were considered by varying the levels of key factors affecting compressive strength of concrete, namely, water/cementitious materials ratio (0.38, 0.43, and 0.48), cementitious materials content (350, 375, and 400 kg/m3), and fine/total aggregate ratio (0.35, 0.40, and 0.45). The experimental data were utilized to carry out analysis of variance (ANOVA) and to develop a polynomial regression model for compressive strength in terms of the three design factors considered in this study. The developed statistical model was used to show how optimization of concrete mixtures can be carried out with different possible options. PMID:24688405

Improving Representational Competence with Concrete Models

ERIC Educational Resources Information Center

Stieff, Mike; Scopelitis, Stephanie; Lira, Matthew E.; DeSutter, Dane

2016-01-01

Representational competence is a primary contributor to student learning in science, technology, engineering, and math (STEM) disciplines and an optimal target for instruction at all educational levels. We describe the design and implementation of a learning activity that uses concrete models to improve students' representational competence and…

Design Recommendations for Concrete Tunnel Linings : Volume I. Results of Model Tests and Analytical Parameter Studies.

DOT National Transportation Integrated Search

1983-11-01

Volume 1 of this report describes model tests and analytical studies based on experience, interviews with design engineers, and literature reviews, carried out to develop design recommendations for concrete tunnel linings. Volume 2 contains the propo...

A review of recent developments in parametric based acoustic emission techniques applied to concrete structures

NASA Astrophysics Data System (ADS)

Vidya Sagar, R.; Raghu Prasad, B. K.

2012-03-01

This article presents a review of recent developments in parametric based acoustic emission (AE) techniques applied to concrete structures. It recapitulates the significant milestones achieved by previous researchers including various methods and models developed in AE testing of concrete structures. The aim is to provide an overview of the specific features of parametric based AE techniques of concrete structures carried out over the years. Emphasis is given to traditional parameter-based AE techniques applied to concrete structures. A significant amount of research on AE techniques applied to concrete structures has already been published and considerable attention has been given to those publications. Some recent studies such as AE energy analysis and b-value analysis used to assess damage of concrete bridge beams have also been discussed. The formation of fracture process zone and the AE energy released during the fracture process in concrete beam specimens have been summarised. A large body of experimental data on AE characteristics of concrete has accumulated over the last three decades. This review of parametric based AE techniques applied to concrete structures may be helpful to the concerned researchers and engineers to better understand the failure mechanism of concrete and evolve more useful methods and approaches for diagnostic inspection of structural elements and failure prediction/prevention of concrete structures.

Interdisciplinary Research to Elucidate Mechanisms Governing Silver Nanoparticle Fate and Transport in Porous Media

NASA Astrophysics Data System (ADS)

Pennell, K. D.; Mittleman, A.; Taghavy, A.; Fortner, J.; Lantagne, D.; Abriola, L. M.

2014-12-01

Interdisciplinary Research to Elucidate Mechanisms Governing Silver Nanoparticle Fate and Transport in Porous Media Anjuliee M. Mittelman, Amir Taghavy, Yonggang Wang, John D. Fortner, Daniele S. Lantagne, Linda M. Abriola and Kurt D. Pennell* Detailed knowledge of the processes governing nanoparticle transport and reactivity in porous media is essential for accurate predictions of environmental fate, water and wastewater treatment system performance, and assessment of potential risks to ecosystems and water supplies. To address these issues, an interdisciplinary research team combined experimental and mathematical modeling studies to investigate the mobility, dissolution, and aging of silver nanoparticles (nAg) in representative aquifer materials and ceramic filters. Results of one-dimensional column studies, conducted with water-saturated sands maintained at pH 4 or 7 and three levels of dissolved oxygen (DO), revealed that fraction of silver mass eluted as Ag+ increased with increasing DO level, and that the dissolution of attached nAg decreased over time as a result of surface oxidation. A hybrid Eulerain-Lagragian nanoparticle transport model, which incorporates DO-dependent dissolution kinetics and particle aging, was able to accurately simulate nAg mobility and Ag+ release measured in the column experiments. Model sensitivity analysis indicated that as the flow velocity and particle size decrease, nAg dissolution and Ag+ transport processes increasingly govern silver mobility. Consistent results were obtained in studies of ceramic water filters treated with nAg, where silver elution was shown to be governed by nAg dissolution to form Ag+ and subsequent cation exchange reactions. Recent studies explored the effects of surface coating aging on nAg aggregation, mobility and dissolution. Following ultraviolet light, nAg retention in water saturated sand increased by 25-50%, while up to 50% of the applied mass eluted as Ag+ compared to less than 1% for un-aged nAg. In batch experiments, the addition of tert-butyl alcohol, a reactive oxygen species scavenger, reduced nAg aggregation and dissolution by up to 50%, indicating that free radical activity played an important role in the surface coating aging. Taken in concert, these findings demonstrate the value of undertaking

Interdisciplinary Research to Elucidate Mechanisms Governing Silver Nanoparticle Fate and Transport in Porous Media

NASA Astrophysics Data System (ADS)

Pennell, K. D.; Mittleman, A.; Taghavy, A.; Fortner, J.; Lantagne, D.; Abriola, L. M.

2015-12-01

Interdisciplinary Research to Elucidate Mechanisms Governing Silver Nanoparticle Fate and Transport in Porous Media Anjuliee M. Mittelman, Amir Taghavy, Yonggang Wang, John D. Fortner, Daniele S. Lantagne, Linda M. Abriola and Kurt D. Pennell* Detailed knowledge of the processes governing nanoparticle transport and reactivity in porous media is essential for accurate predictions of environmental fate, water and wastewater treatment system performance, and assessment of potential risks to ecosystems and water supplies. To address these issues, an interdisciplinary research team combined experimental and mathematical modeling studies to investigate the mobility, dissolution, and aging of silver nanoparticles (nAg) in representative aquifer materials and ceramic filters. Results of one-dimensional column studies, conducted with water-saturated sands maintained at pH 4 or 7 and three levels of dissolved oxygen (DO), revealed that fraction of silver mass eluted as Ag+ increased with increasing DO level, and that the dissolution of attached nAg decreased over time as a result of surface oxidation. A hybrid Eulerain-Lagragian nanoparticle transport model, which incorporates DO-dependent dissolution kinetics and particle aging, was able to accurately simulate nAg mobility and Ag+ release measured in the column experiments. Model sensitivity analysis indicated that as the flow velocity and particle size decrease, nAg dissolution and Ag+ transport processes increasingly govern silver mobility. Consistent results were obtained in studies of ceramic water filters treated with nAg, where silver elution was shown to be governed by nAg dissolution to form Ag+ and subsequent cation exchange reactions. Recent studies explored the effects of surface coating aging on nAg aggregation, mobility and dissolution. Following ultraviolet light, nAg retention in water saturated sand increased by 25-50%, while up to 50% of the applied mass eluted as Ag+ compared to less than 1% for un-aged nAg. In batch experiments, the addition of tert-butyl alcohol, a reactive oxygen species scavenger, reduced nAg aggregation and dissolution by up to 50%, indicating that free radical activity played an important role in the surface coating aging. Taken in concert, these findings demonstrate the value of undertaking

Mesoscale simulation of concrete spall failure

NASA Astrophysics Data System (ADS)

Knell, S.; Sauer, M.; Millon, O.; Riedel, W.

2012-05-01

Although intensively studied, it is still being debated which physical mechanisms are responsible for the increase of dynamic strength and fracture energy of concrete observed at high loading rates, and to what extent structural inertia forces on different scales contribute to the observation. We present a new approach for the three dimensional mesoscale modelling of dynamic damage and cracking in concrete. Concrete is approximated as a composite of spherical elastic aggregates of mm to cm size embedded in an elastic cement stone matrix. Cracking within the matrix and at aggregate interfaces in the μm range are modelled with adaptively inserted—initially rigid—cohesive interface elements. The model is applied to analyse the dynamic tensile failure observed in Hopkinson-Bar spallation experiments with strain rates up to 100/s. The influence of the key mesoscale failure parameters of strength, fracture energy and relative weakening of the ITZ on macromechanic strength, momentum and energy conservation is numerically investigated.

A model for predicting the shear bearing capacity of FRP-strengthened beams

NASA Astrophysics Data System (ADS)

Sas, G.; Carolin, A.; Täljsten, B.

2008-05-01

The shear failure of reinforced concrete beams needs more attention than the bending failure since no or only small warning precedes the failure. For this reason, it is of utmost importance to understand the shear bearing capacity and also to be able to undertake significant rehabilitation work if necessary. In this paper, a design model for the shear strengthening of concrete beams by using fiber-reinforced polymers (FRP) is presented, and the limitations of the truss model analogy are highlighted. The fracture mechanics approach is used in analyzing the bond behavior between the FRP composites and concrete. The fracture energy of concrete and the axial rigidity of the FRP are considered to be the most important parameters. The effective strain in the FRP when the debonding occurs is determined. The limitations of the anchorage length over the cross section are analyzed. A simple iterative design method for the shear debonding is finally proposed.

A multiscale model for reinforced concrete with macroscopic variation of reinforcement slip

NASA Astrophysics Data System (ADS)

Sciegaj, Adam; Larsson, Fredrik; Lundgren, Karin; Nilenius, Filip; Runesson, Kenneth

2018-06-01

A single-scale model for reinforced concrete, comprising the plain concrete continuum, reinforcement bars and the bond between them, is used as a basis for deriving a two-scale model. The large-scale problem, representing the "effective" reinforced concrete solid, is enriched by an effective reinforcement slip variable. The subscale problem on a Representative Volume Element (RVE) is defined by Dirichlet boundary conditions. The response of the RVEs of different sizes was investigated by means of pull-out tests. The resulting two-scale formulation was used in an FE^2 analysis of a deep beam. Load-deflection relations, crack widths, and strain fields were compared to those obtained from a single-scale analysis. Incorporating the independent macroscopic reinforcement slip variable resulted in a more pronounced localisation of the effective strain field. This produced a more accurate estimation of the crack widths than the two-scale formulation neglecting the effective reinforcement slip variable.

Recent Advances in Understanding Radiation Damage in Reactor Cavity Concrete

DOE Office of Scientific and Technical Information (OSTI.GOV)

Rosseel, Thomas M; Field, Kevin G; Le Pape, Yann

License renewal up to 60 years and the possibility of subsequent license renewal to 80 years has resulted in a renewed focus on long-term aging of materials at nuclear power plants (NPPs) including concrete. Large irreplaceable sections of most nuclear generating stations include concrete. The Expanded Materials Degradation Analysis, jointly performed by the Department of Energy, the Nuclear Regulatory Commission and Nuclear Industry, identified the urgent need to develop a consistent knowledge base on irradiation effects in concrete (Graves et al., (2014)). Much of the historical mechanical performance data of irradiated concrete (Hilsdorf et al., (1978)) does not accurately reflectmore » typical radiation conditions in NPPs or conditions out to 60 or 80 years of radiation exposure (Kontani et al., (2011)). To address these potential gaps in the knowledge base, the Electric Power Research Institute and Oak Ridge National Laboratory, are working to better understand radiation damage as a degradation mechanism. This paper outlines recent progress toward: 1) assessing the radiation environment in concrete biological shields and defining the upper bound of the neutron and gamma dose levels expected in the biological shield for extended operation, and estimating adsorbed dose, 2) evaluating opportunities to harvest and test irradiated concrete from international NPPs, 3) evaluating opportunities to irradiate prototypical concrete and its components under accelerated neutron and gamma dose levels to establish conservative bounds and inform damage models, 4) developing improved models to enhance the understanding of the effects of radiation on concrete and 5) establishing an international collaborative research and information exchange effort to leverage capabilities and knowledge including developing cooperative test programs to improve confidence in data obtained from various concretes and from accelerated irradiation experiments.« less

FY2017 ILAW Glass Corrosion Testing with the Single-Pass Flow-Through Method

DOE Office of Scientific and Technical Information (OSTI.GOV)

Neeway, James J.; Asmussen, Robert M.; Cordova, Elsa

The inventory of immobilized low-activity waste (ILAW) produced at the Hanford Tank Waste Treatment and Immobilization Plant (WTP) will be disposed of at the near-surface, on-site Integrated Disposal Facility (IDF). When groundwater comes into contact with the waste form, the glass will corrode and radionuclides will be released into the near-field environment. Because the release of the radionuclides is dependent on the dissolution rate of the glass, it is important that the performance assessment (PA) model accounts for the dissolution rate of the glass as a function of various conditions. To accomplish this, an IDF PA glass dissolution model basedmore » on Transition State Theory (TST) can be employed. The model is able to account for changes in temperature, exposed surface area, and pH of the contacting solution as well as the effect of silicon solution concentrations, specifically the activity of orthosilicic acid (H4SiO4), whose concentration is directly linked to the glass dissolution rate. In addition, the IDF PA model accounts for the ion exchange process. The effect of temperature, pH, H4SiO4 activity, and the rate of ion exchange can be parameterized and implemented directly into the PA rate model. The rate model parameters are derived from laboratory tests with the single-pass flow-through (SPFT) method. The provided data can be used by glass researchers to further the understanding of ILAW glass behavior, by IDF PA modelers to use the rate model parameters in PA modeling efforts, and by Department of Energy (DOE) contractors and decision makers as they assess the IDF PA program.« less

Stress Regression Analysis of Asphalt Concrete Deck Pavement Based on Orthogonal Experimental Design and Interlayer Contact

NASA Astrophysics Data System (ADS)

Wang, Xuntao; Feng, Jianhu; Wang, Hu; Hong, Shidi; Zheng, Supei

2018-03-01

A three-dimensional finite element box girder bridge and its asphalt concrete deck pavement were established by ANSYS software, and the interlayer bonding condition of asphalt concrete deck pavement was assumed to be contact bonding condition. Orthogonal experimental design is used to arrange the testing plans of material parameters, and an evaluation of the effect of different material parameters in the mechanical response of asphalt concrete surface layer was conducted by multiple linear regression model and using the results from the finite element analysis. Results indicated that stress regression equations can well predict the stress of the asphalt concrete surface layer, and elastic modulus of waterproof layer has a significant influence on stress values of asphalt concrete surface layer.

Model Manipulation and Learning: Fostering Representational Competence with Virtual and Concrete Models

ERIC Educational Resources Information Center

Stull, Andrew T.; Hegarty, Mary

2016-01-01

This study investigated the development of representational competence among organic chemistry students by using 3D (concrete and virtual) models as aids for teaching students to translate between multiple 2D diagrams. In 2 experiments, students translated between different diagrams of molecules and received verbal feedback in 1 of the following 3…

Properties of concrete with tire derived aggregate and crumb rubber as a lighthweight substitute for mineral aggregates in the concrete mix

NASA Astrophysics Data System (ADS)

Siringi, Gideon Momanyi

Scrap tires continue to be a nuisance to the environment and this research proposes one way of recycling them as a lightweight aggregate which can substitute for mineral aggregates in concrete. Aggregates derived from scrap tires are often referred to as Tire Derived Aggregate (TDA). First, the focus is how much mineral aggregate can be replaced by these waste tires and how the properties of concrete are affected with the introduction of rubber. This is being mindful of the fact that for a new material to be acceptable as an engineering material, its properties and behavior has to be well understood, the materials must perform properly and be acceptable to the regulating agencies. The role played by the quantity of TDA and Crumb Rubber replacing coarse aggregate and fine aggregate respectively as well as different treatment and additives in concrete on its properties are examined. Conventional concrete (without TDA) and concrete containing TDA are compared by examining their compressive strength based on ASTM C39, workability based on ASTM C143, Splitting Tensile Strength based on ASTM C496, Modulus of Rupture (flexural strength) based on ASTM C78 and Bond strength of concrete developed with reinforcing steel based on ASTM C234.Through stress-strain plots, the rubberized concrete is compared in terms of change in ductility, toughness and Elastic Modulus. Results indicate that while replacement of mineral aggregates with TDA results in reduction in compressive strength, this may be mitigated by addition of silica fume or using a smaller size of TDA to obtain the desired strength. The greatest benefit of using TDA is in the development of a higher ductile product with lower density while utilizing recycled TDA. From the results, it is observed that 7-10% of weight of mineral aggregates can be replaced by an equal volume of TDA to produce concrete with compressive strength of up to 4000 psi (27.5 MPa). Rubberized concrete would have higher ductility and toughness with better damage tolerance but the Elastic Modulus would be reduced. After evaluation of rubberized concrete at elevated temperatures, it has been found that very high temperature would have adverse effects to the concrete like excessive spalling, pop-outs and cracking on the surface and therefore it is proposed to use this kind of concrete where temperature would not exceed 100°C (212°F) for extended periods. Observation of concrete at microscopic level showed that it consists of three phases; interfacial transition zone (ITZ), bulk hydrated cement paste and aggregate. The ITZ was seen to contain micro pores and microcracks and was considered the weakest phase in concrete therefore exercises a far greater influence on the mechanical behavior of concrete than is reflected by its size. Existence of the ITZ explains why concrete strength is lower and behaves inelastically while the aggregate and cement paste if tested separately behave elastically and have higher strength than concrete. A 3-Dimensional nonlinear Finite Element Model (FEM) for a concrete beam is proposed and developed using ABAQUS. Smeared crack model in ABAQUS is used to define material properties. The developed FEM is capable of predicting the ultimate load, deflections, Stress-deflection/strain curves and crack initiation which are all verified against the experimental tests. ABAQUS was found to be a useful tool for modeling of concrete. In conclusion, this research provides a clear understanding on the effects of using scrap tires as an aggregate in concrete. The pros and cons of TDA are explored, ways of overcoming the shortcomings suggested and a way of predicting concrete properties when using TDA provided.

Effect of Modeling-Based Activities Developed Using Virtual Environments and Concrete Objects on Spatial Thinking and Mental Rotation Skills

ERIC Educational Resources Information Center

Yurt, Eyup; Sunbul, Ali Murat

2012-01-01

In this study, the effect of modeling based activities using virtual environments and concrete objects on spatial thinking and mental rotation skills was investigated. The study was designed as a pretest-posttest model with a control group, which is one of the experimental research models. The study was carried out on sixth grade students…

Dynamic Eigenvalue Problem of Concrete Slab Road Surface

NASA Astrophysics Data System (ADS)

Pawlak, Urszula; Szczecina, Michał

2017-10-01

The paper presents an analysis of the dynamic eigenvalue problem of concrete slab road surface. A sample concrete slab was modelled using Autodesk Robot Structural Analysis software and calculated with Finite Element Method. The slab was set on a one-parameter elastic subsoil, for which the modulus of elasticity was separately calculated. The eigen frequencies and eigenvectors (as maximal vertical nodal displacements) were presented. On the basis of the results of calculations, some basic recommendations for designers of concrete road surfaces were offered.

Dissolution Rate, Weathering Mechanics, and Friability of TNT, Comp B, Tritonal, and Octol

DTIC Science & Technology

2010-02-01

second conceptual model also simulates dissolution of a particle that experiences constant soil moisture such as one mixed in with the soil...or are mediated by moisture on the particle surface is not yet known. The identities of these red products are also unknown as are their health...it using the outdoor data. The model assumes that raindrops intercepted by HE particles were fully saturated in HE as they dripped off. Particle

Effect of CO2 Solubility on Dissolution Rates of Minerals in Porous Media Imbibed with Brine: Actual Efficiency of CO2 Sequestration

NASA Astrophysics Data System (ADS)

Alizadeh Nomeli, M.; Riaz, A.

2016-12-01

A new model is developed for geochemical reactions to access dissolution rate of minerals in saline aquifers with respect to saturated concentration of dissolved CO2 as a function of parameters that are dynamically available during computer program execution such as pressure, temperature, and salinity. A general Arrhenius-type equation, with an explicit dependence on the pH of brine, is employed to determine the rates of mineral dissolution. The amount of dissolved CO2 is determined with the help of an accurate PVTx model for the temperature range of 50-100C and pressures up to 600 bar relevant to the geologic sequestration of CO2. We show how activity coefficients for a given salinity condition alters solubility, pH, and reaction rates. We further evaluate the significance of the pre-exponential factor and the reaction order associated with the modified Arrhenius equation to determine the sensitivity of the reaction rates as a function to the pH of the system. It is found that the model can reasonably reproduce experimental data with new parameters that we obtain from sensitivity studies. Using the new rate equation, we investigate geochemically induced alterations of fracture geometry due to mineral dissolution. Finally, we use our model to evaluate the effects of temperature, pressure, and salinity on the actual efficiency of CO2 storage.

Mechanics Model for Simulating RC Hinges under Reversed Cyclic Loading

PubMed Central

Shukri, Ahmad Azim; Visintin, Phillip; Oehlers, Deric J.; Jumaat, Mohd Zamin

2016-01-01

Describing the moment rotation (M/θ) behavior of reinforced concrete (RC) hinges is essential in predicting the behavior of RC structures under severe loadings, such as under cyclic earthquake motions and blast loading. The behavior of RC hinges is defined by localized slip or partial interaction (PI) behaviors in both the tension and compression region. In the tension region, slip between the reinforcement and the concrete defines crack spacing, crack opening and closing, and tension stiffening. While in the compression region, slip along concrete to concrete interfaces defines the formation and failure of concrete softening wedges. Being strain-based, commonly-applied analysis techniques, such as the moment curvature approach, cannot directly simulate these PI behaviors because they are localized and displacement based. Therefore, strain-based approaches must resort to empirical factors to define behaviors, such as tension stiffening and concrete softening hinge lengths. In this paper, a displacement-based segmental moment rotation approach, which directly simulates the partial interaction behaviors in both compression and tension, is developed for predicting the M/θ response of an RC beam hinge under cyclic loading. Significantly, in order to develop the segmental approach, a partial interaction model to predict the tension stiffening load slip relationship between the reinforcement and the concrete is developed. PMID:28773430

Mechanics Model for Simulating RC Hinges under Reversed Cyclic Loading.

PubMed

Shukri, Ahmad Azim; Visintin, Phillip; Oehlers, Deric J; Jumaat, Mohd Zamin

2016-04-22

Describing the moment rotation (M/θ) behavior of reinforced concrete (RC) hinges is essential in predicting the behavior of RC structures under severe loadings, such as under cyclic earthquake motions and blast loading. The behavior of RC hinges is defined by localized slip or partial interaction (PI) behaviors in both the tension and compression region. In the tension region, slip between the reinforcement and the concrete defines crack spacing, crack opening and closing, and tension stiffening. While in the compression region, slip along concrete to concrete interfaces defines the formation and failure of concrete softening wedges. Being strain-based, commonly-applied analysis techniques, such as the moment curvature approach, cannot directly simulate these PI behaviors because they are localized and displacement based. Therefore, strain-based approaches must resort to empirical factors to define behaviors, such as tension stiffening and concrete softening hinge lengths. In this paper, a displacement-based segmental moment rotation approach, which directly simulates the partial interaction behaviors in both compression and tension, is developed for predicting the M/θ response of an RC beam hinge under cyclic loading. Significantly, in order to develop the segmental approach, a partial interaction model to predict the tension stiffening load slip relationship between the reinforcement and the concrete is developed.

Selecting Tools to Model Integer and Binomial Multiplication

ERIC Educational Resources Information Center

Pratt, Sarah Smitherman; Eddy, Colleen M.

2017-01-01

Mathematics teachers frequently provide concrete manipulatives to students during instruction; however, the rationale for using certain manipulatives in conjunction with concepts may not be explored. This article focuses on area models that are currently used in classrooms to provide concrete examples of integer and binomial multiplication. The…

Marital and Cohabitation Dissolution and Parental Depressive Symptoms in Fragile Families

PubMed Central

Kamp Dush, Claire M.

2013-01-01

The consequences of divorce are pronounced for parents of young children, and cohabitation dissolution is increasing in this population and has important implications. The mental health consequences of union dissolution were examined, by union type and parental gender, using the Fragile Families and Child Wellbeing Study (n = 1,998 for mothers and 1,764 for fathers). Overall, cohabitation and marital dissolution were both associated with increased maternal and paternal depressive symptoms, though for married mothers, depressive symptoms returned to predissolution levels with time. Difference-in-difference estimates indicated no differences in the magnitude of the increase in depressive symptoms by type of dissolution, though pooled difference models suggested that married fathers increased in depressive symptoms more than cohabiting fathers. Potential time-variant mediators did not account for these associations, though greater family chaos was associated with increased maternal depressive symptoms, and decreased social support and father – child contact were associated with increased paternal depressive symptoms. PMID:23671351

In Sickness and in Health? Physical Illness as a Risk Factor for Marital Dissolution in Later Life

PubMed Central

Karraker, Amelia; Latham, Kenzie

2016-01-01

The health consequences of marital dissolution are well-known, but little work has examined the impact of health on the risk of marital dissolution. In this study we use a sample of 2,701 marriages from the Health and Retirement Study (HRS; 1992–2010) to examine the role of serious physical illness onset (i.e., cancer, heart problems, lung disease, and/or stroke) in subsequent marital dissolution due to either divorce or widowhood. We use a series of discrete-time event history models with competing risks to estimate the impact of husband’s and wife’s physical illness onset on risk of divorce and widowhood. We find that only wife’s illness onset is associated with elevated risk of divorce, while either husband’s or wife’s illness onset is associated with elevated risk of widowhood. These findings suggest the importance of health as a determinant of marital dissolution in later life via both biological and gendered social pathways. PMID:26315504

In Sickness and in Health? Physical Illness as a Risk Factor for Marital Dissolution in Later Life.

PubMed

Karraker, Amelia; Latham, Kenzie

2015-09-01

The health consequences of marital dissolution are well known, but little work has examined the impact of health on the risk of marital dissolution. We use a sample of 2,701 marriages from the Health and Retirement Study to examine the role of serious physical illness onset in subsequent marital dissolution via either divorce or widowhood. We use a series of discrete time event history models with competing risks to estimate the impact of husband's and wife's physical illness onset on risk of divorce and widowhood. We find that only measures of wife's illness onset are associated with elevated risk of divorce, while measures of either spouse's illness onset is associated with elevated risk of widowhood. Further, in the case of heart problems, we find that this gender difference is statistically significant. These findings suggest health as a determinant of marital dissolution in later life via both biological and gendered social pathways. © American Sociological Association 2015.

Melts of Octaacetyl Sucrose as Oral-Modified Release Dosage Forms for Delivery of Poorly Soluble Compound in Stable Amorphous Form.

PubMed

Haznar-Garbacz, Dorota; Kaminska, Ewa; Zakowiecki, Daniel; Lachmann, Marek; Kaminski, Kamil; Garbacz, Grzegorz; Dorożyński, Przemysław; Kulinowski, Piotr

2018-02-01

The presented work describes the formulation and characterization of modified release glassy solid dosage forms (GSDFs) containing an amorphous nifedipine, as a model BCS (Biopharmaceutical Classification System) class II drug. The GSDFs were prepared by melting nifedipine together with octaacetyl sucrose. Dissolution profiles, measured under standard and biorelevant conditions, were compared to those obtained from commercially available formulations containing nifedipine such as modified release (MR) tablets and osmotic release oral system (OROS). The results indicate that the dissolution profiles of the GSDFs with nifedipine are neither affected by the pH of the dissolution media, type and concentration of surfactants, nor by simulated mechanical stress of biorelevant intensity. Furthermore, it was found that the dissolution profiles of the novel dosage forms were similar to the profiles obtained from the nifedipine OROS. The formulation of GSDFs is relatively simple, and the dosage forms were found to have favorable dissolution characteristics.

Dissolution of methane bubbles with hydrate armoring in deep ocean conditions

NASA Astrophysics Data System (ADS)

Kovalchuk, Margarita; Socolofsky, Scott

2017-11-01

The deep ocean is a storehouse of natural gas. Methane bubble moving upwards from marine sediments may become trapped in gas hydrates. It is uncertain precisely how hydrate armoring affects dissolution, or mass transfer from the bubble to the surrounding water column. The Texas A&M Oilspill Calculator was used to simulate a series of gas bubble dissolution experiments conducted in the United States Department of Energy National Energy Technology Laboratory High Pressure Water Tunnel. Several variations of the mass transfer coefficient were calculated based on gas or hydrate phase solubility and clean or dirty bubble correlations. Results suggest the mass transfer coefficient may be most closely modeled with gas phase solubility and dirty bubble correlation equations. Further investigation of hydrate bubble dissolution behavior will refine current numeric models which aid in understanding gas flux to the atmosphere and plumes such as oil spills. Research funded in part by the Texas A&M University 2017 Undergraduate Summer Research Grant and a Grant from the Methane Gas Hydrates Program of the US DOE National Energy Technology Laboratory.

The Usability of Rock-Like Materials for Numerical Studies on Rocks

NASA Astrophysics Data System (ADS)

Zengin, Enes; Abiddin Erguler, Zeynal

2017-04-01

The approaches of synthetic rock material and mass are widely used by many researchers for understanding the failure behavior of different rocks. In order to model the failure behavior of rock material, researchers take advantageous of different techniques and software. But, the majority of all these instruments are based on distinct element method (DEM). For modeling the failure behavior of rocks, and so to create a fundamental synthetic rock material model, it is required to perform related laboratory experiments for providing strength parameters. In modelling studies, model calibration processes are performed by using parameters of intact rocks such as porosity, grain size, modulus of elasticity and Poisson ratio. In some cases, it can be difficult or even impossible to acquire representative rock samples for laboratory experiments from heavily jointed rock masses and vuggy rocks. Considering this limitation, in this study, it was aimed to investigate the applicability of rock-like material (e.g. concrete) to understand and model the failure behavior of rock materials having complex inherent structures. For this purpose, concrete samples having a mixture of %65 cement dust and %35 water were utilized. Accordingly, intact concrete samples representing rocks were prepared in laboratory conditions and their physical properties such as porosity, pore size and density etc. were determined. In addition, to acquire the mechanical parameters of concrete samples, uniaxial compressive strength (UCS) tests were also performed by simultaneously measuring strain during testing. The measured physical and mechanical properties of these extracted concrete samples were used to create synthetic material and then uniaxial compressive tests were modeled and performed by using two dimensional discontinuum program known as Particle Flow Code (PFC2D). After modeling studies in PFC2D, approximately similar failure mechanism and testing results were achieved from both experimental and artificial simulations. The results obtained from these laboratory tests and modelling studies were compared with the other researcher's studies in respect to failure mechanism of different type of rocks. It can be concluded that there is similar failure mechanism between concrete and rock materials. Therefore, the results obtained from concrete samples that would be prepared at different porosity and pore sizes can be used in future studies in selection micro-mechanical and physical properties to constitute synthetic rock materials for understanding failure mechanism of rocks having complex inherent structures such as vuggy rocks or heavily jointed rock masses.

Modelling the behaviour of steel fibre reinforced precast beam-to-column connection

NASA Astrophysics Data System (ADS)

Chai, C. E.; Sarbini, NN; Ibrahim, I. S.; Ma, C. K.; Tajol Anuar, M. Z.

2017-11-01

The numerical behaviour of steel fibre reinforced concrete (SFRC) corbels reinforced with different fibre volume ratio subjected to vertical incremental load is presented in this paper. Precast concrete structures had become popular in the construction field, which offer a faster, neater, safer, easier and cheaper construction work. The construction components are prefabricated in controlled environment under strict supervision before being erected on site. However, precast beam-column connections are prone to failure due to the brittle properties of concrete. Finite element analysis (FEA) is adopted due to the nonlinear behaviour of concrete and SFRC. The key objective of this research is to develop a reliable nonlinear FEA model to represent the behaviour of reinforced concrete corbel. The developed model is validated with experimental data from previous researches. Then, the validated FEA model is used to predict the behaviour of SFRC corbel reinforced with different fibre volume ratio by changing the material parameters. The results show that the addition of steel fibre (SF) increases the load carrying capacity, ductility, stiffness, and changed the failure mode of corbel from brittle bending-shear to flexural ductile. On the other hand, the increasing of SF volume ratio also leads to increased load carrying capacity, ductility, and stiffness of corbel.

Translational Response of Toe-Restrained Retaining Walls to Earthquake Ground Motions Using CorpsWallSlip (CWSlip)

DTIC Science & Technology

2007-06-01

corresponding software developed for the translational response of rock- founded retaining walls buttressed at their toe by a reinforced concrete slab...by a Reinforced Concrete Slab ...........................................................................................................32 2.1...2.5 New translational analysis model of a wall retaining a partially submerged backfill and buttressed by a reinforced concrete slab

Space geodetic monitoring of engineered structures: The ongoing destabilization of the Mosul dam, Iraq.

PubMed

Milillo, Pietro; Bürgmann, Roland; Lundgren, Paul; Salzer, Jacqueline; Perissin, Daniele; Fielding, Eric; Biondi, Filippo; Milillo, Giovanni

2016-12-06

We present a detailed survey of the ongoing destabilization process of the Mosul dam. The dam is located on the Tigris river and is the biggest hydraulic structure in Iraq. From a geological point of view the dam foundation is poor due to a site geology formed by alternating strata of highly soluble materials including gypsum, anhydrite, marl and limestone. Here we present the first multi-sensor cumulative deformation map for the dam generated from space-based interferometric synthetic aperture radar measurements from the Italian constellation COSMO-SkyMed and the European sensor Sentinel-1a over the period 2014-2016 that we compare to an older dataset spanning 2004-2010 acquired with the European Envisat satellite. We found that deformation was rapid during 2004-2010, slowed in 2012-2014 and increased since August 2014 when grouting operations stopped due to the temporary capture of the dam by the self proclaimed Islamic State. We model the inferred deformation using a Markov chain Monte Carlo approach to solve for change in volume for simple tensile dislocations. Results from recent and historical geodetic datasets suggests that the volume dissolution rate remains constant when the equivalent volume of total concrete injected during re-grouting operations is included in the calculations.

Space geodetic monitoring of engineered structures: The ongoing destabilization of the Mosul dam, Iraq

PubMed Central

Milillo, Pietro; Bürgmann, Roland; Lundgren, Paul; Salzer, Jacqueline; Perissin, Daniele; Fielding, Eric; Biondi, Filippo; Milillo, Giovanni

2016-01-01

We present a detailed survey of the ongoing destabilization process of the Mosul dam. The dam is located on the Tigris river and is the biggest hydraulic structure in Iraq. From a geological point of view the dam foundation is poor due to a site geology formed by alternating strata of highly soluble materials including gypsum, anhydrite, marl and limestone. Here we present the first multi-sensor cumulative deformation map for the dam generated from space-based interferometric synthetic aperture radar measurements from the Italian constellation COSMO-SkyMed and the European sensor Sentinel-1a over the period 2014–2016 that we compare to an older dataset spanning 2004–2010 acquired with the European Envisat satellite. We found that deformation was rapid during 2004–2010, slowed in 2012–2014 and increased since August 2014 when grouting operations stopped due to the temporary capture of the dam by the self proclaimed Islamic State. We model the inferred deformation using a Markov chain Monte Carlo approach to solve for change in volume for simple tensile dislocations. Results from recent and historical geodetic datasets suggests that the volume dissolution rate remains constant when the equivalent volume of total concrete injected during re-grouting operations is included in the calculations. PMID:27922128

Space geodetic monitoring of engineered structures: The ongoing destabilization of the Mosul dam, Iraq

NASA Astrophysics Data System (ADS)

Milillo, Pietro; Bürgmann, Roland; Lundgren, Paul; Salzer, Jacqueline; Perissin, Daniele; Fielding, Eric; Biondi, Filippo; Milillo, Giovanni

2016-12-01

We present a detailed survey of the ongoing destabilization process of the Mosul dam. The dam is located on the Tigris river and is the biggest hydraulic structure in Iraq. From a geological point of view the dam foundation is poor due to a site geology formed by alternating strata of highly soluble materials including gypsum, anhydrite, marl and limestone. Here we present the first multi-sensor cumulative deformation map for the dam generated from space-based interferometric synthetic aperture radar measurements from the Italian constellation COSMO-SkyMed and the European sensor Sentinel-1a over the period 2014-2016 that we compare to an older dataset spanning 2004-2010 acquired with the European Envisat satellite. We found that deformation was rapid during 2004-2010, slowed in 2012-2014 and increased since August 2014 when grouting operations stopped due to the temporary capture of the dam by the self proclaimed Islamic State. We model the inferred deformation using a Markov chain Monte Carlo approach to solve for change in volume for simple tensile dislocations. Results from recent and historical geodetic datasets suggests that the volume dissolution rate remains constant when the equivalent volume of total concrete injected during re-grouting operations is included in the calculations.

Modified chloride diffusion model for concrete under the coupling effect of mechanical load and chloride salt environment

NASA Astrophysics Data System (ADS)

Lei, Mingfeng; Lin, Dayong; Liu, Jianwen; Shi, Chenghua; Ma, Jianjun; Yang, Weichao; Yu, Xiaoniu

2018-03-01

For the purpose of investigating lining concrete durability, this study derives a modified chloride diffusion model for concrete based on the odd continuation of boundary conditions and Fourier transform. In order to achieve this, the linear stress distribution on a sectional structure is considered, detailed procedures and methods are presented for model verification and parametric analysis. Simulation results show that the chloride diffusion model can reflect the effects of linear stress distribution of the sectional structure on the chloride diffusivity with reliable accuracy. Along with the natural environmental characteristics of practical engineering structures, reference value ranges of model parameters are provided. Furthermore, a chloride diffusion model is extended for the consideration of multi-factor coupling of linear stress distribution, chloride concentration and diffusion time. Comparison between model simulation and typical current research results shows that the presented model can produce better considerations with a greater universality.

Modeling of Compressive Strength for Self-Consolidating High-Strength Concrete Incorporating Palm Oil Fuel Ash

PubMed Central

Safiuddin, Md.; Raman, Sudharshan N.; Abdus Salam, Md.; Jumaat, Mohd. Zamin

2016-01-01

Modeling is a very useful method for the performance prediction of concrete. Most of the models available in literature are related to the compressive strength because it is a major mechanical property used in concrete design. Many attempts were taken to develop suitable mathematical models for the prediction of compressive strength of different concretes, but not for self-consolidating high-strength concrete (SCHSC) containing palm oil fuel ash (POFA). The present study has used artificial neural networks (ANN) to predict the compressive strength of SCHSC incorporating POFA. The ANN model has been developed and validated in this research using the mix proportioning and experimental strength data of 20 different SCHSC mixes. Seventy percent (70%) of the data were used to carry out the training of the ANN model. The remaining 30% of the data were used for testing the model. The training of the ANN model was stopped when the root mean square error (RMSE) and the percentage of good patterns was 0.001 and ≈100%, respectively. The predicted compressive strength values obtained from the trained ANN model were much closer to the experimental values of compressive strength. The coefficient of determination (R2) for the relationship between the predicted and experimental compressive strengths was 0.9486, which shows the higher degree of accuracy of the network pattern. Furthermore, the predicted compressive strength was found very close to the experimental compressive strength during the testing process of the ANN model. The absolute and percentage relative errors in the testing process were significantly low with a mean value of 1.74 MPa and 3.13%, respectively, which indicated that the compressive strength of SCHSC including POFA can be efficiently predicted by the ANN. PMID:28773520

Modeling of Compressive Strength for Self-Consolidating High-Strength Concrete Incorporating Palm Oil Fuel Ash.

PubMed

Safiuddin, Md; Raman, Sudharshan N; Abdus Salam, Md; Jumaat, Mohd Zamin

2016-05-20

Modeling is a very useful method for the performance prediction of concrete. Most of the models available in literature are related to the compressive strength because it is a major mechanical property used in concrete design. Many attempts were taken to develop suitable mathematical models for the prediction of compressive strength of different concretes, but not for self-consolidating high-strength concrete (SCHSC) containing palm oil fuel ash (POFA). The present study has used artificial neural networks (ANN) to predict the compressive strength of SCHSC incorporating POFA. The ANN model has been developed and validated in this research using the mix proportioning and experimental strength data of 20 different SCHSC mixes. Seventy percent (70%) of the data were used to carry out the training of the ANN model. The remaining 30% of the data were used for testing the model. The training of the ANN model was stopped when the root mean square error (RMSE) and the percentage of good patterns was 0.001 and ≈100%, respectively. The predicted compressive strength values obtained from the trained ANN model were much closer to the experimental values of compressive strength. The coefficient of determination ( R ²) for the relationship between the predicted and experimental compressive strengths was 0.9486, which shows the higher degree of accuracy of the network pattern. Furthermore, the predicted compressive strength was found very close to the experimental compressive strength during the testing process of the ANN model. The absolute and percentage relative errors in the testing process were significantly low with a mean value of 1.74 MPa and 3.13%, respectively, which indicated that the compressive strength of SCHSC including POFA can be efficiently predicted by the ANN.

Investigating the functional neuroanatomy of concrete and abstract word processing through direct electric stimulation (DES) during awake surgery.

PubMed

Orena, E F; Caldiroli, D; Acerbi, F; Barazzetta, I; Papagno, C

2018-06-05

Neuropsychological, neuroimaging and electrophysiological studies demonstrate that abstract and concrete word processing relies not only on the activity of a common bilateral network but also on dedicated networks. The neuropsychological literature has shown that a selective sparing of abstract relative to concrete words can be documented in lesions of the left anterior temporal regions. We investigated concrete and abstract word processing in 10 patients undergoing direct electrical stimulation (DES) for brain mapping during awake surgery in the left hemisphere. A lexical decision and a concreteness judgment task were added to the neuropsychological assessment during intra-operative monitoring. On the concreteness judgment, DES delivered over the inferior frontal gyrus significantly decreased abstract word accuracy while accuracy for concrete words decreased when the anterior temporal cortex was stimulated. These results are consistent with a lexical-semantic model that distinguishes between concrete and abstract words related to different neural substrates in the left hemisphere.

Design and testing of tubular polymeric capsules for self-healing of concrete

NASA Astrophysics Data System (ADS)

Araújo, M.; Van Tittelboom, K.; Feiteira, J.; Gruyaert, E.; Chatrabhuti, S.; Raquez, J.-M.; Šavija, B.; Alderete, N.; Schlangen, E.; De Belie, N.

2017-10-01

Polymeric healing agents have proven their efficiency to heal cracks in concrete in an autonomous way. However, the bottleneck for valorisation of self-healing concrete with polymeric healing agents is their encapsulation. In the present work, the suitability of polymeric materials such as poly(methyl methacrylate) (PMMA), polystyrene (PS) and poly(lactic acid) (PLA) as carriers for healing agents in self-healing concrete has been evaluated. The durability of the polymeric capsules in different environments (demineralized water, salt water and simulated concrete pore solution) and their compatibility with various healing agents have been assessed. Next, a numerical model was used to simulate capsule rupture when intersected by a crack in concrete and validated experimentally. Finally, two real-scale self-healing concrete beams were made, containing the selected polymeric capsules (with the best properties regarding resistance to concrete mixing and breakage upon crack formation) or glass capsules and a reference beam without capsules. The self-healing efficiency was determined after crack creation by 3-point-bending tests.

Effect of notch position on fracture energy for foamed concrete

NASA Astrophysics Data System (ADS)

Naqiuddin Zamri, Mohd; Rahman, Norashidah Abd; Jaini, Zainorizuan Mohd; Shamila Bahador, Nurul

2017-11-01

Foamed concrete is one of the lightweight concrete used to replace normal concrete. Foamed concrete has potential as a building construction material in Malaysia due to low density range. However, the behavior of fracture energy on foamed concrete still under investigation. Therefore, a study to determine the fracture energy of foamed concrete was conducted. In this study, foamed concrete fracture energy was obtained using the three-point bending test methods develop by RILEM and Hillerborg. A total of 12 beams with different types of notch and positions of notch were tested on the load-deflection condition. In addition, a total of 9 cube samples were cast to support the result of fracture energy by using model from Bazant and Becq-Giraudon and Comite Euro-International du Beton (CEB). Results showed the far the position of the notch from midpoint, the higher the value of fracture energy. In this study, the value of fracture energy ranges between 15 N/m and 40 N/m.

Parametric Study of Fire Performance of Concrete Filled Hollow Steel Section Columns with Circular and Square Cross-Section

NASA Astrophysics Data System (ADS)

Nurfaidhi Rizalman, Ahmad; Tahir, Ng Seong Yap Mahmood Md; Mohammad, Shahrin

2018-03-01

Concrete filled hollow steel section column have been widely accepted by structural engineers and designers for high rise construction due to the benefits of combining steel and concrete. The advantages of concrete filled hollow steel section column include higher strength, ductility, energy absorption capacity, and good structural fire resistance. In this paper, comparison on the fire performance between circular and square concrete filled hollow steel section column is established. A three-dimensional finite element package, ABAQUS, was used to develop the numerical model to study the temperature development, critical temperature, and fire resistance time of the selected composite columns. Based on the analysis and comparison of typical parameters, the effect of equal cross-sectional size for both steel and concrete, concrete types, and thickness of external protection on temperature distribution and structural fire behaviour of the columns are discussed. The result showed that concrete filled hollow steel section column with circular cross-section generally has higher fire resistance than the square section.

An anisotropic thermomechanical damage model for concrete at transient elevated temperatures.

PubMed

Baker, Graham; de Borst, René

2005-11-15

The behaviour of concrete at elevated temperatures is important for an assessment of integrity (strength and durability) of structures exposed to a high-temperature environment, in applications such as fire exposure, smelting plants and nuclear installations. In modelling terms, a coupled thermomechanical analysis represents a generalization of the computational mechanics of fracture and damage. Here, we develop a fully coupled anisotropic thermomechanical damage model for concrete under high stress and transient temperature, with emphasis on the adherence of the model to the laws of thermodynamics. Specific analytical results are given, deduced from thermodynamics, of a novel interpretation on specific heat, evolution of entropy and the identification of the complete anisotropic, thermomechanical damage surface. The model is also shown to be stable in a computational sense, and to satisfy the laws of thermodynamics.

Numerical Analysis of Effectiveness of Strengthening Concrete Slab in Tension of the Steel-Concrete Composite Beam Using Pretensioned CFRP Strips

NASA Astrophysics Data System (ADS)

Jankowiak, Iwona; Madaj, Arkadiusz

2017-12-01

One of the methods to increase the load carrying capacity of the reinforced concrete (RC) structure is its strengthening by using carbon fiber (CFRP) strips. There are two methods of strengthening using CFRP strips - passive method and active method. In the passive method a strip is applied to the concrete surface without initial strains, unlike in the active method a strip is initially pretensioned before its application. In the case of a steel-concrete composite beam, strips may be used to strengthen the concrete slab located in the tension zone (in the parts of beams with negative bending moments). The finite element model has been developed and validated by experimental tests to evaluate the strengthening efficiency of the composite girder with pretensioned CFRP strips applied to concrete slab in its tension zone.

An Analysis of Radiation Penetration through the U-Shaped Cast Concrete Joints of Concrete Shielding in the Multipurpose Gamma Irradiator of BATAN

NASA Astrophysics Data System (ADS)

Ardiyati, Tanti; Rozali, Bang; Kasmudin

2018-02-01

An analysis of radiation penetration through the U-shaped joints of cast concrete shielding in BATAN’s multipurpose gamma irradiator has been carried out. The analysis has been performed by calculating the radiation penetration through the U-shaped joints of the concrete shielding using MCNP computer code. The U-shaped joints were a new design in massive concrete construction in Indonesia and, in its actual application, it is joined by a bonding agent. In the MCNP simulation model, eight detectors were located close to the observed irradiation room walls of the concrete shielding. The simulation results indicated that the radiation levels outside the concrete shielding was less than the permissible limit of 2.5 μSv/h so that the workers could safely access electrical room, control room, water treatment facility and outside irradiation room. The radiation penetration decreased as the density of material increased.

Dynamic leaching studies of 48 MWd/kgU UO2 commercial spent nuclear fuel under oxic conditions

NASA Astrophysics Data System (ADS)

Serrano-Purroy, D.; Casas, I.; González-Robles, E.; Glatz, J. P.; Wegen, D. H.; Clarens, F.; Giménez, J.; de Pablo, J.; Martínez-Esparza, A.

2013-03-01

The leaching of a high-burn-up spent nuclear fuel (48 MWd/KgU) has been studied in a carbonate-containing solution and under oxic conditions using a Continuously Stirred Tank Flow-Through Reactor (CSTR). Two samples of the fuel, one prepared from the centre of the pellet (labelled CORE) and another one from the fuel pellet periphery, enriched with the so-called High Burn-Up Structure (HBS, labelled OUT) have been used.For uranium and actinides, the results showed that U, Np, Am and Cm gave very similar normalized dissolution rates, while Pu showed slower dissolution rates for both samples. In addition, dissolution rates were consistently two to four times lower for OUT sample compared to CORE sample.Considering the fission products release the main results are that Y, Tc, La and Nd dissolved very similar to uranium; while Cs, Sr, Mo and Rb have up to 10 times higher dissolution rates. Rh, Ru and Zr seemed to have lower dissolution rates than uranium. The lowest dissolution rates were found for OUT sample.Three different contributions were detected on uranium release, modelled and attributed to oxidation layer, fines and matrix release.

Dissolution of coccolithophorid calcite by microzooplankton and copepod grazing

NASA Astrophysics Data System (ADS)

Antia, A. N.; Suffrian, K.; Holste, L.; Müller, M. N.; Nejstgaard, J. C.; Simonelli, P.; Carotenuto, Y.; Putzeys, S.

2008-01-01

Independent of the ongoing acidification of surface seawater, the majority of the calcium carbonate produced in the pelagial is dissolved by natural processes above the lysocline. We investigate to what extent grazing and passage of coccolithophorids through the guts of copepods and the food vacuoles of microzooplankton contribute to calcite dissolution. In laboratory experiments where the coccolithophorid Emiliania huxleyi was fed to the rotifer Brachionus plicatilis, the heterotrophic flagellate Oxyrrhis marina and the copepod Acartia tonsa, calcite dissolution rates of 45-55%, 37-53% and 5-22% of ingested calcite were found. We ascribe higher loss rates in microzooplankton food vacuoles as compared to copepod guts to the strongly acidic digestion and the individual packaging of algal cells. In further experiments, specific rates of calcification and calcite dissolution were also measured in natural populations during the PeECE III mesocosm study under differing ambient pCO2 concentrations. Microzooplankton grazing accounted for between 27 and 70% of the dynamic calcite stock being lost per day, with no measurable effect of CO2 treatment. These measured calcite dissolution rates indicate that dissolution of calcite in the guts of microzooplankton and copepods can account for the calcite losses calculated for the global ocean using budget and model estimates.

Dissolution of solid lipid extrudates in biorelevant media.

PubMed

Witzleb, R; Müllertz, A; Kanikanti, V-R; Hamann, H-J; Kleinebudde, P

2012-01-17

Solid lipid extrudates with the model drug praziquantel were produced with chemically diverse lipids and investigated regarding their dissolution behaviour in different media. The lipids used in this study were glyceryl tripalmitate, glyceryl dibehenate, glyceryl monostearate, cetyl palmitate and solid paraffin. Thermoanalytical and dissolution behaviour was investigated directly after extrusion and after 3 and 6 months open storage at 40°C/75% RH. Dissolution studies were conducted in hydrochloric acid (HCl) pH 1.2 with different levels of polysorbate 20 and with a biorelevant medium containing pancreatic lipase, bile salts and phospholipids. Furthermore, the impact of lipid digestion on drug release was studied using in vitro lipolysis. The release of praziquantel from cetyl palmitate and glyceryl monostearate in the biorelevant medium was much faster than in HCl, whereas there was hardly any difference for the other lipids. It was shown that drug release from glyceryl monostearate matrices is driven by both solubilisation and enzymatic degradation of the lipid, whereas dissolution from cetyl palmitate extrudates is dependent only on solubilisation by surfactants in the medium. Moreover, storage influenced the appearance of the extrudate surface and the dissolution rate for all lipids except solid paraffin. Copyright © 2011 Elsevier B.V. All rights reserved.

A Review: Pharmaceutical and Pharmacokinetic Aspect of Nanocrystalline Suspensions.

PubMed

Shah, Dhaval A; Murdande, Sharad B; Dave, Rutesh H

2016-01-01

Nanocrystals have emerged as a potential formulation strategy to eliminate the bioavailability-related problems by enhancing the initial dissolution rate and moderately super-saturating the thermodynamic solubility. This review contains an in-depth knowledge of, the processing method for formulation, an accurate quantitative assessment of the solubility and dissolution rates and their correlation to observe pharmacokinetic data. Poor aqueous solubility is considered the major hurdle in the development of pharmaceutical compounds. Because of a lack of understanding with regard to the change in the thermodynamic and kinetic properties (i.e., solubility and dissolution rate) upon nanosizing, we critically reviewed the literatures for solubility determination to understand the significance and accuracy of the implemented analytical method. In the latter part, we reviewed reports that have quantitatively studied the effect of the particle size and the surface area change on the initial dissolution rate enhancement using alternative approaches besides the sink condition dissolution. The lack of an apparent relationship between the dissolution rate enhancement and the observed bioavailability are discussed by reviewing the reported in vivo data on animal models along with the particle size and food effect. The review will provide comprehensive information to the pharmaceutical scientist in the area of nanoparticulate drug delivery.

Iron dissolution of dust source materials during simulated acidic processing: the effect of sulfuric, acetic, and oxalic acids.

PubMed

Chen, Haihan; Grassian, Vicki H

2013-09-17

Atmospheric organic acids potentially display different capacities in iron (Fe) mobilization from atmospheric dust compared with inorganic acids, but few measurements have been made on this comparison. We report here a laboratory investigation of Fe mobilization of coal fly ash, a representative Fe-containing anthropogenic aerosol, and Arizona test dust, a reference source material for mineral dust, in pH 2 sulfuric acid, acetic acid, and oxalic acid, respectively. The effects of pH and solar radiation on Fe dissolution have also been explored. The relative capacities of these three acids in Fe dissolution are in the order of oxalic acid > sulfuric acid > acetic acid. Oxalate forms mononuclear bidentate ligand with surface Fe and promotes Fe dissolution to the greatest extent. Photolysis of Fe-oxalate complexes further enhances Fe dissolution with the concomitant degradation of oxalate. These results suggest that ligand-promoted dissolution of Fe may play a more significant role in mobilizing Fe from atmospheric dust compared with proton-assisted processing. The role of atmospheric organic acids should be taken into account in global-biogeochemical modeling to better access dissolved atmospheric Fe deposition flux at the ocean surface.

An Investigation into the Use of Manufactured Sand as a 100% Replacement for Fine Aggregate in Concrete.

PubMed

Pilegis, Martins; Gardner, Diane; Lark, Robert

2016-06-02

Manufactured sand differs from natural sea and river dredged sand in its physical and mineralogical properties. These can be both beneficial and detrimental to the fresh and hardened properties of concrete. This paper presents the results of a laboratory study in which manufactured sand produced in an industry sized crushing plant was characterised with respect to its physical and mineralogical properties. The influence of these characteristics on concrete workability and strength, when manufactured sand completely replaced natural sand in concrete, was investigated and modelled using artificial neural networks (ANN). The results show that the manufactured sand concrete made in this study generally requires a higher water/cement (w/c) ratio for workability equal to that of natural sand concrete due to the higher angularity of the manufactured sand particles. Water reducing admixtures can be used to compensate for this if the manufactured sand does not contain clay particles. At the same w/c ratio, the compressive and flexural strength of manufactured sand concrete exceeds that of natural sand concrete. ANN proved a valuable and reliable method of predicting concrete strength and workability based on the properties of the fine aggregate (FA) and the concrete mix composition.

An Investigation into the Use of Manufactured Sand as a 100% Replacement for Fine Aggregate in Concrete

PubMed Central

Pilegis, Martins; Gardner, Diane; Lark, Robert

2016-01-01

Manufactured sand differs from natural sea and river dredged sand in its physical and mineralogical properties. These can be both beneficial and detrimental to the fresh and hardened properties of concrete. This paper presents the results of a laboratory study in which manufactured sand produced in an industry sized crushing plant was characterised with respect to its physical and mineralogical properties. The influence of these characteristics on concrete workability and strength, when manufactured sand completely replaced natural sand in concrete, was investigated and modelled using artificial neural networks (ANN). The results show that the manufactured sand concrete made in this study generally requires a higher water/cement (w/c) ratio for workability equal to that of natural sand concrete due to the higher angularity of the manufactured sand particles. Water reducing admixtures can be used to compensate for this if the manufactured sand does not contain clay particles. At the same w/c ratio, the compressive and flexural strength of manufactured sand concrete exceeds that of natural sand concrete. ANN proved a valuable and reliable method of predicting concrete strength and workability based on the properties of the fine aggregate (FA) and the concrete mix composition. PMID:28773560

Cementitious Barriers Partnership (CBP): Using the CBP Software Toolbox to Simulate Sulfate Attack and Carbonation of Concrete Structures - 13481

DOE Office of Scientific and Technical Information (OSTI.GOV)

Brown, K.G.; Kosson, D.S.; Garrabrants, A.C.

2013-07-01

The Cementitious Barriers Partnership (CBP) Project is a multi-disciplinary, multi-institutional collaboration supported by the U.S. Department of Energy Office of Tank Waste Management. The CBP project has developed a set of integrated modeling tools and leaching test methods to help improve understanding and prediction of the long-term hydraulic and chemical performance of cementitious materials used in nuclear applications. State-of-the-art modeling tools, including LeachXS{sup TM}/ORCHESTRA and STADIUM{sup R}, were selected for their demonstrated abilities to simulate reactive transport and degradation in cementitious materials. The new U.S. Environmental Protection Agency leaching test methods based on the Leaching Environmental Assessment Framework (LEAF), nowmore » adopted as part of the SW-846 RCRA methods, have been used to help make the link between modeling and experiment. Although each of the CBP tools has demonstrated utility as a standalone product, coupling the models over relevant spatial and temporal solution domains can provide more accurate predictions of cementitious materials behavior over relevant periods of performance. The LeachXS{sup TM}/ORCHESTRA and STADIUM{sup R} models were first linked to the GoldSim Monte Carlo simulator to better and more easily characterize model uncertainties and as a means to coupling the models allowing linking to broader performance assessment evaluations that use CBP results for a source term. Two important degradation scenarios were selected for initial demonstration: sulfate ingress / attack and carbonation of cementitious materials. When sufficient sulfate is present in the pore solution external to a concrete barrier, sulfate can diffuse into the concrete, react with the concrete solid phases, and cause cracking that significantly changes the transport and structural properties of the concrete. The penetration of gaseous carbon dioxide within partially saturated concrete usually initiates a series of carbonation reactions with both dissolved ions and the hydrated cement paste. The carbonation process itself does not have a negative effect, per se, on the paste physical properties and can even result in reduced porosity and can help form a protective layer at the surface of concrete. However, carbonation has been shown to increase leaching of some constituents and can potentially have a detrimental effect on reinforced concrete structures by lowering pH to ca. 9 and de-passivating embedded steel (e.g. rebar) and accelerating corrosion, which are important processes related to high-level waste tank integrity and closure evaluations. The use of the CBP Software Toolbox to simulate these important degradation phenomena for both concrete vaults and high-level waste tanks are demonstrated in this paper. (authors)« less

Combinatorial localized dissolution analysis: Application to acid-induced dissolution of dental enamel and the effect of surface treatments.

PubMed

Parker, Alexander S; Al Botros, Rehab; Kinnear, Sophie L; Snowden, Michael E; McKelvey, Kim; Ashcroft, Alexander T; Carvell, Mel; Joiner, Andrew; Peruffo, Massimo; Philpotts, Carol; Unwin, Patrick R

2016-08-15

A combination of scanning electrochemical cell microscopy (SECCM) and atomic force microscopy (AFM) is used to quantitatively study the acid-induced dissolution of dental enamel. A micron-scale liquid meniscus formed at the end of a dual barrelled pipette, which constitutes the SECCM probe, is brought into contact with the enamel surface for a defined period. Dissolution occurs at the interface of the meniscus and the enamel surface, under conditions of well-defined mass transport, creating etch pits that are then analysed via AFM. This technique is applied to bovine dental enamel, and the effect of various treatments of the enamel surface on acid dissolution (1mM HNO3) is studied. The treatments investigated are zinc ions, fluoride ions and the two combined. A finite element method (FEM) simulation of SECCM mass transport and interfacial reactivity, allows the intrinsic rate constant for acid-induced dissolution to be quantitatively determined. The dissolution of enamel, in terms of Ca(2+) flux ( [Formula: see text] ), is first order with respect to the interfacial proton concentration and given by the following rate law: [Formula: see text] , with k0=0.099±0.008cms(-1). Treating the enamel with either fluoride or zinc ions slows the dissolution rate, although in this model system the partly protective barrier only extends around 10-20nm into the enamel surface, so that after a period of a few seconds dissolution of modified surfaces tends towards that of native enamel. A combination of both treatments exhibits the greatest protection to the enamel surface, but the effect is again transient. Copyright © 2016 Elsevier Inc. All rights reserved.