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Sample records for batch uptake thermodynamic

  1. Exploring the controls of soil biogeochemistry in a restored coastal wetland using object-oriented computer simulations of uptake kinetics and thermodynamic optimization in batch reactors

    NASA Astrophysics Data System (ADS)

    Payn, R. A.; Helton, A. M.; Poole, G.; Izurieta, C.; Bernhardt, E. S.; Burgin, A. J.

    2012-12-01

    Many hypotheses have been proposed to predict patterns of biogeochemical redox reactions based on the availability of electron donors and acceptors and the thermodynamic theory of chemistry. Our objective was to develop a computer model that would allow us to test various alternatives of these hypotheses against data gathered from soil slurry batch reactors, experimental soil perfusion cores, and in situ soil profile observations from the restored Timberlake Wetland in coastal North Carolina, USA. Software requirements to meet this objective included the ability to rapidly develop and compare different hypothetical formulations of kinetic and thermodynamic theory, and the ability to easily change the list of potential biogeochemical reactions used in the optimization scheme. For future work, we also required an object pattern that could easily be coupled with an existing soil hydrologic model. These requirements were met using Network Exchange Objects (NEO), our recently developed object-oriented distributed modeling framework that facilitates simulations of multiple interacting currencies moving through network-based systems. An initial implementation of the object pattern was developed in NEO based on maximizing growth of the microbial community from available dissolved organic carbon. We then used this implementation to build a modeling system for comparing results across multiple simulated batch reactors with varied initial solute concentrations, varied biogeochemical parameters, or varied optimization schemes. Among heterotrophic aerobic and anaerobic reactions, we have found that this model reasonably predicts the use of terminal electron acceptors in simulated batch reactors, where reactions with higher energy yields occur before reactions with lower energy yields. However, among the aerobic reactions, we have also found this model predicts dominance of chemoautotrophs (e.g., nitrifiers) when their electron donor (e.g., ammonium) is abundant, despite the

  2. A thermodynamic formulation of root water uptake

    NASA Astrophysics Data System (ADS)

    Hildebrandt, Anke; Kleidon, Axel; Bechmann, Marcel

    2016-08-01

    By extracting bound water from the soil and lifting it to the canopy, root systems of vegetation perform work. Here we describe how root water uptake can be evaluated thermodynamically and demonstrate that this evaluation provides additional insights into the factors that impede root water uptake. We derive an expression that relates the energy export at the base of the root system to a sum of terms that reflect all fluxes and storage changes along the flow path in thermodynamic terms. We illustrate this thermodynamic formulation using an idealized setup of scenarios with a simple model. In these scenarios, we demonstrate why heterogeneity in soil water distribution and rooting properties affect the impediment of water flow even though the mean soil water content and rooting properties are the same across the scenarios. The effects of heterogeneity can clearly be identified in the thermodynamics of the system in terms of differences in dissipative losses and hydraulic energy, resulting in an earlier start of water limitation in the drying cycle. We conclude that this thermodynamic evaluation of root water uptake conveniently provides insights into the impediments of different processes along the entire flow path, which goes beyond resistances and also accounts for the role of heterogeneity in soil water distribution.

  3. A thermodynamic formulation of root water uptake

    NASA Astrophysics Data System (ADS)

    Hildebrandt, A.; Kleidon, A.; Bechmann, M.

    2015-12-01

    By extracting bound water from the soil and lifting it to the canopy, root systems of vegetation perform work. Here we describe how the energetics involved in root water uptake can be quantified. The illustration is done using a simple, four-box model of the soil-root system to represent heterogeneity and a parameterization in which root water uptake is driven by the xylem potential of the plant with a fixed flux boundary condition. We use this approach to evaluate the effects of soil moisture heterogeneity and root system properties on the dissipative losses and export of energy involved in root water uptake. For this, we derive an expression that relates the energy export at the root collar to a sum of terms that reflect all fluxes and storage changes along the flow path in thermodynamic terms. We conclude that such a thermodynamic evaluation of root water uptake conveniently provides insights into the impediments of different processes along the entire flow path and explicitly accounting not only for the resistances along the flow path and those imposed by soil drying but especially the role of heterogenous soil water distribution. The results show that least energy needs to be exported and dissipative losses are minimized by a root system if it extracts water uniformly from the soil. This has implications for plant water relations in forests where canopies generate heterogenous input patterns. Our diagnostic in the energy domain should be useful in future model applications for quantifying how plants can evolve towards greater efficiency in their structure and function, particularly in heterogenous soil environments. Generally, this approach may help to better describe heterogeneous processes in the soil in a simple, yet physically-based way.

  4. Modeling of batch sorber system: kinetic, mechanistic, and thermodynamic modeling

    NASA Astrophysics Data System (ADS)

    Mishra, Vishal

    2016-09-01

    The present investigation has dealt with the biosorption of copper and zinc ions on the surface of egg-shell particles in the liquid phase. Various rate models were evaluated to elucidate the kinetics of copper and zinc biosorptions, and the results indicated that the pseudo-second-order model was more appropriate than the pseudo-first-order model. The curve of the initial sorption rate versus the initial concentration of copper and zinc ions also complemented the results of the pseudo-second-order model. Models used for the mechanistic modeling were the intra-particle model of pore diffusion and Bangham's model of film diffusion. The results of the mechanistic modeling together with the values of pore and film diffusivities indicated that the preferential mode of the biosorption of copper and zinc ions on the surface of egg-shell particles in the liquid phase was film diffusion. The results of the intra-particle model showed that the biosorption of the copper and zinc ions was not dominated by the pore diffusion, which was due to macro-pores with open-void spaces present on the surface of egg-shell particles. The thermodynamic modeling reproduced the fact that the sorption of copper and zinc was spontaneous, exothermic with the increased order of the randomness at the solid-liquid interface.

  5. UPTAKE OF HEAVY METALS IN BATCH SYSTEMS BY A RECYCLED IRON-BEARING MATERIAL

    EPA Science Inventory

    An iron-bearing material deriving from surface finishing operations in the manufacturing of cast-iron components demonstrates potential for removal of heavy metals from aqueous waste streams. Batch isotherm and rate experiments were conducted for uptake of cadmium, zinc, and lead...

  6. UPTAKE OF HEAVY METALS IN BATCH SYSTEMS BY A RECYCLED IRON-BEARING MATERIAL

    EPA Science Inventory

    An iron-bearing material deriving from surface finishing operations in the manufacturing of cast-iron components demonstrates potential for removal of heavy metals from aqueous waste streams. Batch isotherm and rate experiments were conducted for uptake of cadmium, zinc, and lead...

  7. Adaptation of the pore diffusion model to describe multi-addition batch uptake high-throughput screening experiments.

    PubMed

    Traylor, Steven J; Xu, Xuankuo; Li, Yi; Jin, Mi; Li, Zheng Jian

    2014-11-14

    Equilibrium isotherm and kinetic mass transfer measurements are critical to mechanistic modeling of binding and elution behavior within a chromatographic column. However, traditional methods of measuring these parameters are impractically time- and labor-intensive. While advances in high-throughput robotic liquid handling systems have created time and labor-saving methods of performing kinetic and equilibrium measurements of proteins on chromatographic resins in a 96-well plate format, these techniques continue to be limited by physical constraints on protein addition, incubation and separation times; the available concentration of protein stocks and process pools; and practical constraints on resin and fluid volumes in the 96-well format. In this study, a novel technique for measuring protein uptake kinetics (multi-addition batch uptake) has been developed to address some of these limitations during high-throughput batch uptake kinetic measurements. This technique uses sequential additions of protein stock to chromatographic resin in a 96-well plate and the subsequent removal of each addition by centrifugation or vacuum separation. The pore diffusion model was adapted here to model multi-addition batch uptake and was tested and compared with traditional batch uptake measurements of uptake of an Fc-fusion protein on an anion exchange resin. Acceptable agreement between the two techniques is achieved for the two solution conditions investigated here. In addition, a sensitivity analysis of the model to the physical inputs is presented and the advantages and limitations of the multi-addition batch uptake technique are explored. Copyright © 2014 Elsevier B.V. All rights reserved.

  8. Batch sorption and spectroscopic speciation studies of neptunium uptake by montmorillonite and corundum

    NASA Astrophysics Data System (ADS)

    Elo, O.; Müller, K.; Ikeda-Ohno, A.; Bok, F.; Scheinost, A. C.; Hölttä, P.; Huittinen, N.

    2017-02-01

    Detailed information on neptunium(V) speciation on montmorillonite and corundum surfaces was obtained by batch sorption and desorption studies combined with surface complexation modelling using the Diffuse Double-Layer (DDL) model, in situ time-resolved Attenuated Total Reflection Fourier-Transform Infrared (ATR FT-IR) and X-ray absorption (XAS) spectroscopies. The pH-dependent batch sorption studies and the spectroscopic investigations were conducted under carbonate-free conditions in 10 mM NaClO4 or 10 mM NaCl. Solid concentrations of 0.5 g/l and 5 g/l were used depending on the experiment. The neptunium(V) desorption from the two mineral surfaces was investigated at pH values ranging from 8 to 10, using the replenishment technique. Neptunium(V) was found to desorb from the mineral surface, however, the extent of desorption was dependent on the solution pH. The desorption of neptunium(V) was confirmed in the ATR FT-IR spectroscopic studies at pH 10, where all of the identified inner-sphere complexed neptunium(V), characterized by a vibrational band at 790 cm-1, was desorbed from both mineral surfaces upon flushing the mineral films with a blank electrolyte solution. In XAS investigations of neptunium(V) uptake by corundum, the obtained structural parameters confirm the formation of an inner-sphere complex adsorbed on the surface in a bidentate fashion. As the inner-sphere complexes found in the IR-studies are characterized by identical sorption bands on both corundum and montmorillonite, we tentatively assigned the neptunium(V) inner-sphere complex on montmorillonite to the same bidentate complex found on corundum in the XAS investigations. Finally, the obtained batch sorption and spectroscopic results were modelled with surface complexation modelling to explain the neptunium(V) speciation on montmorillonite over the entire investigated pH range. The modelling results show that cation exchange in the interlayer space as well as two pH-dependent surface complexes

  9. Thermodynamic formalism of water uptakes on solid porous adsorbents for adsorption cooling applications

    NASA Astrophysics Data System (ADS)

    Sun, Baichuan; Chakraborty, Anutosh

    2014-05-01

    This Letter presents a thermodynamic formulation to calculate the amount of water vapor uptakes on various adsorbents such as zeolites, metal organic frameworks, and silica gel for the development of an advanced adsorption chiller. This formalism is developed from the rigor of the partition distribution function of each water vapor adsorptive site on adsorbents and the condensation approximation of adsorptive water molecules and is validated with experimental data. An interesting and useful finding has been established that the proposed model is thermodynamically connected with the pore structures of adsorbent materials, and the water vapor uptake highly depends on the isosteric heat of adsorption at zero surface coverage and the adsorptive sites of the adsorbent materials. Employing the proposed model, the thermodynamic trends of water vapor uptakes on various adsorbents can be estimated.

  10. Composite polymeric beads containing N,N,N',N'-tetraoctyldiglycolamide for actinide ion uptake from nitric acid feeds: Batch uptake, kinetic modelling and column studies.

    PubMed

    Gujar, R B; Mohapatra, P K; Lakshmi, D Shanthana; Figoli, A

    2015-11-27

    Polyethersulphone (PES) based composite polymeric beads (CPB) containing TODGA (N,N,N',N'-tetraoctyldiglycolamide) as the extractant were prepared by conventional phase inversion technique and were tested for the uptake of actinide ions such as Am(3+), UO2(2+), Pu(4+), Np(4+) and fission product ions such as Eu(3+) and Sr(2+). The CPBs containing 2.5-10wt.% TODGA were characterized by various physical methods and their porosity, size, surface morphology, surface area and the degradation profile by thermogravimetry were analyzed. The batch uptake studies involved kinetics of metal ion sorption, uptake as a function of nitric acid concentration, kinetic modelling and adsorption isotherms and most of the studies involved the Am(3+) ions. The batch saturation sorption capacities for Eu(3+) loading at 3M HNO3 were determined to be 6.6±0.02, 9.1±0.02 and 22.3±0.04mgg(-1) of CRBs with 2.5wt.%, 5wt.% and 10wt.% TODGA, respectively. The sorption isotherm analysis with Langmuir, D-R and Freundlisch isotherms indicated chemisorption monolayer mechanism. Chromatographic studies indicated breakthrough of Eu(3+) (using a solution containing Eu carrier) after about 0.75 bed volume (3.5-4mL). Elution of the loaded Eu was carried out using 0.01M EDTA as the eluent. Copyright © 2015 Elsevier B.V. All rights reserved.

  11. Biosorptive uptake of arsenic(V) by steam activated carbon from mung bean husk: equilibrium, kinetics, thermodynamics and modeling

    NASA Astrophysics Data System (ADS)

    Mondal, Sandip; Aikat, Kaustav; Halder, Gopinath

    2017-07-01

    The present investigation emphasizes on the biosorptive removal of toxic pentavalent arsenic from water using steam activated carbon prepared from mung bean husk (SAC-MBH). Characterization of the synthesized sorbent was done using different instrumental techniques, i.e., SEM, BET and point of zero charge. Sorptive uptake of As(V) over steam activated MBH as a function of pH (3-9), agitation speed (40-200 rpm), dosage (50-1000 mg) and temperature (298-313 K) was studied by batch process at arsenic concentration of 2 mg L-1. Lower pH increases the arsenic removal over the pH range of 3-9. Among three adsorption isotherm models examined, Langmuir model was observed to show superior results over Freundlich model. The mean sorption energy (E) estimated by Dubinin-Radushkevich model suggested that the process of adsorption was chemisorption. Thermodynamic parameters confer that the sorption process was spontaneous, exothermic and feasible in nature. The pseudo-second-order rate kinetics of arsenic gave better correlation coefficients as compared to pseudo-first-order kinetics equation. Three process parameters, viz. adsorbent dosage, agitation speed and pH were opted for optimizing As(V) elimination using central composite design matrix of response surface methodology (RSM). The identical design setup was used for artificial neural network (ANN) for comparing its prediction capability with RSM towards As(V) removal. Maximum arsenic removal was observed to be 98.75% at sorbent dosage 0.75 gm L-1, pH 3.0, agitation speed 160 rpm and temperature 308 K. The study concluded that SAC-MBH could be a competent adsorbent for As(V) removal and ANN model was better in arsenic removal predictability results than RSM model.

  12. Using thermodynamics to assess biotic and abiotic impediments to root water uptake

    NASA Astrophysics Data System (ADS)

    Bechmann, Marcel; Hildebrandt, Anke; Kleidon, Axel

    2016-04-01

    Root water uptake has been the subject of extensive research, dealing with understanding the processes limiting transpiration and understanding strategies of plants to avoid water stress. Many of those studies use models of water flow from the soil through the plant into the atmosphere to learn about biotic and abiotic factors affecting plant water relations. One important question in this context is to identify those processes that are most limiting to water transport, and specifically whether these processes lie within the plant or the soil? Here, we propose to use a thermodynamic formulation of root water uptake to answer this question. The method allows us to separate the energy exported at the root collar into a sum of energy fluxes related to all processes along the flow path, notably including the effect of increasing water retention in drier soils. Evaluation of the several contributions allows us to identify and rank the processes by how much these impede water flow from the soil to the atmosphere. The application of this approach to a complex 3-dimensional root water uptake model reveals insights on the role of root versus soil resistances to limit water flow. We investigate the efficiency of root water uptake in an ensemble of root systems with varying root hydraulic properties. While root morphology is kept the same, root radial and axial resistances are artificially varied. Starting with entirely young systems (uptake roots, high radial, low axial conductance) we increasingly add older roots (transport roots, high axial, low radial conductance) to improve transport within root systems. This yields a range of root hydraulic architectures, where the extremes are limited either by radial uptake capacity or low capacity to transport water along the root system. We model root water uptake in this range of root systems with a 3-dimensional root water uptake model in two different soils, applying constant flux boundary conditions in a dry down experiment and

  13. Oxidation and hydrogen uptake in zirconium, Zircaloy-2 and Zircaloy-4: Computational thermodynamics and ab initio calculations

    NASA Astrophysics Data System (ADS)

    Glazoff, Michael V.; Tokuhiro, Akira; Rashkeev, Sergey N.; Sabharwall, Piyush

    2014-01-01

    Zirconium-based alloys Zircaloy-2 and Zircaloy-4 are widely used in nuclear industry as cladding materials for BWRs and PWRs, respectively. Over more than 60 years these materials displayed a very good combination of properties such as low neutron absorption, creep behavior, stress-corrosion cracking resistance, reduced hydrogen uptake, corrosion, and/or oxidation, especially in the case of Zircaloy-4 [1-3]. However, over the last couple of years energetic efforts were undertaken to improve their oxidation resistance during off-normal temperature excursions, as well as to further improve upon the already achieved levels of mechanical behavior and reduced hydrogen uptake [1-3]. In order to facilitate the development of such novel materials, it is very important to achieve not only engineering control, but also scientific understanding of the underlying material degradation mechanisms, both in working conditions and in storage of spent nuclear fuel. This paper strives to contribute to these efforts by constructing the thermodynamic models of both alloys, constructing of the respective phase diagrams, and oxidation mechanisms. A special emphasis was placed upon the role of zirconium suboxides [4] in hydrogen uptake reduction and the atomic mechanisms of oxidation. To that end, computational thermodynamics calculations were conducted concurrently with first-principles atomistic modeling.

  14. A new bioenergetic and thermodynamic approach to batch photoautotrophic growth of Arthrospira (Spirulina) platensis in different photobioreactors and under different light conditions.

    PubMed

    da Silva, Milena Fernandes; Casazza, Alessandro Alberto; Ferrari, Pier Francesco; Perego, Patrizia; Bezerra, Raquel Pedrosa; Converti, Attilio; Porto, Ana Lucia Figueiredo

    2016-05-01

    Photobioreactor configuration, mode of operation and light intensity are known to strongly impact on cyanobacteria growth. To shed light on these issues, kinetic, bioenergetic and thermodynamic parameters of batch Arthrospira platensis cultures were estimated along the time at photosynthetic photon flux density (PPFD) of 70μmolm(-2)s(-1) in different photobioreactors with different surface/volume ratio (S/V), namely open pond (0.25cm(-1)), shaken flask (0.48cm(-1)), horizontal photobioreactor (HoP) (1.94cm(-1)) and helicoidal photobioreactor (HeP) (3.88cm(-1)). Maximum biomass concentration and productivity remarkably increased with S/V up to 1.94cm(-1). HoP was shown to be the best-performing system throughout the whole runs, while HeP behaved better only at the start. Runs carried out in HoP increasing PPFD from 40 to 100μmolm(-2)s(-1) revealed a progressive enhancement of bioenergetics and thermodynamics likely because of favorable light distribution. HoP appeared to be a promising configuration to perform high-yield indoor cyanobacterial cultures.

  15. Uptake and Retention of Cs137 by a Blue-Green Alga in Continuous Flow and Batch Culture Systems

    SciTech Connect

    Watts, J.R.

    2003-02-18

    Since routine monitoring data show that blue-green algae concentrate radioactivity from water by factors as great as 10,000, this study was initiated to investigate the uptake and retention patterns of specific radionuclides by the dominant genera of blue-green algae in the reactor effluents. Plectonema purpureum was selected for this study.

  16. Biomechanics and Thermodynamics of Nanoparticle Interactions with Plasma and Endosomal Membrane Lipids in Cellular Uptake and Endosomal Escape

    PubMed Central

    2015-01-01

    To be effective for cytoplasmic delivery of therapeutics, nanoparticles (NPs) taken up via endocytic pathways must efficiently transport across the cell membrane and subsequently escape from the secondary endosomes. We hypothesized that the biomechanical and thermodynamic interactions of NPs with plasma and endosomal membrane lipids are involved in these processes. Using model plasma and endosomal lipid membranes, we compared the interactions of cationic NPs composed of poly(d,l-lactide-co-glycolide) modified with the dichain surfactant didodecyldimethylammonium bromide (DMAB) or the single-chain surfactant cetyltrimethylammonium bromide (CTAB) vs anionic unmodified NPs of similar size. We validated our hypothesis in doxorubicin-sensitive (MCF-7, with relatively fluid membranes) and resistant breast cancer cells (MCF-7/ADR, with rigid membranes). Despite their cationic surface charges, DMAB- and CTAB-modified NPs showed different patterns of biophysical interaction: DMAB-modified NPs induced bending of the model plasma membrane, whereas CTAB-modified NPs condensed the membrane, thereby resisted bending. Unmodified NPs showed no effects on bending. DMAB-modified NPs also induced thermodynamic instability of the model endosomal membrane, whereas CTAB-modified and unmodified NPs had no effect. Since bending of the plasma membrane and destabilization of the endosomal membrane are critical biophysical processes in NP cellular uptake and endosomal escape, respectively, we tested these NPs for cellular uptake and drug efficacy. Confocal imaging showed that in both sensitive and resistant cells DMAB-modified NPs exhibited greater cellular uptake and escape from endosomes than CTAB-modified or unmodified NPs. Further, paclitaxel-loaded DMAB-modified NPs induced greater cytotoxicity even in resistant cells than CTAB-modified or unmodified NPs or drug in solution, demonstrating the potential of DMAB-modified NPs to overcome the transport barrier in resistant cells. In

  17. Combining mechanistic and data-driven approaches to gain process knowledge on the control of the metabolic shift to lactate uptake in a fed-batch CHO process.

    PubMed

    Zalai, Dénes; Koczka, Krisztina; Párta, László; Wechselberger, Patrick; Klein, Tobias; Herwig, Christoph

    2015-01-01

    A growing body of knowledge is available on the cellular regulation of overflow metabolism in mammalian hosts of recombinant protein production. However, to develop strategies to control the regulation of overflow metabolism in cell culture processes, the effect of process parameters on metabolism has to be well understood. In this study, we investigated the effect of pH and temperature shift timing on lactate metabolism in a fed-batch Chinese hamster ovary (CHO) process by using a Design of Experiments (DoE) approach. The metabolic switch to lactate consumption was controlled in a broad range by the proper timing of pH and temperature shifts. To extract process knowledge from the large experimental dataset, we proposed a novel methodological concept and demonstrated its usefulness with the analysis of lactate metabolism. Time-resolved metabolic flux analysis and PLS-R VIP were combined to assess the correlation of lactate metabolism and the activity of the major intracellular pathways. Whereas the switch to lactate uptake was mainly triggered by the decrease in the glycolytic flux, lactate uptake was correlated to TCA activity in the last days of the cultivation. These metabolic interactions were visualized on simple mechanistic plots to facilitate the interpretation of the results. Taken together, the combination of knowledge-based mechanistic modeling and data-driven multivariate analysis delivered valuable insights into the metabolic control of lactate production and has proven to be a powerful tool for the analysis of large metabolic datasets. © 2015 American Institute of Chemical Engineers.

  18. The Thermodynamic Flow-Force Interpretation of Root Nutrient Uptake Kinetics: A Powerful Formalism for Agronomic and Phytoplanktonic Models.

    PubMed

    Le Deunff, Erwan; Tournier, Pierre-Henri; Malagoli, Philippe

    2016-01-01

    The ion influx isotherms obtained by measuring unidirectional influx across root membranes with radioactive or stable tracers are mostly interpreted by enzyme-substrate-like modeling. However, recent analyses from ion transporter mutants clearly demonstrate the inadequacy of the conventional interpretation of ion isotherms. Many genetically distinct carriers are involved in the root catalytic function. Parameters Vmax and Km deduced from this interpretation cannot therefore be regarded as microscopic parameters of a single transporter, but are instead macroscopic parameters (V[Formula: see text] and K[Formula: see text], apparent maximum velocity and affinity constant) that depend on weighted activities of multiple transporters along the root. The flow-force interpretation based on the thermodynamic principle of irreversible processes is an alternative macroscopic modeling approach for ion influx isotherms in which macroscopic parameters Lj (overall conductance of the root system for the substrate j) and πj (thermodynamic parameter when Jj = 0) have a straightforward meaning with respect to the biological sample studied. They characterize the efficiency of the entire root catalytic structure without deducing molecular characteristics. Here we present the basic principles of this theory and how its use can be tested and improved by changing root pre- and post-wash procedures before influx measurements in order to come as close as possible to equilibrium conditions. In addition, the constant values of Vm and Km in the Michaelis-Menten (MM) formalism of enzyme-substrate interpretation do not reflect variations in response to temperature, nutrient status or nutrient regimes. The linear formalism of the flow-force approach, which integrates temperature effect on nutrient uptake, could usefully replace MM formalism in the 1-3-dimension models of plants and phytoplankton. This formalism offers a simplification of parametrization to help find more realistic analytical

  19. The Thermodynamic Flow-Force Interpretation of Root Nutrient Uptake Kinetics: A Powerful Formalism for Agronomic and Phytoplanktonic Models

    PubMed Central

    Le Deunff, Erwan; Tournier, Pierre-Henri; Malagoli, Philippe

    2016-01-01

    The ion influx isotherms obtained by measuring unidirectional influx across root membranes with radioactive or stable tracers are mostly interpreted by enzyme-substrate-like modeling. However, recent analyses from ion transporter mutants clearly demonstrate the inadequacy of the conventional interpretation of ion isotherms. Many genetically distinct carriers are involved in the root catalytic function. Parameters Vmax and Km deduced from this interpretation cannot therefore be regarded as microscopic parameters of a single transporter, but are instead macroscopic parameters (Vmapp and Kmapp, apparent maximum velocity and affinity constant) that depend on weighted activities of multiple transporters along the root. The flow-force interpretation based on the thermodynamic principle of irreversible processes is an alternative macroscopic modeling approach for ion influx isotherms in which macroscopic parameters Lj (overall conductance of the root system for the substrate j) and πj (thermodynamic parameter when Jj = 0) have a straightforward meaning with respect to the biological sample studied. They characterize the efficiency of the entire root catalytic structure without deducing molecular characteristics. Here we present the basic principles of this theory and how its use can be tested and improved by changing root pre- and post-wash procedures before influx measurements in order to come as close as possible to equilibrium conditions. In addition, the constant values of Vm and Km in the Michaelis-Menten (MM) formalism of enzyme-substrate interpretation do not reflect variations in response to temperature, nutrient status or nutrient regimes. The linear formalism of the flow-force approach, which integrates temperature effect on nutrient uptake, could usefully replace MM formalism in the 1-3-dimension models of plants and phytoplankton. This formalism offers a simplification of parametrization to help find more realistic analytical expressions and numerical

  20. Norbadione a: kinetics and thermodynamics of cesium uptake in aqueous and alcoholic media.

    PubMed

    Korovitch, Alexandre; Mulon, Jean-Baptiste; Souchon, Vincent; Leray, Isabelle; Valeur, Bernard; Mallinger, Aurélie; Nadal, Brice; Le Gall, Thierry; Lion, Claude; Ha-Duong, Nguyêt-Thanh; El Hage Chahine, Jean-Michel

    2010-10-07

    Norbadione A (NbA) is a mushroom pigment, which is assumed to be involved in (137)Cs accumulation all over Europe during the Chernobyl nuclear accident. NbA bears seven acid-base functional groups, among which are two enolic and two carboxylic acid moieties. This work deals with complex formation of Cs(+) and NbA in ethanol, ethanol/water (9:1) (M1), and water with, when required, the support of two Cs(+) ionophore probes, calix[4]arene-bis(crown-6-ether)dioxycoumarine (A1) and its tetrasuslfonated form (A2). In ethanol, two Cs(+) complexes are formed, with the affinity constants K(1EtOH) = (1.1 ± 0.25) × 10(5) and K(2EtOH) = (2.1 ± 0.4) × 10(3). In M1, a single Cs(+) complex occurs when only the enols are deprotonated, whereas a bicomplex is formed when both enols and carboxylic acids are deprotonated: K(1M1) = (1.5 ± 0.3) × 10(5) and K(2M1) = (4 ± 2) × 10(3). These data are confirmed by stopped-flow and T-jump kinetics. In ethanol, a fast Cs(+) exchange occurs between NbA and A1: direct rate constant, k(1) = (3.1 ± 0.1) × 10(7) M(-1) s(-1); reverse rate constant k(-1) = (2.8 ± 1) × 10(5) M(-1) s(-1); and Cs(+) exchange constant, K(1Exchange) = (9 ± 4) × 10(-3). In M1, the quenching of A2 fluorescence by NbA is used to determine the kinetics of complex formation with Cs(+): k(2) = (1.8 ± 0.4) × 10(9) M(-1) s(-1); k(-2) = (1.80 ± 0.15) × 10(4) s(-1); and K(1M1) = (1.5 ± 0.5) × 10(5). The affinity of NbA for Cs(+) is probably the result of the particular structure in which the two pulvinic acid arms adopt a conformation that forms two complexation sites composed of the two enolates and/or the two carboxylates. This renders the efficiency in Cs(+) uptake comparable to that of some calixarenes or crown ethers.

  1. Sequestration of Sr(II) By Calcium Oxalate - a Batch Uptake Study And EXAFS Analysis of Model Compounds And Reaction Products

    SciTech Connect

    Singer, D.M.; Johnson, S.B.; Catalano, J.G.; Farges, F.; Brown, G.E.; Jr.

    2009-05-26

    Calcium oxalate monohydrate (CaC{sub 2}O{sub 4}{center_dot}H{sub 2}O -- abbreviated as CaOx) is produced by two-thirds of all plant families, comprising up to 80 wt.% of the plant tissue and found in many surface environments. It is unclear, however, how CaOx in plants and soils interacts with metal ions and possibly sequesters them. This study examines the speciation of Sr(II){sub aq} following its reaction with CaOx. Batch uptake experiments were conducted over the pH range 4--10, with initial Sr solution concentrations, [Sr]{sub aq}, ranging from 1 x 10{sup -4} to 1 x 10{sup -3} M and ionic strengths ranging of 0.001--0.1 M, using NaCl as the background electrolyte. Experimental results indicate that Sr uptake is independent of pH and ionic strength over these ranges. After exposure of CaOx to Sr{sub aq} for two days, the solution Ca concentration, [Ca]{sup aq}, increased for all samples relative to the control CaOx suspension (with no Sr added). The amount of Sr{sub aq} removed from solution was nearly equal to the total [Ca]{sup aq} after exposure of CaOx to Sr. These results suggest that nearly 90% of the Sr is removed from solution to a solid phase as Ca is released into solution. We suggest that the other 10% is sequestered through surface adsorption on a solid phase, although we have no direct evidence for this. Extended X-ray absorption fine structure (EXAFS) spectroscopy was used to determine the molecular-level speciation of Sr in the reaction products. Deconvolutions of the Sr K-edge EXAFS spectra were performed to identify multi-electron excitation (MEE) features. MEE effects were found to give rise to low-frequency peaks in the Fourier transform before the first shell of oxygen atoms and do not affect EXAFS fitting results. Because of potential problems caused by asymmetric distributions of Sr-O distances when fitting Sr K-edge EXAFS data using the standard harmonic model, we also employed a cumulant expansion model and an asymmetric analytical model

  2. Kinetic modeling, equilibrium isotherm and thermodynamic studies on a batch adsorption of anionic dye onto eco-friendly dried Carpobrotus edulis plant

    NASA Astrophysics Data System (ADS)

    Aziam, R.; Chiban, M.; Eddaoudi, H.; Soudani, A.; Zerbet, M.; Sinan, F.

    2016-11-01

    In the present study, a low-cost bio-adsorbent is developed from the naturally and abundantly available dried Mediterranean plant which is biodegradable. The bio-adsorbent was characterized by Fourier transform infrared spectroscopy (FTIR) and point of zero charge (PZC). A study on the adsorption kinetics and isotherms was performed applying the optimized conditions. The equilibrium data for the adsorption of acid blue 113 on dried plant is tested with various adsorption isotherm models such as Langmuir, Freundlich, Temkin and Dubinin-Radushkevich equation. The Langmuir isotherm model is found to be the most suitable one for the acid blue 113 (AB113) adsorption using dried C. edulis plant and the theoretical maximum adsorption capacity obtained with the application of Langmuir isotherm model is 8.2 mg.g-1 at room temperature. The adsorption process follows the second-order kinetics and the corresponding rate constants are obtained. The thermodynamic parameters suggest that the adsorption process is spontaneous and exothermic nature. It can be concluded that the dried C. edulis adsorbent studied has good perspective to be used as adsorbent material in anionic dyes removal from industry effuents.

  3. Kinetic modeling, equilibrium isotherm and thermodynamic studies on a batch adsorption of anionic dye onto eco-friendly dried Carpobrotus edulis plant

    NASA Astrophysics Data System (ADS)

    Aziam, R.; Chiban, M.; Eddaoudi, H.; Soudani, A.; Zerbet, M.; Sinan, F.

    2017-04-01

    In the present study, a low-cost bio-adsorbent is developed from the naturally and abundantly available dried Mediterranean plant which is biodegradable. The bio-adsorbent was characterized by Fourier transform infrared spectroscopy (FTIR) and point of zero charge (PZC). A study on the adsorption kinetics and isotherms was performed applying the optimized conditions. The equilibrium data for the adsorption of acid blue 113 on dried plant is tested with various adsorption isotherm models such as Langmuir, Freundlich, Temkin and Dubinin-Radushkevich equation. The Langmuir isotherm model is found to be the most suitable one for the acid blue 113 (AB113) adsorption using dried C. edulis plant and the theoretical maximum adsorption capacity obtained with the application of Langmuir isotherm model is 8.2 mg.g-1 at room temperature. The adsorption process follows the second-order kinetics and the corresponding rate constants are obtained. The thermodynamic parameters suggest that the adsorption process is spontaneous and exothermic nature. It can be concluded that the dried C. edulis adsorbent studied has good perspective to be used as adsorbent material in anionic dyes removal from industry effluents.

  4. Effect of culture residence time on substrate uptake and storage by a pure culture of Thiothrix (CT3 strain) under continuous or batch feeding.

    PubMed

    Valentino, Francesco; Beccari, Mario; Villano, Marianna; Tandoi, Valter; Majone, Mauro

    2017-05-25

    A pure culture of the filamentous bacterium Thiothrix, strain CT3, was aerobically cultured in a chemostat under continuous acetate feeding at three different culture residence times (RT 6, 12 or 22 d) and the same volumetric organic load rate (OLR 0.12gCOD/L/d). Cells cultured at decreasing RT in the chemostat had an increasing transient response to acetate spikes in batch tests. The maximum specific acetate removal rate increased from 25 to 185mgCOD/gCOD/h, corresponding to a 1.8 to 8.1 fold higher respective steady-state rate in the chemostat. The transient response was mainly due to acetate storage in the form of poly(3-hydroxybutyrate) (PHB), whereas no growth response was observed at any RT. Interestingly, even though the storage rate also decreased as the RT increased, the storage yield increased from 0.41 to 0.50 COD/COD. This finding does not support the traditional view that storage plays a more important role as the transient response increases. The transient response of the steady-state cells was much lower than in cells cultured under periodic feeding (at 6 d RT, from 82 to 247mgCOD/gCOD/h), with the latter cells showing both storage and growth responses. On the other hand, even though steady-state cells had no growth response and their storage rate was also less, steady-state cells showed a higher storage yield than cells cultured under dynamic feeding. This suggests that in Thiothrix strain CT3, the growth response is triggered by periodic feeding, whereas the storage response is a constitutive mechanism, independent from previous acclimation to transient conditions.

  5. Light-driven chloride ion transport by halorhodopsin from Natronbacterium pharaonis: 2. Chloride release and uptake, protein conformation change, and thermodynamics

    SciTech Connect

    Varo, G.; Needleman, R.; Lanyi, J.K. |

    1995-11-07

    The photocycle of the light-driven chloride pump, N. pharaonis halorhodopsin, is described by the scheme HR {yields} K {yields} {leftrightarrow} L {leftrightarrow} N {leftrightarrow} O {leftrightarrow} HR{prime} {yields} HR. From the chloride dependencies of the rate constants in this model we identify the N {yields} O and O {yields} HR{prime} reactions as the steps where chloride release and uptake occur, respectively, during the transport. The dependencies of the rate constants on temperature describe a thermodynamic cycle in which enthalpy-entropy conversion occurs in the O{yields}HR{prime} reaction. The dependencies of the rate constants on hydrostatic pressure indicate that a substantial volume decrease occurs at the L{yields}N reaction, a result of a large-scale conformational change. This is the opposite of the volume increase in the photocycle of the proton pump, bacteriorhodopsin, that is implicated in the access change of the active site during the transport and the passage of a proton from the cytoplasmic surface to the active site. The results together suggest a chloride transport mechanism, in which the equivalents of all the ion transfer steps in bacteriorhodopsin occur but in the reverse sense, so as to cause the extracellular-to-cytoplasmic translocation of a chloride ion instead of the cytoplasmic-to-extracellular transport of a proton. 65 refs., 12 figs.

  6. Manganese uptake of imprinted polymers

    SciTech Connect

    Susanna Ventura

    2015-09-30

    Batch tests of manganese imprinted polymers of variable composition to assess their ability to extract lithium and manganese from synthetic brines at T=45C . Data on manganese uptake for two consecutive cycles are included.

  7. Biosorptive uptake of Fe(2+), Cu(2+) and As(5+) by activated biochar derived from Colocasia esculenta: Isotherm, kinetics, thermodynamics, and cost estimation.

    PubMed

    Banerjee, Soumya; Mukherjee, Shraboni; LaminKa-Ot, Augustine; Joshi, S R; Mandal, Tamal; Halder, Gopinath

    2016-09-01

    The adsorptive capability of superheated steam activated biochar (SSAB) produced from Colocasia esculenta was investigated for removal of Cu(2+), Fe(2+) and As(5+) from simulated coal mine wastewater. SSAB was characterized by scanning electron microscopy, Fourier transform infrared spectroscopy and Brunauer-Emmett-Teller analyser. Adsorption isotherm indicated monolayer adsorption which fitted best in Langmuir isotherm model. Thermodynamic study suggested the removal process to be exothermic, feasible and spontaneous in nature. Adsorption of Fe(2+), Cu(2+) and As(5+) on to SSAB was found to be governed by pseudo-second order kinetic model. Efficacy of SSAB in terms of metal desorption, regeneration and reusability for multiple cycles was studied. Regeneration of metal desorbed SSAB with 1 N sodium hydroxide maintained its effectiveness towards multiple metal adsorption cycles. Cost estimation of SSAB production substantiated its cost effectiveness as compared to commercially available activated carbon. Hence, SSAB could be a promising adsorbent for metal ions removal from aqueous solution.

  8. Uranium biosorption by Padina sp. algae biomass: kinetics and thermodynamics.

    PubMed

    Khani, Mohammad Hassan

    2011-11-01

    Kinetic, thermodynamic, and equilibrium isotherms of the biosorption of uranium ions onto Padina sp., a brown algae biomass, in a batch system have been studied. The kinetic data were found to follow the pseudo-second-order model. Intraparticle diffusion is not the sole rate-controlling factor. The equilibrium experimental results were analyzed in terms of Langmuir isotherm depending with temperature. Equilibrium data fitted very well to the Langmuir model. The maximum uptakes estimated by using the Langmuir model were 434.8, 416.7, 400.0, and 370.4 mg/g at 10°C, 20°C, 30°C, and 40°C, respectively. Gibbs free energy was spontaneous for all interactions, and the adsorption process exhibited exothermic enthalpy values. Padina sp. algae were shown to be a favorable biosorbent for uranium removal from aqueous solutions.

  9. Biosorptive uptake of ibuprofen by steam activated biochar derived from mung bean husk: Equilibrium, kinetics, thermodynamics, modeling and eco-toxicological studies.

    PubMed

    Mondal, Sandip; Bobde, Kiran; Aikat, Kaustav; Halder, Gopinath

    2016-11-01

    The present study explores the use of steam activated mung bean husk biochar (SA-MBHB) as a potential sorbent for the removal of non-steroidal and anti-inflammatory drug ibuprofen from aqueous solution. SA-MBHB was characterized by SEM, FTIR, BET, TGA, point of zero charge (pHPZC) and UV-Vis spectrophotometer. The relation between removal percentages of ibuprofen and parameters such as adsorbent dose (0.05 g-250 g), contact time (5 min-210 min), pH (2-10), speed of agitation (40-280 rpm), temperature (293-308 K) and initial ibuprofen concentration (5-100 ppm) was investigated and optimized by a series of batch sorption experiments. The optimized conditions achieved were: adsorbent dose 0.1 g/L, agitation speed 200 rpm, pH 2, initial ibuprofen concentration 20 mg L(-1), equilibrium time 120 min and temperature 20 °C for more than 99% adsorptive removal of ibuprofen. The equilibrium adsorption data were well fitted into the Langmuir isotherm model while kinetic data suggested the removal process to follow pseudo second order reaction. The adsorption phenomena were optimized and simulated by using response surface methodology (RSM) and artificial neural network (ANN). Effect of process variables viz. dose, agitation speed and pH on the sorbed amount of IBP was studied through a 2(3) full factorial central composite design (CCD). The comparative analysis was done for ibuprofen removal by constructing ANN model training using same experimental matrix of CCD. The growth of Scenedesmus abundans was also observed to be affected by the IBP solution whereas the biochar treated with IBP solution did not significantly affect the growth of the Scenedesmus abundans. The results revealed that SA-MBHB could be a cost-effective, efficient and non-hazardous adsorbent for the removal of ibuprofen from aqueous solution. Copyright © 2016 Elsevier Ltd. All rights reserved.

  10. Debiasing Crowdsourced Batches

    PubMed Central

    Zhuang, Honglei; Parameswaran, Aditya; Roth, Dan; Han, Jiawei

    2015-01-01

    Crowdsourcing is the de-facto standard for gathering annotated data. While, in theory, data annotation tasks are assumed to be attempted by workers independently, in practice, data annotation tasks are often grouped into batches to be presented and annotated by workers together, in order to save on the time or cost overhead of providing instructions or necessary background. Thus, even though independence is usually assumed between annotations on data items within the same batch, in most cases, a worker's judgment on a data item can still be affected by other data items within the batch, leading to additional errors in collected labels. In this paper, we study the data annotation bias when data items are presented as batches to be judged by workers simultaneously. We propose a novel worker model to characterize the annotating behavior on data batches, and present how to train the worker model on annotation data sets. We also present a debiasing technique to remove the effect of such annotation bias from adversely affecting the accuracy of labels obtained. Our experimental results on both synthetic data and real-world data demonstrate the effectiveness of our proposed method. PMID:26713175

  11. GIDEP Batching Tool

    NASA Technical Reports Server (NTRS)

    Fong, Danny; Odell,Dorice; Barry, Peter; Abrahamian, Tomik

    2008-01-01

    This software provides internal, automated search mechanics of GIDEP (Government- Industry Data Exchange Program) Alert data imported from the GIDEP government Web site. The batching tool allows the import of a single parts list in tab-delimited text format into the local JPL GIDEP database. Delimiters from every part number are removed. The original part numbers with delimiters are compared, as well as the newly generated list without the delimiters. The two lists run against the GIDEP imports, and output any matches. This feature only works with Netscape 2.0 or greater, or Internet Explorer 4.0 or greater. The user selects the browser button to choose a text file to import. When the submit button is pressed, this script will import alerts from the text file into the local JPL GIDEP database. This batch tool provides complete in-house control over exported material and data for automated batch match abilities. The batching tool has the ability to match capabilities of the parts list to tables, and yields results that aid further research and analysis. This provides more control over GIDEP information for metrics and reports information not provided by the government site. This software yields results quickly and gives more control over external data from the government site in order to generate other reports not available from the external source. There is enough space to store years of data. The program relates to risk identification and management with regard to projects and GIDEP alert information encompassing flight parts for space exploration.

  12. Thermodynamic Diagrams

    NASA Astrophysics Data System (ADS)

    Chaston, Scot

    1999-02-01

    Thermodynamic data such as equilibrium constants, standard cell potentials, molar enthalpies of formation, and standard entropies of substances can be a very useful basis for an organized presentation of knowledge in diverse areas of applied chemistry. Thermodynamic data can become particularly useful when incorporated into thermodynamic diagrams that are designed to be easy to recall, to serve as a basis for reconstructing previous knowledge, and to determine whether reactions can occur exergonically or only with the help of an external energy source. Few students in our chemistry-based courses would want to acquire the depth of knowledge or rigor of professional thermodynamicists. But they should nevertheless learn how to make good use of thermodynamic data in their professional occupations that span the chemical, biological, environmental, and medical laboratory fields. This article discusses examples of three thermodynamic diagrams that have been developed for this purpose. They are the thermodynamic energy account (TEA), the total entropy scale, and the thermodynamic scale diagrams. These diagrams help in the teaching and learning of thermodynamics by bringing the imagination into the process of developing a better understanding of abstract thermodynamic functions, and by allowing the reader to keep track of specialist thermodynamic discourses in the literature.

  13. Equilibrium, kinetic and thermodynamic studies of uranium biosorption by calcium alginate beads.

    PubMed

    Bai, Jing; Fan, Fangli; Wu, Xiaolei; Tian, Wei; Zhao, Liang; Yin, Xiaojie; Fan, Fuyou; Li, Zhan; Tian, Longlong; Wang, Yang; Qin, Zhi; Guo, Junsheng

    2013-12-01

    Calcium alginate beads are potential biosorbent for radionuclides removal as they contain carboxyl groups. However, until now limited information is available concerning the uptake behavior of uranium by this polymer gel, especially when sorption equilibrium, kinetics and thermodynamics are concerned. In present work, batch experiments were carried out to study the equilibrium, kinetics and thermodynamics of uranium sorption by calcium alginate beads. The effects of initial solution pH, sorbent amount, initial uranium concentration and temperature on uranium sorption were also investigated. The determined optimal conditions were: initial solution pH of 3.0, added sorbent amount of 40 mg, and uranium sorption capacity increased with increasing initial uranium concentration and temperature. Equilibrium data obtained under different temperatures were fitted better with Langmuir model than Freundlich model, uranium sorption was dominated by a monolayer way. The kinetic data can be well depicted by the pseudo-second-order kinetic model. The activation energy derived from Arrhenius equation was 30.0 kJ/mol and the sorption process had a chemical nature. Thermodynamic constants such as ΔH(0), ΔS(0) and ΔG(0) were also evaluated, results of thermodynamic study showed that the sorption process was endothermic and spontaneous.

  14. Flow-batch miniaturization.

    PubMed

    Monte-Filho, Severino S; Lima, Marcelo B; Andrade, Stéfani I E; Harding, David P; Fagundes, Yebá N M; Santos, Sergio R B; Lemos, Sherlan G; Araújo, Mario C U

    2011-10-30

    This study introduces the first micro-flow-batch analyzer (μFBA). A simple, low-cost, deep urethane-acrylate photo-resist ultraviolet-lithographic technique was used in its development. Details of the microfabrication process are presented including; the use of two superimposed photo-masks to improve the micro-channel and stop chamber border definition, as well as integration of an LED/phototransistor photometric pair, while using an open nylon-thread (fishing line) micro-mixing system for solutions homogenization. The system was used for photometric determination of Fe(II) in oral solution iron supplements employing the well-known 1,10-phenanthroline method, with instantaneously prepared micro-chamber calibration solutions. All analytical processes were accomplished by simply changing the timing parameters in the control software. It must be emphasized here that there was no outside preparation of the standard calibration solutions; the mixing was all done in-chamber/in-line, with all solutions maintained flowing while being proportioned for the measurement processes. The μFBA results were acceptable when compared to the reference method, and comparable to normal flow-batch systems. It was possible both to project and build a low-cost probe with high sample throughput (about 120 h(-1)), low relative standard deviations (about 1.1%), and reduced reagent consumption (30 times less than the reference method). The μFBA system based on urethane-acrylate presented satisfactory physical and chemical properties while keeping the flexibility, versatility, robustness, and multi-task characteristics of normal flow-batch analyzers. The μFBA system contributes to the advance of micro-analytical instrumentation, while realizing the basic principles of "Green Chemistry".

  15. Evaluation of zeolite A for the sorptive removal of Cs+ and Sr2+ ions from aqueous solutions using batch and fixed bed column operations.

    PubMed

    El-Kamash, A M

    2008-03-01

    Zeolite A was chemically synthesized and evaluated, as inorganic ion exchange material, for the removal of cesium and strontium ions from aqueous solutions in both batch and fixed bed column operations. Batch experiments were carried out as a function of pH, initial ion concentration and temperature. Simple kinetic and thermodynamic models have been applied to the rate and isotherm sorption data and the relevant kinetic and thermodynamic parameters were determined from the graphical presentation of these models. Breakthrough data were determined in a fixed bed column at room temperature (298 K) under the effect of various process parameters like bed depth, flow rate and initial ion concentration. The results showed that the total metal ion uptake and the overall bed capacity decreased with increasing flow rate and increased with increasing initial ion concentrations and bed depth. The dynamics of the ion exchange process was modeled by bed depth service time (BDST) model. The sorption rate constants (K) were found to increase with increase in flow rate indicating that the overall system kinetics was dominated by external mass transfer in the initial part of the sorption process in the column.

  16. Progressing batch hydrolysis process

    DOEpatents

    Wright, J.D.

    1985-01-10

    A progressive batch hydrolysis process is disclosed for producing sugar from a lignocellulosic feedstock. It comprises passing a stream of dilute acid serially through a plurality of percolation hydrolysis reactors charged with feed stock, at a flow rate, temperature and pressure sufficient to substantially convert all the cellulose component of the feed stock to glucose. The cooled dilute acid stream containing glucose, after exiting the last percolation hydrolysis reactor, serially fed through a plurality of pre-hydrolysis percolation reactors, charged with said feedstock, at a flow rate, temperature and pressure sufficient to substantially convert all the hemicellulose component of said feedstock to glucose. The dilute acid stream containing glucose is cooled after it exits the last prehydrolysis reactor.

  17. Progressing batch hydrolysis process

    DOEpatents

    Wright, John D.

    1986-01-01

    A progressive batch hydrolysis process for producing sugar from a lignocellulosic feedstock, comprising passing a stream of dilute acid serially through a plurality of percolation hydrolysis reactors charged with said feedstock, at a flow rate, temperature and pressure sufficient to substantially convert all the cellulose component of the feedstock to glucose; cooling said dilute acid stream containing glucose, after exiting the last percolation hydrolysis reactor, then feeding said dilute acid stream serially through a plurality of prehydrolysis percolation reactors, charged with said feedstock, at a flow rate, temperature and pressure sufficient to substantially convert all the hemicellulose component of said feedstock to glucose; and cooling the dilute acid stream containing glucose after it exits the last prehydrolysis reactor.

  18. Thermodynamic holography

    NASA Astrophysics Data System (ADS)

    Wei, Bo-Bo; Jiang, Zhan-Feng; Liu, Ren-Bao

    2015-10-01

    The holographic principle states that the information about a volume of a system is encoded on the boundary surface of the volume. Holography appears in many branches of physics, such as optics, electromagnetism, many-body physics, quantum gravity, and string theory. Here we show that holography is also an underlying principle in thermodynamics, a most important foundation of physics. The thermodynamics of a system is fully determined by its partition function. We prove that the partition function of a finite but arbitrarily large system is an analytic function on the complex plane of physical parameters, and therefore the partition function in a region on the complex plane is uniquely determined by its values along the boundary. The thermodynamic holography has applications in studying thermodynamics of nano-scale systems (such as molecule engines, nano-generators and macromolecules) and provides a new approach to many-body physics.

  19. Stochastic thermodynamics

    NASA Astrophysics Data System (ADS)

    Eichhorn, Ralf; Aurell, Erik

    2014-04-01

    'Stochastic thermodynamics as a conceptual framework combines the stochastic energetics approach introduced a decade ago by Sekimoto [1] with the idea that entropy can consistently be assigned to a single fluctuating trajectory [2]'. This quote, taken from Udo Seifert's [3] 2008 review, nicely summarizes the basic ideas behind stochastic thermodynamics: for small systems, driven by external forces and in contact with a heat bath at a well-defined temperature, stochastic energetics [4] defines the exchanged work and heat along a single fluctuating trajectory and connects them to changes in the internal (system) energy by an energy balance analogous to the first law of thermodynamics. Additionally, providing a consistent definition of trajectory-wise entropy production gives rise to second-law-like relations and forms the basis for a 'stochastic thermodynamics' along individual fluctuating trajectories. In order to construct meaningful concepts of work, heat and entropy production for single trajectories, their definitions are based on the stochastic equations of motion modeling the physical system of interest. Because of this, they are valid even for systems that are prevented from equilibrating with the thermal environment by external driving forces (or other sources of non-equilibrium). In that way, the central notions of equilibrium thermodynamics, such as heat, work and entropy, are consistently extended to the non-equilibrium realm. In the (non-equilibrium) ensemble, the trajectory-wise quantities acquire distributions. General statements derived within stochastic thermodynamics typically refer to properties of these distributions, and are valid in the non-equilibrium regime even beyond the linear response. The extension of statistical mechanics and of exact thermodynamic statements to the non-equilibrium realm has been discussed from the early days of statistical mechanics more than 100 years ago. This debate culminated in the development of linear response

  20. Insight into biosorption equilibrium, kinetics and thermodynamics of crystal violet onto Ananas comosus (pineapple) leaf powder

    NASA Astrophysics Data System (ADS)

    Chakraborty, Sagnik; Chowdhury, Shamik; Saha, Papita Das

    2012-06-01

    Biosorption performance of pineapple leaf powder (PLP) for removal of crystal violet (CV) from its aqueous solutions was investigated. To this end, the influence of operational parameters such as pH, biosorbent dose, initial dye concentration and temperature were studied employing a batch experimental setup. The biosorption process followed the Langmuir isotherm model with high correlation coefficients ( R 2 > 0.99) at different temperatures. The maximum monolayer biosorption capacity was found to be 78.22 mg g-1 at 293 K. The kinetic data conformed to the pseudo-second-order kinetic model. The activation energy of the system was calculated as 58.96 kJ mol- 1 , indicating chemisorption nature of the ongoing biosorption process. A thermodynamic study showed spontaneous and exothermic nature of the biosorption process. Owing to its low cost and high dye uptake capacity, PLP has potential for application as biosorbent for removal of CV from aqueous solutions.

  1. Microbial diversity arising from thermodynamic constraints

    PubMed Central

    Großkopf, Tobias; Soyer, Orkun S

    2016-01-01

    The microbial world displays an immense taxonomic diversity. This diversity is manifested also in a multitude of metabolic pathways that can utilise different substrates and produce different products. Here, we propose that these observations directly link to thermodynamic constraints that inherently arise from the metabolic basis of microbial growth. We show that thermodynamic constraints can enable coexistence of microbes that utilise the same substrate but produce different end products. We find that this thermodynamics-driven emergence of diversity is most relevant for metabolic conversions with low free energy as seen for example under anaerobic conditions, where population dynamics is governed by thermodynamic effects rather than kinetic factors such as substrate uptake rates. These findings provide a general understanding of the microbial diversity based on the first principles of thermodynamics. As such they provide a thermodynamics-based framework for explaining the observed microbial diversity in different natural and synthetic environments. PMID:27035705

  2. Application of gain scheduling to the control of batch bioreactors

    NASA Technical Reports Server (NTRS)

    Cardello, Ralph; San, Ka-Yiu

    1987-01-01

    The implementation of control algorithms to batch bioreactors is often complicated by the inherent variations in process dynamics during the course of fermentation. Such a wide operating range may render the performance of fixed gain PID controllers unsatisfactory. In this work, a detailed study on the control of batch fermentation is performed. Furthermore, a simple batch controller design is proposed which incorporates the concept of gain-scheduling, a subclass of adaptive control, with oxygen uptake rate as an auxiliary variable. The control of oxygen tension in the biorector is used as a vehicle to convey the proposed idea, analysis and results. Simulation experiments indicate significant improvement in controller performance can be achieved by the proposed approach even in the presence of measurement noise.

  3. Application of gain scheduling to the control of batch bioreactors

    NASA Technical Reports Server (NTRS)

    Cardello, Ralph; San, Ka-Yiu

    1987-01-01

    The implementation of control algorithms to batch bioreactors is often complicated by the inherent variations in process dynamics during the course of fermentation. Such a wide operating range may render the performance of fixed gain PID controllers unsatisfactory. In this work, a detailed study on the control of batch fermentation is performed. Furthermore, a simple batch controller design is proposed which incorporates the concept of gain-scheduling, a subclass of adaptive control, with oxygen uptake rate as an auxiliary variable. The control of oxygen tension in the biorector is used as a vehicle to convey the proposed idea, analysis and results. Simulation experiments indicate significant improvement in controller performance can be achieved by the proposed approach even in the presence of measurement noise.

  4. Data-driven batch schuduling

    SciTech Connect

    Bent, John; Denehy, Tim; Arpaci - Dusseau, Remzi; Livny, Miron; Arpaci - Dusseau, Andrea C

    2009-01-01

    In this paper, we develop data-driven strategies for batch computing schedulers. Current CPU-centric batch schedulers ignore the data needs within workloads and execute them by linking them transparently and directly to their needed data. When scheduled on remote computational resources, this elegant solution of direct data access can incur an order of magnitude performance penalty for data-intensive workloads. Adding data-awareness to batch schedulers allows a careful coordination of data and CPU allocation thereby reducing the cost of remote execution. We offer here new techniques by which batch schedulers can become data-driven. Such systems can use our analytical predictive models to select one of the four data-driven scheduling policies that we have created. Through simulation, we demonstrate the accuracy of our predictive models and show how they can reduce time to completion for some workloads by as much as 80%.

  5. Batch compositions for cordierite ceramics

    DOEpatents

    Hickman, David L.

    1994-07-26

    Ceramic products consisting principally of cordierite and a method for making them are provided, the method employing batches comprising a mineral component and a chemical component, the mineral component comprising clay and talc and the chemical component consisting essentially of a combination of the powdered oxides, hydroxides, or hydrous oxides of magnesium, aluminum and silicon. Ceramics made by extrusion and firing of the batches can exhibit low porosity, high strength and low thermal expansion coefficients.

  6. Adaptive Batch Mode Active Learning.

    PubMed

    Chakraborty, Shayok; Balasubramanian, Vineeth; Panchanathan, Sethuraman

    2015-08-01

    Active learning techniques have gained popularity to reduce human effort in labeling data instances for inducing a classifier. When faced with large amounts of unlabeled data, such algorithms automatically identify the exemplar and representative instances to be selected for manual annotation. More recently, there have been attempts toward a batch mode form of active learning, where a batch of data points is simultaneously selected from an unlabeled set. Real-world applications require adaptive approaches for batch selection in active learning, depending on the complexity of the data stream in question. However, the existing work in this field has primarily focused on static or heuristic batch size selection. In this paper, we propose two novel optimization-based frameworks for adaptive batch mode active learning (BMAL), where the batch size as well as the selection criteria are combined in a single formulation. We exploit gradient-descent-based optimization strategies as well as properties of submodular functions to derive the adaptive BMAL algorithms. The solution procedures have the same computational complexity as existing state-of-the-art static BMAL techniques. Our empirical results on the widely used VidTIMIT and the mobile biometric (MOBIO) data sets portray the efficacy of the proposed frameworks and also certify the potential of these approaches in being used for real-world biometric recognition applications.

  7. Descriptive thermodynamics

    NASA Astrophysics Data System (ADS)

    Ford, David; Huntsman, Steven

    2006-06-01

    Thermodynamics (in concert with its sister discipline, statistical physics) can be regarded as a data reduction scheme based on partitioning a total system into a subsystem and a bath that weakly interact with each other. Whereas conventionally, the systems investigated require this form of data reduction in order to facilitate prediction, a different problem also occurs, in the context of communication networks, markets, etc. Such “empirically accessible” systems typically overwhelm observers with the sort of information that in the case of (say) a gas is effectively unobtainable. What is required for such complex interacting systems is not prediction (this may be impossible when humans besides the observer are responsible for the interactions) but rather, description as a route to understanding. Still, the need for a thermodynamical data reduction scheme remains. In this paper, we show how an empirical temperature can be computed for finite, empirically accessible systems, and further outline how this construction allows the age-old science of thermodynamics to be fruitfully applied to them.

  8. MBASIC batch processor architectural overview

    NASA Technical Reports Server (NTRS)

    Reynolds, S. M.

    1978-01-01

    The MBASIC (TM) batch processor, a language translator designed to operate in the MBASIC (TM) environment is described. Features include: (1) a CONVERT TO BATCH command, usable from the ready mode; and (2) translation of the users program in stages through several levels of intermediate language and optimization. The processor is to be designed and implemented in both machine-independent and machine-dependent sections. The architecture is planned so that optimization processes are transparent to the rest of the system and need not be included in the first design implementation cycle.

  9. Nanoscopic Thermodynamics.

    PubMed

    Qi, Weihong

    2016-09-20

    Conventional thermodynamics for bulk substances encounters challenges when one considers materials on the nanometer scale. Quantities such as entropy, enthalpy, free energy, melting temperature, ordering temperature, Debye temperature, and specific heat no longer remain constant but change with the crystal dimension, size, and morphology. Often, one phenomenon is associated with a variety of theories from different perspectives. Still, a model that can reconcile the size and shape dependence of the thermal properties of the nanoscaled substances remains one of the goals of nanoscience and nanotechnology. This Account highlights the nanoscopic thermodynamics for nanoparticles, nanowires, and nanofilms, with particular emphasis on the bond energy model. The central idea is that the atomic cohesive energy determines the thermodynamic performance of a substance and the cohesive energy varies with the atomic coordination environment. It is the cohesive energy difference between the core and the shell that dictates the nanoscopic thermodynamics. This bond energy model rationalizes the following: (i) how the surface dangling bonds depress the melting temperature, entropy, and enthalpy; (ii) how the order-disorder transition of the nanoparticles depends on particle size and how their stability may vary when they are embedded in an appropriate matrix; (iii) predictions of the existence of face-centered cubic structures of Ti, Zr, and Hf at small size; (iv) how two elements that are immiscible in the bulk can form an alloy on the nanoscale, where the critical size can be predicted. The model has enabled us to reproduce the size and shape dependence of a number of physical properties, such as melting temperature, melting entropy, melting enthalpy, ordering temperature, Gibbs free energy, and formation heat, among others, for materials such as Pd, Au, Ag, Cu, Ni, Sn, Pb, In, Bi, Al, Ti, Zr, Hf, In-Al, Ag-Ni, Co-Pt, Cu-Ag, Cu-Ni, Au-Ni, Ag-Pt, and Au-Pt on the nanometer scale

  10. Sorption equilibrium, mechanism and thermodynamics studies of 1,3-propanediol on beta zeolite from an aqueous solution.

    PubMed

    Wang, Zhe; Wu, Zhe; Tan, Tianwei

    2013-10-01

    To identify the adsorption characteristics of 1,3-propanediol on beta zeolite, the effects of temperature, zeolite dose, and 1,3-propanediol concentration were studied through batch experiments. The results showed that the pseudo-second order model expressed the kinetic data better. The experimental and theoretical adsorption capacities were 116.2 and 119.0 mg/g at 293 K, respectively. The adsorption equilibrium data were observed to satisfy the Freundlich isotherm model. Based on the Boyd plot, intraparticle diffusion primarily governed the uptake process. Moreover, thermodynamic parameters, such as changes in standard free energy (ΔG(0)), standard enthalpy (ΔH(0)), and standard entropy, were estimated. The negative values of ΔG(0) and ΔH(0) (-9.4 kJ/mol) indicated that the adsorption process was spontaneous, exothermic, and feasible. Finally, the activation energy derived from the Arrhenius equation suggested that the interaction mainly constitute physical adsorption.

  11. Simulated Batch Production of Penicillin

    ERIC Educational Resources Information Center

    Whitaker, A.; Walker, J. D.

    1973-01-01

    Describes a program in applied biology in which the simulation of the production of penicillin in a batch fermentor is used as a teaching technique to give students experience before handling a genuine industrial fermentation process. Details are given for the calculation of minimum production cost. (JR)

  12. Batching System for Superior Service

    NASA Technical Reports Server (NTRS)

    2001-01-01

    Veridian's Portable Batch System (PBS) was the recipient of the 1997 NASA Space Act Award for outstanding software. A batch system is a set of processes for managing queues and jobs. Without a batch system, it is difficult to manage the workload of a computer system. By bundling the enterprise's computing resources, the PBS technology offers users a single coherent interface, resulting in efficient management of the batch services. Users choose which information to package into "containers" for system-wide use. PBS also provides detailed system usage data, a procedure not easily executed without this software. PBS operates on networked, multi-platform UNIX environments. Veridian's new version, PBS Pro,TM has additional features and enhancements, including support for additional operating systems. Veridian distributes the original version of PBS as Open Source software via the PBS website. Customers can register and download the software at no cost. PBS Pro is also available via the web and offers additional features such as increased stability, reliability, and fault tolerance.A company using PBS can expect a significant increase in the effective management of its computing resources. Tangible benefits include increased utilization of costly resources and enhanced understanding of computational requirements and user needs.

  13. Physicochemical Characteristics of Transferon™ Batches.

    PubMed

    Medina-Rivero, Emilio; Vallejo-Castillo, Luis; Vázquez-Leyva, Said; Pérez-Sánchez, Gilberto; Favari, Liliana; Velasco-Velázquez, Marco; Estrada-Parra, Sergio; Pavón, Lenin; Pérez-Tapia, Sonia Mayra

    2016-01-01

    Transferon, a biotherapeutic agent that has been used for the past 2 decades for diseases with an inflammatory component, has been approved by regulatory authorities in Mexico (COFEPRIS) for the treatment of patients with herpes infection. The active pharmaceutical ingredient (API) of Transferon is based on polydispersion of peptides that have been extracted from lysed human leukocytes by a dialysis process and a subsequent ultrafiltration step to select molecules below 10 kDa. To physicochemically characterize the drug product, we developed chromatographic methods and an SDS-PAGE approach to analyze the composition and the overall variability of Transferon. Reversed-phase chromatographic profiles of peptide populations demonstrated batch-to-batch consistency from 10 representative batches that harbored 4 primary peaks with a relative standard deviation (RSD) of less than 7%. Aminogram profiles exhibited 17 proteinogenic amino acids and showed that glycine was the most abundant amino acid, with a relative content of approximately 18%. Further, based on their electrophoretic migration, the peptide populations exhibited a molecular mass of about 10 kDa. Finally, we determined the Transferon fingerprint using a mass spectrometry tool. Because each batch was produced from independent pooled buffy coat samples from healthy donors, supplied by a local blood bank, our results support the consistency of the production of Transferon and reveal its peptide identity with regard to its physicochemical attributes.

  14. Simulated Batch Production of Penicillin

    ERIC Educational Resources Information Center

    Whitaker, A.; Walker, J. D.

    1973-01-01

    Describes a program in applied biology in which the simulation of the production of penicillin in a batch fermentor is used as a teaching technique to give students experience before handling a genuine industrial fermentation process. Details are given for the calculation of minimum production cost. (JR)

  15. Physicochemical Characteristics of Transferon™ Batches

    PubMed Central

    Pérez-Sánchez, Gilberto; Favari, Liliana; Estrada-Parra, Sergio

    2016-01-01

    Transferon, a biotherapeutic agent that has been used for the past 2 decades for diseases with an inflammatory component, has been approved by regulatory authorities in Mexico (COFEPRIS) for the treatment of patients with herpes infection. The active pharmaceutical ingredient (API) of Transferon is based on polydispersion of peptides that have been extracted from lysed human leukocytes by a dialysis process and a subsequent ultrafiltration step to select molecules below 10 kDa. To physicochemically characterize the drug product, we developed chromatographic methods and an SDS-PAGE approach to analyze the composition and the overall variability of Transferon. Reversed-phase chromatographic profiles of peptide populations demonstrated batch-to-batch consistency from 10 representative batches that harbored 4 primary peaks with a relative standard deviation (RSD) of less than 7%. Aminogram profiles exhibited 17 proteinogenic amino acids and showed that glycine was the most abundant amino acid, with a relative content of approximately 18%. Further, based on their electrophoretic migration, the peptide populations exhibited a molecular mass of about 10 kDa. Finally, we determined the Transferon fingerprint using a mass spectrometry tool. Because each batch was produced from independent pooled buffy coat samples from healthy donors, supplied by a local blood bank, our results support the consistency of the production of Transferon and reveal its peptide identity with regard to its physicochemical attributes. PMID:27525277

  16. NDA BATCH 2002-02

    SciTech Connect

    Lawrence Livermore National Laboratory

    2009-12-09

    QC sample results (daily background checks, 20-gram and 100-gram SGS drum checks) were within acceptable criteria established by WIPP's Quality Assurance Objectives for TRU Waste Characterization. Replicate runs were performed on 5 drums with IDs LL85101099TRU, LL85801147TRU, LL85801109TRU, LL85300999TRU and LL85500979TRU. All replicate measurement results are identical at the 95% confidence level as established by WIPP criteria. Note that the batch covered 5 weeks of SGS measurements from 23-Jan-2002 through 22-Feb-2002. Data packet for SGS Batch 2002-02 generated using gamma spectroscopy with the Pu Facility SGS unit is technically reasonable. All QC samples are in compliance with established control limits. The batch data packet has been reviewed for correctness, completeness, consistency and compliance with WIPP's Quality Assurance Objectives and determined to be acceptable. An Expert Review was performed on the data packet between 28-Feb-02 and 09-Jul-02 to check for potential U-235, Np-237 and Am-241 interferences and address drum cases where specific scan segments showed Se gamma ray transmissions for the 136-keV gamma to be below 0.1 %. Two drums in the batch showed Pu-238 at a relative mass ratio more than 2% of all the Pu isotopes.

  17. Batch manufacturing: Six strategic needs

    SciTech Connect

    Ash, R.H.; Chappell, D.A.

    1995-08-01

    Since the advent of industrial digital control systems in the mid-1970s, industry has had the promise of integrated, configurable digital batch control systems to replace the morass of electromechanical devices like relays and stepping switches, recorders, and indicators which comprised the components of previous generations of batch control systems - the {open_quotes}monolithic monsters{close_quotes} of the 1960s and earlier. To help fulfill that promise, there have been many wide-ranging proprietary automation solutions for batch control since 1975, many of them technically excellent. However, even the best examples suffered from the lack of a common language and unifying concept permitting separate systems to be interconnected and work together. Today, some 20 years after the digital revolution began, industry has microprocessors, memory chips, data highways, and other marvelous technology to help automate the control of discontinuous processes. They also are on the way to having an accepted standard for batch automation, ISA S88. Batching systems are at once conceptually simple but executionally complex. The notion of adding ingredients one at a time to a vat, mixing, and then processing into final form is as old as the stone age. Every homemaker on earth, male or female, is familiar with how to follow a recipe to create some sumptuous item of culinary delight. Food recipes, so familiar and ubiquitous, are really just microcosms of the S88 recipe standard. They contain the same components: (1) Header (name and description of item being prepared, sometimes serving size); (2) Formula (list and amount of ingredients); (3) Equipment requirements (pans, mixing and cooking equipment); (4) Procedure (description of order of ingredient addition, mixing and other processing steps, baking/cooling time, and other processing steps); and (5) Other information (safety, cautions, and other miscellaneous instructions).

  18. Advances in thermodynamics

    SciTech Connect

    Sieniutycz, S. ); Salamon, P. )

    1990-01-01

    This book covers: nonequilibrium thermodynamics for solar energy applications; finite-time thermodynamics as applied to solar power conversion; thermodynamics and economics; exergy analysis; and an analysis of cumulative exergy consumption and exergy losses.

  19. Natural thermodynamics

    NASA Astrophysics Data System (ADS)

    Annila, Arto

    2016-02-01

    The principle of increasing entropy is derived from statistical physics of open systems assuming that quanta of actions, as undividable basic build blocks, embody everything. According to this tenet, all systems evolve from one state to another either by acquiring quanta from their surroundings or by discarding quanta to the surroundings in order to attain energetic balance in least time. These natural processes result in ubiquitous scale-free patterns: skewed distributions that accumulate in a sigmoid manner and hence span log-log scales mostly as straight lines. Moreover, the equation for least-time motions reveals that evolution is by nature a non-deterministic process. Although the obtained insight in thermodynamics from the notion of quanta in motion yields nothing new, it accentuates that contemporary comprehension is impaired when modeling evolution as a computable process by imposing conservation of energy and thereby ignoring that quantum of actions are the carriers of energy from the system to its surroundings.

  20. NDA Batch 2002-13

    SciTech Connect

    Hollister, R

    2009-09-17

    QC sample results (daily background check drum and 100-gram SGS check drum) were within acceptance criteria established by WIPP's Quality Assurance Objectives for TRU Waste Characterization. Replicate runs were performed on drum LL85501243TRU. Replicate measurement results are identical at the 95% confidence level as established by WIPP criteria. HWM NCAR No. 02-1000168 issued on 17-Oct-2002 regarding a partially dislodged Cd sheet filter on the HPGe coaxial detector. This physical geometry occurred on 01-Oct-2002 and was not corrected until 10-Oct-2002, during which period is inclusive of the present batch run of drums. Per discussions among the Independent Technical Reviewer, Expert Reviewer and the Technical QA Supervisor, as well as in consultation with John Fleissner, Technical Point of Contact from Canberra, the analytical results are technically reliable. All QC standard runs during this period were in control. Data packet for SGS Batch 2002-13 generated using passive gamma-ray spectroscopy with the Pu Facility SGS unit is technically reasonable. All QC samples are in compliance with establiShed control limits. The batch data packet has been reviewed for correctness, completeness, consistency and compliance with WIPP's Quality Assurance Objectives and determined to be acceptable.

  1. Biodegradability of industrial textile wastewater - batch tests.

    PubMed

    Paździor, Katarzyna; Klepacz-Smółka, Anna; Wrębiak, Julita; Liwarska-Bizukojć, Ewa; Ledakowicz, Stanisław

    Following new trends we applied oxygen uptake rate (OUR) tests as well as long-term tests (in two batch bioreactors systems) in order to assess the biodegradability of textile wastewater. Effluents coming from a dyeing factory were divided into two streams which differed in inorganic and organic contaminants loads. Usefulness of the stream division was proved. Biodegradation of the low-loaded stream led to over 97% reduction of biochemical oxygen demand (BOD5) together with 80% reduction of chemical oxygen demand (COD) and total organic carbon (TOC). Most of the controlled parameter values were below the levels allowed by legislation for influents to surface water, whereas the high-loaded stream was so contaminated with recalcitrant organic compounds that despite the reduction of BOD5 by over 95%, COD, TOC, total nitrogen and total phosphorus levels exceeded permissible values. OUR tests were aimed at determination of the following kinetic parameters: maximum specific growth rate (μMax), half-saturation constant, hydrolysis constant and decay coefficient for activated sludge biomass for both types of textile wastewater studied. The values of kinetic parameters will be applied in activated sludge models used for prediction and optimisation of biological treatment of textile wastewater.

  2. Equilibrium, kinetic and thermodynamic studies of mercury adsorption on almond shell.

    PubMed

    Khaloo, Shokooh Sadat; Matin, Amir Hossein; Sharifi, Sahar; Fadaeinia, Masoumeh; Kazempour, Narges; Mirzadeh, Shaghayegh

    2012-01-01

    The application of almond shell as a low cost natural adsorbent to remove Hg(2+) from aqueous solution was investigated. Batch experiments were carried out to evaluate the adsorption capacity of the material. The chemical and physical parameters such as pH, sorbent amount, initial ion concentration, and contact time were optimized for the maximum uptake of mercury onto the solid surface. Adsorption isotherms were expressed by Langmuir and Freundlich adsorption models, and the experimental data were found to fit the Langmuir model rather than the Freundlich. The maximum adsorption capacity obtained from the Langmuir isotherm was 135.13 mg/g. A kinetic study was carried out with pseudo-first-order and pseudo-second-order reaction equations and it was found that the Hg(2+) uptake process followed the pseudo-second-order rate expression. The thermodynamic values, ΔG(0), ΔH(0) and ΔS(0), indicated that adsorption was an endothermic and spontaneous process. The potential of this material for mercury elimination was demonstrated by efficient Hg(2+) removal from a synthetic effluent.

  3. Thermodynamics of Radiation Modes

    ERIC Educational Resources Information Center

    Pina, Eduardo; de la Selva, Sara Maria Teresa

    2010-01-01

    We study the equilibrium thermodynamics of the electromagnetic radiation in a cavity of a given volume and temperature. We found three levels of description, the thermodynamics of one mode, the thermodynamics of the distribution of frequencies in a band by summing over the frequencies in it and the global thermodynamics by summing over all the…

  4. Thermodynamics of Radiation Modes

    ERIC Educational Resources Information Center

    Pina, Eduardo; de la Selva, Sara Maria Teresa

    2010-01-01

    We study the equilibrium thermodynamics of the electromagnetic radiation in a cavity of a given volume and temperature. We found three levels of description, the thermodynamics of one mode, the thermodynamics of the distribution of frequencies in a band by summing over the frequencies in it and the global thermodynamics by summing over all the…

  5. Uptake and withdrawal of droplets from carbon nanotubes

    NASA Astrophysics Data System (ADS)

    Schebarchov, D.; Hendy, S. C.

    2011-01-01

    We give an account of recent studies of droplet uptake and withdrawal from carbon nanotubes using simple theoretical arguments and molecular dynamics simulations. Firstly, the thermodynamics of droplet uptake and release is considered and tested via simulation. We show that the Laplace pressure acting on a droplet assists capillary uptake, allowing sufficiently small non-wetting droplets to be absorbed. We then demonstrate how the uptake and release of droplets of non-wetting fluids can be exploited for the use of carbon nanotubes as nanopipettes. Finally, we extend the Lucas-Washburn model to deal with the dynamics of droplet capillary uptake, and again test this by comparison with molecular dynamics simulations.

  6. Uptake of Nickel by Synthetic Mackinawite

    EPA Science Inventory

    The uptake of aqueous Ni(II) by synthetic mackinawite (FeS) was examined in anaerobic batch experiments at near-neutral pH (5.2 to 8.4). Initial molar ratios of Ni(II) to FeS ranged from 0.008 to 0.83 and maximum Ni concentrations in mackinawite, expressed as the cation mol fract...

  7. A Model-based B2B (Batch to Batch) Control for An Industrial Batch Polymerization Process

    NASA Astrophysics Data System (ADS)

    Ogawa, Morimasa

    This paper describes overview of a model-based B2B (batch to batch) control for an industrial batch polymerization process. In order to control the reaction temperature precisely, several methods based on the rigorous process dynamics model are employed at all design stage of the B2B control, such as modeling and parameter estimation of the reaction kinetics which is one of the important part of the process dynamics model. The designed B2B control consists of the gain scheduled I-PD/II2-PD control (I-PD with double integral control), the feed-forward compensation at the batch start time, and the model adaptation utilizing the results of the last batch operation. Throughout the actual batch operations, the B2B control provides superior control performance compared with that of conventional control methods.

  8. Measuring Thermodynamic Length

    SciTech Connect

    Crooks, Gavin E

    2007-09-07

    Thermodynamic length is a metric distance between equilibrium thermodynamic states. Among other interesting properties, this metric asymptotically bounds the dissipation induced by a finite time transformation of a thermodynamic system. It is also connected to the Jensen-Shannon divergence, Fisher information, and Rao's entropy differential metric. Therefore, thermodynamic length is of central interestin understanding matter out of equilibrium. In this Letter, we will consider how to denethermodynamic length for a small system described by equilibrium statistical mechanics and how to measure thermodynamic length within a computer simulation. Surprisingly, Bennett's classic acceptance ratio method for measuring free energy differences also measures thermodynamic length.

  9. Adding coal dust to coal batch

    SciTech Connect

    V.S. Shved; A.V.Berezin

    2009-05-15

    The granulometric composition of coke dust from the dry-slaking machine is determined. The influence of additions of 3-7% coke dust on the quality of industrial coking batch and the coke obtained by box coking is estimated. Adding 1% coke dust to coking batch does not markedly change the coke quality. Industrial equipment for the supply of dry-slaking dust to the batch is described.

  10. Plutonium immobilization feed batching system concept report

    SciTech Connect

    Erickson, S.

    2000-07-19

    The Plutonium Immobilization Facility will encapsulate plutonium in ceramic pucks and seal the pucks inside welded cans. Remote equipment will place these cans in magazines and the magazines in a Defense Waste Processing Facility (DWPF) canister. The DWPF will fill the canister with high level waste glass for permanent storage. Feed batching is one of the first process steps involved with first stage plutonium immobilization. It will blend plutonium oxide powder before it is combined with other materials to make pucks. This report discusses the Plutonium Immobilization feed batching process preliminary concept, batch splitting concepts, and includes a process block diagram, concept descriptions, a preliminary equipment list, and feed batching development areas.

  11. Chemical thermodynamics: plenary review.

    NASA Astrophysics Data System (ADS)

    Fegley, B., Jr.

    1990-05-01

    The invited and contributed papers dealing with the applications of chemical thermodynamics to planetary atmospheres research are briefly reviewed. The key areas for future applications of chemical thermodynamics research to planetary atmospheres are also described.

  12. Kinetics studies of uranium sorption by powdered corn cob in batch and fixed bed system

    PubMed Central

    Mahmoud, Mohamed A.

    2015-01-01

    Sorption of uranium (VI) from aqueous solution onto powdered corn cob has been carried out using batch and fixed-bed technique. The experimental results in batch technique were fitted well with pseudo second-order kinetics model. In the fixed bed technique, Thomas and Bohart–Adams models were evaluated by linear regression analysis for U(VI) uptake in different flow rates, bed heights and initial concentrations. The column experimental data were fitted well with Thomas mode (r2 = 0.999), but the Bohart–Adams model (r2 = 0.911), predicted poor performance of fixed-bed column. PMID:26843973

  13. Computer Batch Files Shorten Many Complicated Procedures.

    ERIC Educational Resources Information Center

    Deppa, Joan

    1987-01-01

    Defines "batch files," claiming that they can shorten many complicated computer procedures. Describes how batch file was created using the computer program "PC-Write" to streamline the process of creating a work disk and increase students' computer literacy. Lists and discusses each element in the file. Provides references for…

  14. Method and apparatus for melting glass batch

    DOEpatents

    Fassbender, Alexander G.; Walkup, Paul C.; Mudge, Lyle K.

    1988-01-01

    A glass melting system involving preheating, precalcining, and prefluxing of batch materials prior to injection into a glass furnace. The precursors are heated by convection rather than by radiation in present furnaces. Upon injection into the furnace, batch materials are intimately coated with molten flux so as to undergo or at least begin the process of dissolution reaction prior to entering the melt pool.

  15. Removal of 4-Chlorophenol from Contaminated Water Using Activated Carbon from Dried Date Pits: Equilibrium, Kinetics, and Thermodynamics Analyses

    PubMed Central

    Allaboun, Hussein; Abu Al-Rub, Fahmi A.

    2016-01-01

    Five different activated carbons (ACs) have been prepared from dried date pits using air and phosphoric acid as activating agents. The used phosphoric acid:date pit ratio dictated the characteristics of the prepared ACs; the equivalent BET-nitrogen surface area varied from 794 m2/g for a ratio of 5:1, to 1707 m2/g for a ratio of 2:1, whereas the micropore volume changed in value from 0.24 cm3/g for the 5:1 ratio to 0.59 cm3/g for the 2:1 ratio. The prepared ACs were tested to remove 4-chlorophenol (4-CP) from aqueous solutions by means of batch adsorption process. The prepared 2:1 AC exhibited the highest uptake with a maximum of 525 mg/g. Equilibrium pH studies showed that 4-CP removal was pH dependent; the maximum uptake occurred at an equilibrium pH value of 5.5. Dynamic studies showed that 4-CP uptake on 2:1 AC is rapid, with 80% of the maximum uptake achieved during the first 40 min. Both surface adsorption and intraparticle diffusion were identified to be effective adsorption mechanisms. Kinetic studies indicated a pseudo second-order reaction. Results of equilibrium adsorption experiments showed that the adsorption of the 4-CP on 2:1 AC is best described by the Langmuir model. The thermodynamics parameters of the adsorption (ΔG0, ΔH0, and ΔS0) were determined by studying the adsorption equilibrium at different temperatures. The values of these parameters indicated the spontaneous and endothermic nature of the adsorption phenomenon of 4-CP on the prepared ACs. PMID:28773378

  16. [Governmental batch sample testing of allergen products].

    PubMed

    Bartel, D; Führer, F; Vieths, S

    2012-03-01

    Allergen products for specific immunotherapy of type I allergies were first authorized for the German market in the 1970s. In addition to finished products manufactured in advance and in batches, so-called named patient products have recently been defined as Medicinal Products by the German Medicinal Products Act ("Arzneimittelgesetz", AMG 14th Revision 2005). Some allergen products previously marketed as named patient products are now required to obtain marketing authorization according to the German ordinance for therapy allergens. Products have to be batch released by the competent German Federal Agency, the Paul-Ehrlich-Institut (PEI). Samples of product batches are delivered to the PEI in order to perform experimental quality controls. With regard to named patient products, PEI tests batch samples of the bulk extract preparations used for manufacturing of the respective, named patient products. The institute releases approximately 2,800 allergen product batches annually.

  17. Batch Scheduling a Fresh Approach

    NASA Technical Reports Server (NTRS)

    Cardo, Nicholas P.; Woodrow, Thomas (Technical Monitor)

    1994-01-01

    The Network Queueing System (NQS) was designed to schedule jobs based on limits within queues. As systems obtain more memory, the number of queues increased to take advantage of the added memory resource. The problem now becomes too many queues. Having a large number of queues provides users with the capability to gain an unfair advantage over other users by tailoring their job to fit in an empty queue. Additionally, the large number of queues becomes confusing to the user community. The High Speed Processors group at the Numerical Aerodynamics Simulation (NAS) Facility at NASA Ames Research Center developed a new approach to batch job scheduling. This new method reduces the number of queues required by eliminating the need for queues based on resource limits. The scheduler examines each request for necessary resources before initiating the job. Also additional user limits at the complex level were added to provide a fairness to all users. Additional tools which include user job reordering are under development to work with the new scheduler. This paper discusses the objectives, design and implementation results of this new scheduler

  18. Batch Scheduling a Fresh Approach

    NASA Technical Reports Server (NTRS)

    Cardo, Nicholas P.; Woodrow, Thomas (Technical Monitor)

    1994-01-01

    The Network Queueing System (NQS) was designed to schedule jobs based on limits within queues. As systems obtain more memory, the number of queues increased to take advantage of the added memory resource. The problem now becomes too many queues. Having a large number of queues provides users with the capability to gain an unfair advantage over other users by tailoring their job to fit in an empty queue. Additionally, the large number of queues becomes confusing to the user community. The High Speed Processors group at the Numerical Aerodynamics Simulation (NAS) Facility at NASA Ames Research Center developed a new approach to batch job scheduling. This new method reduces the number of queues required by eliminating the need for queues based on resource limits. The scheduler examines each request for necessary resources before initiating the job. Also additional user limits at the complex level were added to provide a fairness to all users. Additional tools which include user job reordering are under development to work with the new scheduler. This paper discusses the objectives, design and implementation results of this new scheduler

  19. Uneven batch data alignment with application to the control of batch end-product quality.

    PubMed

    Wan, Jian; Marjanovic, Ognjen; Lennox, Barry

    2014-03-01

    Batch processes are commonly characterized by uneven trajectories due to the existence of batch-to-batch variations. The batch end-product quality is usually measured at the end of these uneven trajectories. It is necessary to align the time differences for both the measured trajectories and the batch end-product quality in order to implement statistical process monitoring and control schemes. Apart from synchronizing trajectories with variable lengths using an indicator variable or dynamic time warping, this paper proposes a novel approach to align uneven batch data by identifying short-window PCA&PLS models at first and then applying these identified models to extend shorter trajectories and predict future batch end-product quality. Furthermore, uneven batch data can also be aligned to be a specified batch length using moving window estimation. The proposed approach and its application to the control of batch end-product quality are demonstrated with a simulated example of fed-batch fermentation for penicillin production. Copyright © 2013 ISA. Published by Elsevier Ltd. All rights reserved.

  20. Thermal Analysis of Waste Glass Batches: Effect of Batch Makeup on Gas-Evolving Reactions

    SciTech Connect

    Pierce, David A.; Hrma, Pavel R.; Marcial, Jose

    2013-01-21

    Batches made with a variety of precursors were subjected to thermo-gravimetric analysis. The baseline modifications included all-nitrate batch with sucrose addition, all-carbonate batch, and batches with different sources of alumina. All batches were formulated for a single glass composition (a vitrified simulated high-alumina high-level waste). Batch samples were heated from the ambient temperature to 1200°C at constant heating rates ranging from 1 K/min to 50 K/min. Major gas evolving reactions began at temperatures just above 100°C and were virtually complete by 650°C. Activation energies for major reactions were obtained with the Kissinger’s method. A rough model for the overall kinetics of the batch-conversion was developed to be eventually applied to a mathematical model of the cold cap.

  1. Batch Proving and Proof Scripting in PVS

    NASA Technical Reports Server (NTRS)

    Munoz, Cesar A.

    2007-01-01

    The batch execution modes of PVS are powerful, but highly technical, features of the system that are mostly accessible to expert users. This paper presents a PVS tool, called ProofLite, that extends the theorem prover interface with a batch proving utility and a proof scripting notation. ProofLite enables a semi-literate proving style where specification and proof scripts reside in the same file. The goal of ProofLite is to provide batch proving and proof scripting capabilities to regular, non-expert, users of PVS.

  2. Chromium (VI) purification using pine sawdust in batch systems

    NASA Astrophysics Data System (ADS)

    Politi, Dorothea; Sidiras, Dimitris

    2012-12-01

    Pine sawdust, a waste generated in furniture industry, has been used as low-cost potential adsorbent. This low-cost adsorbent was used for the removal of chromium (VI) from an aqueous solution. The kinetics of adsorption and extent of adsorption at equilibrium are dependent on the physical and chemical characteristics of the adsorbent and adsorbate. The effect of hydrogen ion concentration, contact time, adsorbent dose and initial concentration of adsorbate on the uptake of chromium were studied in batch experiments. The adsorption data has been correlated with Lagergren - Eldridge pseudofirst order kinetic model. The efficiency of adsorbent material for the removal of Cr(VI) was found to be between 13.1 and 95.6%, respectively. These results depend on the conditions of pH, contact time, sawdust dose and Cr(VI) concentration.

  3. Thermodynamics of Bioreactions.

    PubMed

    Held, Christoph; Sadowski, Gabriele

    2016-06-07

    Thermodynamic principles have been applied to enzyme-catalyzed reactions since the beginning of the 1930s in an attempt to understand metabolic pathways. Currently, thermodynamics is also applied to the design and analysis of biotechnological processes. The key thermodynamic quantity is the Gibbs energy of reaction, which must be negative for a reaction to occur spontaneously. However, the application of thermodynamic feasibility studies sometimes yields positive Gibbs energies of reaction even for reactions that are known to occur spontaneously, such as glycolysis. This article reviews the application of thermodynamics in enzyme-catalyzed reactions. It summarizes the basic thermodynamic relationships used for describing the Gibbs energy of reaction and also refers to the nonuniform application of these relationships in the literature. The review summarizes state-of-the-art approaches that describe the influence of temperature, pH, electrolytes, solvents, and concentrations of reacting agents on the Gibbs energy of reaction and, therefore, on the feasibility and yield of biological reactions.

  4. DETAIL VIEW OF BATCH CAR, BUILT BY ATLAS CAR & ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    DETAIL VIEW OF BATCH CAR, BUILT BY ATLAS CAR & MANUFACTURING COMPANY. BATCH STORAGE SILOS IN BACKGROUND - Chambers Window Glass Company, Batch Plant, North of Drey (Nineteenth) Street, West of Constitution Boulevard, Arnold, Westmoreland County, PA

  5. Stochastic Thermodynamics of Learning

    NASA Astrophysics Data System (ADS)

    Goldt, Sebastian; Seifert, Udo

    2017-01-01

    Virtually every organism gathers information about its noisy environment and builds models from those data, mostly using neural networks. Here, we use stochastic thermodynamics to analyze the learning of a classification rule by a neural network. We show that the information acquired by the network is bounded by the thermodynamic cost of learning and introduce a learning efficiency η ≤1 . We discuss the conditions for optimal learning and analyze Hebbian learning in the thermodynamic limit.

  6. Thermodynamics of Organic Compounds

    DTIC Science & Technology

    1981-01-01

    Organic Compounds by I A. Hossenlopp and D. W. Scott -- Journal of Chemical Thermodynamics , 13, No. 5, 405-414 (1981). t 1 I- i !I *1 I I ~ I [LI...National Bureau of Standards CINDAS Chemical Thermodynamics Division Purdue University Research Park Attn: Dr Stan Abramowitz Attn: Dr H H Li Mr David... Chemical Thermodynamics Division AFAOL/RJT (Dr 7 D Stull) Attn: Mr Donald D Wagman Wright-Patterson AFB, OH 45433 Washington, DC 20234 U.S. Army

  7. Sequencing batch reactor performance treating PAH contaminated lagoon sediments.

    PubMed

    Giordano, Andrea; Stante, Loredana; Pirozzi, Francesco; Cesaro, Raffaele; Bortone, Giuseppe

    2005-03-17

    The applicability of sediment slurry sequencing batch reactors (SBR) to treat Venice lagoon sediments contaminated by polycyclic aromatic hydrocarbons (PAHs) was investigated, carrying out experimental tests. The slurry, obtained mixing tap water and contaminated sediments with 17.1 mg kg(-1) TS total PAHs content, was loaded to a 8l lab-scale completely stirred reactor, operated as a sequencing batch reactor. Oxygen uptake rate exerted by the slurry, measured by means of a DO-stat titrator, was used to monitor the in-reactor biological activity and to select the optimal operating conditions for the sediment slurry SBR. The PAHs removal efficiency was evaluated in different operating conditions, obtained changing the hydraulic retention time (HRT) of the lab-scale reactor and adding an external carbon source to the slurry. HRT values used during the experiments are 98, 70 and 35 days, whereas the carbon source was added in order to evaluate its effect on the biological activity. The results have shown a stable degradation of PAHs, with a removal efficiency close to 55%, not dependent on the addition of carbon source and the tested HRTs.

  8. High-temperature thermodynamics.

    NASA Technical Reports Server (NTRS)

    Margrave, J. L.

    1967-01-01

    High temperature thermodynamics requiring species and phases identification, crystal structures, molecular geometries and vibrational, rotational and electronic energy levels and equilibrium constants

  9. BatchQC: interactive software for evaluating sample and batch effects in genomic data.

    PubMed

    Manimaran, Solaiappan; Selby, Heather Marie; Okrah, Kwame; Ruberman, Claire; Leek, Jeffrey T; Quackenbush, John; Haibe-Kains, Benjamin; Bravo, Hector Corrada; Johnson, W Evan

    2016-12-15

    Sequencing and microarray samples often are collected or processed in multiple batches or at different times. This often produces technical biases that can lead to incorrect results in the downstream analysis. There are several existing batch adjustment tools for '-omics' data, but they do not indicate a priori whether adjustment needs to be conducted or how correction should be applied. We present a software pipeline, BatchQC, which addresses these issues using interactive visualizations and statistics that evaluate the impact of batch effects in a genomic dataset. BatchQC can also apply existing adjustment tools and allow users to evaluate their benefits interactively. We used the BatchQC pipeline on both simulated and real data to demonstrate the effectiveness of this software toolkit.

  10. Intelligent real-time performance monitoring and quality prediction for batch/fed-batch cultivations.

    PubMed

    Undey, Cenk; Tatara, Eric; Cinar, Ali

    2004-02-19

    Supervision of batch bioprocess operations in real-time during the progress of a batch run offers many advantages over end-of-batch quality control. Multivariate statistical techniques such as multiway partial least squares (MPLS) provide an efficient modeling and supervision framework. A new type of MPLS modeling technique that is especially suitable for online real-time process monitoring and the multivariate monitoring charts are presented. This online process monitoring technique is also extended to include predictions of end-of-batch quality measurements during the progress of a batch run. Process monitoring, quality estimation and fault diagnosis activities are automated and supervised by embedding them into a real-time knowledge-based system (RTKBS). Interpretation of multivariate charts is also automated through a generic rule-base for efficient alarm handling. The integrated RTKBS and the implementation of MPLS-based process monitoring and quality control are illustrated using a fed-batch penicillin production benchmark process simulator.

  11. Thermodynamics and bioenergetics.

    PubMed

    Demirel, Y; Sandler, S I

    2002-06-19

    Bioenergetics is concerned with the energy conservation and conversion processes in a living cell, particularly in the inner membrane of the mitochondrion. This review summarizes the role of thermodynamics in understanding the coupling between the chemical reactions and the transport of substances in bioenergetics. Thermodynamics has the advantages of identifying possible pathways, providing a measure of the efficiency of energy conversion, and of the coupling between various processes without requiring a detailed knowledge of the underlying mechanisms. In the last five decades, various new approaches in thermodynamics, non-equilibrium thermodynamics and network thermodynamics have been developed to understand the transport and rate processes in physical and biological systems. For systems not far from equilibrium the theory of linear non-equilibrium thermodynamics is used, while extended non-equilibrium thermodynamics is used for systems far away from equilibrium. All these approaches are based on the irreversible character of flows and forces of an open system. Here, linear non-equilibrium thermodynamics is mostly discussed as it is the most advanced. We also review attempts to incorporate the mechanisms of a process into some formulations of non-equilibrium thermodynamics. The formulation of linear non-equilibrium thermodynamics for facilitated transport and active transport, which represent the key processes of coupled phenomena of transport and chemical reactions, is also presented. The purpose of this review is to present an overview of the application of non-equilibrium thermodynamics to bioenergetics, and introduce the basic methods and equations that are used. However, the reader will have to consult the literature reference to see the details of the specific applications.

  12. Strontium Uptake by Cementitious Materials

    SciTech Connect

    Wieland,E.; Tits, J.; Kunz, D.; Dahn, R.

    2008-01-01

    Wet chemistry experiments and X-ray absorption fine structure (XAFS) measurements were carried out to investigate the immobilization of nonradioactive Sr and 85Sr in calcite-free and calcite-containing Portland cement. The partitioning of pristine Sr between hardened cement paste (HCP) and pore solution, and the uptake of 85Sr and nonradioactive Sr were investigated in batch-type sorption/desorption experiments. Sr uptake by HCP was found to be fast and nearly linear for both cements, indicating that differences in the compositions of the two cements have no influence on Sr binding. The partitioning of pristine Sr bound in the cement matrix and 85Sr between HCP and pore solution could be modeled in terms of a reversible sorption process using similar Kd values. These findings allow 85Sr uptake to be interpreted in terms of an isotopic exchange process with pristine Sr. Sr K-edge EXAFS measurements on Sr doped HCP and calcium silicate hydrate (C-S-H) samples reveal no significant differences in the local coordination environments of pristine Sr and Sr bound to the cement matrix upon sorption. The first coordination sphere consists of five to six oxygen atoms located at a distance of about 2.6 Angstroms, which corresponds to Sr-O distances in the hydration sphere of Sr2+ in alkaline solution. Sr binds to the cement matrix via two bridging oxygen atoms located at a distance of about 3.6 Angstroms. No further neighboring atoms could be detected, indicating that Sr is taken up as a partially hydrated species by HCP. Wet chemistry and spectroscopic data further indicate that Sr binding to C-S-H phases is likely to be the controlling uptake mechanism in the cement matrix, which allows Sr uptake by HCP to be predicted based on a Ca-Sr ion exchange model previously developed for Sr binding to C-S-H phases. The latter finding suggests that long-term predictions of Sr immobilization in the cementitious near field of repositories for radioactive waste can be based on a

  13. Dissipation of hydrological tracers and the herbicide S-metolachlor in batch and continuous-flow wetlands.

    PubMed

    Maillard, Elodie; Lange, Jens; Schreiber, Steffi; Dollinger, Jeanne; Herbstritt, Barbara; Millet, Maurice; Imfeld, Gwenaël

    2016-02-01

    Pesticide dissipation in wetland systems with regard to hydrological conditions and operational modes is poorly known. Here, we investigated in artificial wetlands the impact of batch versus continuous-flow modes on the dissipation of the chiral herbicide S-metolachlor (S-MET) and hydrological tracers (bromide, uranine and sulforhodamine B). The wetlands received water contaminated with the commercial formulation Mercantor Gold(®) (960 g L(-1) of S-MET, 87% of the S-enantiomer). The tracer mass budget revealed that plant uptake, sorption, photo- and presumably biodegradation were prominent under batch mode (i.e. characterized by alternating oxic-anoxic conditions), in agreement with large dissipation of S-MET (90%) under batch mode. Degradation was the main dissipation pathway of S-MET in the wetlands. The degradate metolachlor oxanilic acid (MOXA) mainly formed under batch mode, whereas metolachlor ethanesulfonic acid (MESA) prevailed under continuous-flow mode, suggesting distinct degradation pathways in each wetland. R-enantiomer was preferentially degraded under batch mode, which indicated enantioselective biodegradation. The release of MESA and MOXA by the wetlands as well as the potential persistence of S-MET compared to R-MET under both oxic and anoxic conditions may be relevant for groundwater and ecotoxicological risk assessment. This study shows the effect of batch versus continuous modes on pollutant dissipation in wetlands, and that alternate biogeochemical conditions under batch mode enhance S-MET biodegradation. Copyright © 2015 Elsevier Ltd. All rights reserved.

  14. Student Misconceptions in Thermodynamics.

    ERIC Educational Resources Information Center

    Granville, Mark F.

    1985-01-01

    Discusses misconceptions (in several thermodynamics statements) that seem to be particularly common among students who have finished a one-semester, junior-level course in chemical thermodynamics. When presented as true/false questions, these statements are usually judged true, although each requires at least one more condition to be satisfied.…

  15. Thermodynamics and Gravity,

    DTIC Science & Technology

    symmetry of the spacetime coordinates of the region in which the gravity field is located. The form of the laws of thermodynamics for matter located in a...gravity field is investigated by applying the broken spacetime symmetry forms of the first and second laws of thermodynamics. In a gravity field the

  16. Thermodynamics and combustion modeling

    NASA Technical Reports Server (NTRS)

    Zeleznik, Frank J.

    1986-01-01

    Modeling fluid phase phenomena blends the conservation equations of continuum mechanics with the property equations of thermodynamics. The thermodynamic contribution becomes especially important when the phenomena involve chemical reactions as they do in combustion systems. The successful study of combustion processes requires (1) the availability of accurate thermodynamic properties for both the reactants and the products of reaction and (2) the computational capabilities to use the properties. A discussion is given of some aspects of the problem of estimating accurate thermodynamic properties both for reactants and products of reaction. Also, some examples of the use of thermodynamic properties for modeling chemically reacting systems are presented. These examples include one-dimensional flow systems and the internal combustion engine.

  17. Thermodynamic estimation: Ionic materials

    SciTech Connect

    Glasser, Leslie

    2013-10-15

    Thermodynamics establishes equilibrium relations among thermodynamic parameters (“properties”) and delineates the effects of variation of the thermodynamic functions (typically temperature and pressure) on those parameters. However, classical thermodynamics does not provide values for the necessary thermodynamic properties, which must be established by extra-thermodynamic means such as experiment, theoretical calculation, or empirical estimation. While many values may be found in the numerous collected tables in the literature, these are necessarily incomplete because either the experimental measurements have not been made or the materials may be hypothetical. The current paper presents a number of simple and relible estimation methods for thermodynamic properties, principally for ionic materials. The results may also be used as a check for obvious errors in published values. The estimation methods described are typically based on addition of properties of individual ions, or sums of properties of neutral ion groups (such as “double” salts, in the Simple Salt Approximation), or based upon correlations such as with formula unit volumes (Volume-Based Thermodynamics). - Graphical abstract: Thermodynamic properties of ionic materials may be readily estimated by summation of the properties of individual ions, by summation of the properties of ‘double salts’, and by correlation with formula volume. Such estimates may fill gaps in the literature, and may also be used as checks of published values. This simplicity arises from exploitation of the fact that repulsive energy terms are of short range and very similar across materials, while coulombic interactions provide a very large component of the attractive energy in ionic systems. Display Omitted - Highlights: • Estimation methods for thermodynamic properties of ionic materials are introduced. • Methods are based on summation of single ions, multiple salts, and correlations. • Heat capacity, entropy

  18. Selenium Uptake and Volatilization by Marine Algae

    NASA Astrophysics Data System (ADS)

    Luxem, Katja E.; Vriens, Bas; Wagner, Bettina; Behra, Renata; Winkel, Lenny H. E.

    2015-04-01

    Selenium (Se) is an essential trace nutrient for humans. An estimated one half to one billion people worldwide suffer from Se deficiency, which is due to low concentrations and bioavailability of Se in soils where crops are grown. It has been hypothesized that more than half of the atmospheric Se deposition to soils is derived from the marine system, where microorganisms methylate and volatilize Se. Based on model results from the late 1980s, the atmospheric flux of these biogenic volatile Se compounds is around 9 Gt/year, with two thirds coming from the marine biosphere. Algae, fungi, and bacteria are known to methylate Se. Although algal Se uptake, metabolism, and methylation influence the speciation and bioavailability of Se in the oceans, these processes have not been quantified under environmentally relevant conditions and are likely to differ among organisms. Therefore, we are investigating the uptake and methylation of the two main inorganic Se species (selenate and selenite) by three globally relevant microalgae: Phaeocystis globosa, the coccolithophorid Emiliania huxleyi, and the diatom Thalassiosira oceanica. Selenium uptake and methylation were quantified in a batch experiment, where parallel gas-tight microcosms in a climate chamber were coupled to a gas-trapping system. For E. huxleyi, selenite uptake was strongly dependent on aqueous phosphate concentrations, which agrees with prior evidence that selenite uptake by phosphate transporters is a significant Se source for marine algae. Selenate uptake was much lower than selenite uptake. The most important volatile Se compounds produced were dimethyl selenide, dimethyl diselenide, and dimethyl selenyl sulfide. Production rates of volatile Se species were larger with increasing intracellular Se concentration and in the decline phase of the alga. Similar experiments are being carried out with P. globosa and T. oceanica. Our results indicate that marine algae are important for the global cycling of Se

  19. Iodide interactions with clay minerals: Batch and diffusion studies

    NASA Astrophysics Data System (ADS)

    Miller, A. W.; Kruichak, J.; Mills, M.; Wang, Y.

    2012-12-01

    Clay minerals are likely candidates to aid in nuclear waste isolation due to their low permeability, favorable swelling properties, and high cation sorption capacities. Iodine-129 is often the major driver of exposure risk from nuclear waste repositories at timescales >10,000 years. Therefore, understanding the geochemical cycling of iodine in clays is critical in developing defensible quantitative descriptions of nuclear waste disposal. Anions are not typically considered to interact with most clays as it is assumed that the fixed negative charge of clays actively repels the dissoloved anion. This is corroborated by many batch studies, but diffusion experiments in compacted clays have shown iodide retardation relative to chloride. The reasons for this are unknown; however, several possible hypotheses include: redox transformation controls on sorption behavior, complex surface charge environments due to overlapping charge domains, and sorption to ancillary minerals or weathering products. Seven different clay minerals have been examined using several techniques to chracterize the surface charge environment and iodide uptake. The use of a series of clays shifts the independent variable away from water chemistry characteristics (pH, contaminant concentration), and toward structural characterisitics of clay minerals including isomorphous substitution and clay texture. Iodide uptake batch experiments were completed with the clay minerals in a range of swamping electrolytes. The results give evidence for a novel uptake mechanism involving ion pair formation and iodide concentration within nano-confined environments. These results were further tested using diffusional columns where nano-confined regimes make up a larger proportion of the total porosity. These columns were compacted to different hydrostatic pressures and saturated with different ionic compositions. Porosity distributions were characterized with a fluoride tracer. Iodide diffusion characteristics were

  20. Growth and Nitrogen Uptake Kinetics in Cultured Prorocentrum donghaiense

    PubMed Central

    Hu, Zhangxi; Duan, Shunshan; Xu, Ning; Mulholland, Margaret R.

    2014-01-01

    We compared growth kinetics of Prorocentrum donghaiense cultures on different nitrogen (N) compounds including nitrate (NO3−), ammonium (NH4+), urea, glutamic acid (glu), dialanine (diala) and cyanate. P. donghaiense exhibited standard Monod-type growth kinetics over a range of N concentraions (0.5–500 μmol N L−1 for NO3− and NH4+, 0.5–50 μmol N L−1 for urea, 0.5–100 μmol N L−1 for glu and cyanate, and 0.5–200 μmol N L−1 for diala) for all of the N compounds tested. Cultures grown on glu and urea had the highest maximum growth rates (μm, 1.51±0.06 d−1 and 1.50±0.05 d−1, respectively). However, cultures grown on cyanate, NO3−, and NH4+ had lower half saturation constants (Kμ, 0.28–0.51 μmol N L−1). N uptake kinetics were measured in NO3−-deplete and -replete batch cultures of P. donghaiense. In NO3−-deplete batch cultures, P. donghaiense exhibited Michaelis-Menten type uptake kinetics for NO3−, NH4+, urea and algal amino acids; uptake was saturated at or below 50 μmol N L−1. In NO3−-replete batch cultures, NH4+, urea, and algal amino acid uptake kinetics were similar to those measured in NO3−-deplete batch cultures. Together, our results demonstrate that P. donghaiense can grow well on a variety of N sources, and exhibits similar uptake kinetics under both nutrient replete and deplete conditions. This may be an important factor facilitating their growth during bloom initiation and development in N-enriched estuaries where many algae compete for bioavailable N and the nutrient environment changes as a result of algal growth. PMID:24710151

  1. Nature of phosphorus uptake and release by organic soils under laboratory conditions

    SciTech Connect

    Mestan, R.J.

    1986-01-01

    The main objective of this laboratory study was to investigate the phosphorus uptake characteristics of wetland organic soils to aid in future predictions concerning the fate of phosphorus-using wetland treatment. The initial phase of this study was devoted to finding a suitable procedure for determining the total phosphorus content of organic soils. A number of different techniques were compared using marsh peat and EPA sludge. The second phase of the study was devoted to determining the phosphorus uptake capabilities of various organic soils under batch laboratory conditions. An attempt was made to identify soil components responsible for phosphorus uptake by statistically correlating uptake with measurable properties that included pH, ash content, native phosphorus, total iron and aluminum as well as extractable iron and aluminum. The third phase of the study was devoted to organic soil phosphorus uptake and retention under leaching conditions. This was accomplished by performing batch laboratory and column tests using artifical wastewater spiked with inorganic phosphates.

  2. A Batch Feeder for Inhomogeneous Bulk Materials

    NASA Astrophysics Data System (ADS)

    Vislov, I. S.; Kladiev, S. N.; Slobodyan, S. M.; Bogdan, A. M.

    2016-04-01

    The work includes the mechanical analysis of mechanical feeders and batchers that find application in various technological processes and industrial fields. Feeders are usually classified according to their design features into two groups: conveyor-type feeders and non-conveyor feeders. Batchers are used to batch solid bulk materials. Less frequently, they are used for liquids. In terms of a batching method, they are divided into volumetric and weighting batchers. Weighting batchers do not provide for sufficient batching accuracy. Automatic weighting batchers include a mass controlling sensor and systems for automatic material feed and automatic mass discharge control. In terms of operating principle, batchers are divided into gravitational batchers and batchers with forced feed of material using conveyors and pumps. Improved consumption of raw materials, decreased loss of materials, ease of use in automatic control systems of industrial facilities allows increasing the quality of technological processes and improve labor conditions. The batch feeder suggested by the authors is a volumetric batcher that has no comparable counterparts among conveyor-type feeders and allows solving the problem of targeted feeding of bulk material batches increasing reliability and hermeticity of the device.

  3. Energy efficiency of batch and semi-batch (CCRO) reverse osmosis desalination.

    PubMed

    Warsinger, David M; Tow, Emily W; Nayar, Kishor G; Maswadeh, Laith A; Lienhard V, John H

    2016-12-01

    As reverse osmosis (RO) desalination capacity increases worldwide, the need to reduce its specific energy consumption becomes more urgent. In addition to the incremental changes attainable with improved components such as membranes and pumps, more significant reduction of energy consumption can be achieved through time-varying RO processes including semi-batch processes such as closed-circuit reverse osmosis (CCRO) and fully-batch processes that have not yet been commercialized or modelled in detail. In this study, numerical models of the energy consumption of batch RO (BRO), CCRO, and the standard continuous RO process are detailed. Two new energy-efficient configurations of batch RO are analyzed. Batch systems use significantly less energy than continuous RO over a wide range of recovery ratios and source water salinities. Relative to continuous RO, models predict that CCRO and batch RO demonstrate up to 37% and 64% energy savings, respectively, for brackish water desalination at high water recovery. For batch RO and CCRO, the primary reductions in energy use stem from atmospheric pressure brine discharge and reduced streamwise variation in driving pressure. Fully-batch systems further reduce energy consumption by not mixing streams of different concentrations, which CCRO does. These results demonstrate that time-varying processes can significantly raise RO energy efficiency.

  4. [Repeated batch and fed-batch process for astaxanthin production by Phaffia rhodozyma].

    PubMed

    Xiao, Anfeng; Ni, Hui; Li, Lijun; Cai, Huinong

    2011-04-01

    A comparative study of batch and repeated batch process was carried out for astaxanthin fermentation of Phaffia rhodozyma to develop a more economical method for astaxanthin industrial production. In shaking flask fermentation, the change of biomass and astaxanthin production was studied to compare the five-day cycle with four-day cycle of repeated batch culture of P. rhodozyma. Astaxanthin production increased at first and then decreased subsequently in seven cycles, yet the yield of astaxanthin in the next six cycles remains higher than that of the first cycle. Comparing the average production of astaxanthin in the seven cycles, four-day cycle performed even better than five-day cycle. Subsequently, a repeated fed-batch process was used in a 5-1 bioreactor. The experimental data showed that biomass and astaxanthin production of the second batch could reach the level of the first batch, no matter that the carbon source was glucose or hydrolysis sugar of starch. This result showed that this strain had good stability, and thus repeated batch and fed-batch process could be applied in astaxanthin fermentation for economical purpose.

  5. Quality and Batch-to-Batch Consistency of Original and Biosimilar Epoetin Products.

    PubMed

    Halim, Liem Andhyk; Brinks, Vera; Jiskoot, Wim; Romeijn, Stefan; Haselberg, Rob; Burns, Chris; Wadhwa, Meenu; Schellekens, Huub

    2016-02-01

    Comprehensive physicochemical characterization and biological assays are essential parts in assessing quality attributes of biologicals. Here, we compared the quality of different marketed recombinant human erythropoietin (epoetin) products: originators, Eprex and NeoRecormon as well as 2 biosimilars, Retacrit and Binocrit. In addition, assessment of batch-to-batch variability was included by collecting 2 or more batches of each product. Common assays which included sodium dodecyl sulfate-polyacrylamide gel electrophoresis, high-performance size-exclusion chromatography, asymmetrical flow field-flow fractionation, capillary zone electrophoresis, and potency testing were used. Of the tested products and among batches of single products, variations in epoetin content, isoform profiles, and potency were found. Ultimately, this study demonstrated the high quality of epoetin products with some degree of variation among products and batches, confirming the "similar but not identical" paradigm of biologicals. Copyright © 2016. Published by Elsevier Inc.

  6. Kinetics of enzymatic hydrolysis of olive oil in batch and fed-batch systems.

    PubMed

    Cabral, Paloma Souza; Filho, Arion Zandoná; Voll, Fernando Augusto Pedersen; Corazza, Marcos Lúcio

    2014-07-01

    This work reports experimental data, kinetic modeling, and simulations of enzyme-catalyzed hydrolysis of olive oil. This reaction was performed in batch system and an ordered-sequential Bi Bi model was used to model the kinetic mechanism. A fed-batch system was proposed and experimental data were obtained and compared to the simulated values. The kinetic model used was able to correlate the experimental data, in which a satisfactory agreement between the experimental data and modeling results was obtained under different enzyme concentration and initial free water content. Therefore, the modeling allowed a better understanding of the reaction kinetics and affords a fed-batch simulation for this system. From the results obtained, it was observed that the fed-batch approach showed to be more advantageous when compared to the conventional batch system.

  7. Wormholes and thermodynamics

    NASA Astrophysics Data System (ADS)

    González-Díaz, Pedro F.

    1996-07-01

    Hawking has recently pointed out that black holes cannot evaporate and disappear through wormholes because the entropy of a baby universe would not equal its size squared times some proportionality constant. In this report it is shown that multiply connected Euclidean wormhole spacetimes can be associated with nonlinear dynamic laws which are analogous to those of nonequilibrium thermodynamics, making plausible a full generalization of thermodynamics encompassing both nonequilibrium and gravitational effects. It is seen that both at equilibrium and out of it baby universe thermodynamics can provide the right relation between the size of the originating black hole and its entropy.

  8. A batch and fixed bed column study for fluorescein removal using chitosan modified by epichlorohydrin.

    PubMed

    Silva, P M O; Francisco, J E; Cajé, J C M; Cassella, R J; Pacheco, W F

    2017-09-29

    This study evaluates the feasibility of commercial chitosan (CQ) and modified chitosan (MQ) by epichlorohydrin to be used as a solid phase to remove fluorescein (FSC) from aqueous solutions by two different approaches: in batch and on a fixed column bed. For the batch study, all parameters that influence sorption capacity were evaluated, such as: pH, mass, ionic strength, temperature and time of contact. In the optimized condition, 75% removal was obtained for FSC using CQ, while the modification allowed an increase up to 99%, as well as an increase in the stability of the polymer. In the fixed column bed study, the influence of all the parameters was evaluated through breakthrough curves, and the thermodynamics parameters of each approach were obtained. The results of these studies demonstrate that the modification with epichlorohydrin enhanced the sorptive properties (from 35% to 95% in fixed bed experiments) and the polymer stability (making it insoluble), making it suitable to be used in wastewater treatment.

  9. A biochemically structured model for ethanol fermentation by Kluyveromyces marxianus: A batch fermentation and kinetic study.

    PubMed

    Sansonetti, S; Hobley, T J; Calabrò, V; Villadsen, J; Sin, G

    2011-08-01

    Anaerobic batch fermentations of ricotta cheese whey (i.e. containing lactose) were performed under different operating conditions. Ethanol concentrations of ca. 22g L(-1) were found from whey containing ca. 44g L(-1) lactose, which corresponded to up to 95% of the theoretical ethanol yield within 15h. The experimental data could be explained by means of a simple knowledge-driven biochemically structured model that was built on bioenergetics principles applied to the metabolic pathways through which lactose is converted into major products. Use of the model showed that the observed concentrations of ethanol, lactose, biomass and glycerol during batch fermentation could be described within a ca. 6% deviation, as could the yield coefficients for biomass and ethanol produced on lactose. The model structure confirmed that the thermodynamics considerations on the stoichiometry of the system constrain the metabolic coefficients within a physically meaningful range thereby providing valuable and reliable insight into fermentation processes.

  10. Turbopump thermodynamic cooling

    NASA Technical Reports Server (NTRS)

    Patten, T. C.; Mckee, H. B.

    1972-01-01

    System for cooling turbopumps used in cryogenic fluid storage facilities is described. Technique uses thermodynamic propellant vent to intercept pump heat at desired conditions. Cooling system uses hydrogen from outside source or residual hydrogen from cryogenic storage tank.

  11. Electrochemical thermodynamic measurement system

    DOEpatents

    Reynier, Yvan; Yazami, Rachid; Fultz, Brent T.

    2009-09-29

    The present invention provides systems and methods for accurately characterizing thermodynamic and materials properties of electrodes and electrochemical energy storage and conversion systems. Systems and methods of the present invention are configured for simultaneously collecting a suite of measurements characterizing a plurality of interconnected electrochemical and thermodynamic parameters relating to the electrode reaction state of advancement, voltage and temperature. Enhanced sensitivity provided by the present methods and systems combined with measurement conditions that reflect thermodynamically stabilized electrode conditions allow very accurate measurement of thermodynamic parameters, including state functions such as the Gibbs free energy, enthalpy and entropy of electrode/electrochemical cell reactions, that enable prediction of important performance attributes of electrode materials and electrochemical systems, such as the energy, power density, current rate and the cycle life of an electrochemical cell.

  12. Thermodynamics and Frozen Foods.

    ERIC Educational Resources Information Center

    Kerr, William L.; Reid, David S.

    1993-01-01

    The heat content of a food at a given temperature can be described by the thermodynamic property of enthalpy. Presents a method to construct a simple calorimeter for measuring the enthalpy changes of different foods during freezing. (MDH)

  13. Thermodynamics and Frozen Foods.

    ERIC Educational Resources Information Center

    Kerr, William L.; Reid, David S.

    1993-01-01

    The heat content of a food at a given temperature can be described by the thermodynamic property of enthalpy. Presents a method to construct a simple calorimeter for measuring the enthalpy changes of different foods during freezing. (MDH)

  14. Thermodynamics: A Stirling effort

    NASA Astrophysics Data System (ADS)

    Horowitz, Jordan M.; Parrondo, Juan M. R.

    2012-02-01

    The realization of a single-particle Stirling engine pushes thermodynamics into stochastic territory where fluctuations dominate, and points towards a better understanding of energy transduction at the microscale.

  15. Thermodynamics in Fractional Calculus

    NASA Astrophysics Data System (ADS)

    Meilanov, R. P.; Magomedov, R. A.

    2014-11-01

    A generalization of thermodynamics in the formalism of fractional-order derivatives is given. Results of the traditional thermodynamics of Carnot, Clausius, and Helmholtz are obtained in the particular case where the exponent of a fractional-order derivative is equal to unity. A one-parametric "fractal" equation of state is obtained with account of the second virial coefficient. The application of the resulting equation of state in the case of the gas argon is considered.

  16. Thermodynamics of fractal universe

    NASA Astrophysics Data System (ADS)

    Sheykhi, Ahmad; Teimoori, Zeinab; Wang, Bin

    2013-01-01

    We investigate the thermodynamical properties of the apparent horizon in a fractal universe. We find that one can always rewrite the Friedmann equation of the fractal universe in the form of the entropy balance relation δQ=ThdSh, where δQ and Th are the energy flux and Unruh temperature seen by an accelerated observer just inside the apparent horizon. We find that the entropy Sh consists two terms, the first one which obeys the usual area law and the second part which is the entropy production term due to nonequilibrium thermodynamics of fractal universe. This shows that in a fractal universe, a treatment with nonequilibrium thermodynamics of spacetime may be needed. We also study the generalized second law of thermodynamics in the framework of fractal universe. When the temperature of the apparent horizon and the matter fields inside the horizon are equal, i.e. T=Th, the generalized second law of thermodynamics can be fulfilled provided the deceleration and the equation of state parameters ranges either as -1⩽q<0, -1⩽w<-1/3 or as q<-1, w<-1 which are consistent with recent observations. We also find that for Th=bT, with b<1, the GSL of thermodynamics can be secured in a fractal universe by suitably choosing the fractal parameter β.

  17. Production of nattokinase by batch and fed-batch culture of Bacillus subtilis.

    PubMed

    Cho, Young-Han; Song, Jae Yong; Kim, Kyung Mi; Kim, Mi Kyoung; Lee, In Young; Kim, Sang Bum; Kim, Hyeon Shup; Han, Nam Soo; Lee, Bong Hee; Kim, Beom Soo

    2010-09-30

    Nattokinase was produced by batch and fed-batch culture of Bacillus subtilis in flask and fermentor. Effect of supplementing complex media (peptone, yeast extract, or tryptone) was investigated on the production of nattokinase. In flask culture, the highest cell growth and nattokinase activity were obtained with 50 g/L of peptone supplementation. In this condition, nattokinase activity was 630 unit/ml at 12 h. In batch culture of B. subtilis in fermentor, the highest nattokinase activity of 3400 unit/ml was obtained at 10h with 50 g/L of peptone supplementation. From the batch kinetics data, it was shown that nattokinase production was growth-associated and culture should be harvested before stationary phase for maximum nattokinase production. In fed-batch culture of B. subtilis using pH-stat feeding strategy, cell growth (optical density monitored at 600 nm) increased to ca. 100 at 22 h, which was 2.5 times higher than that in batch culture. The highest nattokinase activity was 7100 unit/ml at 19 h, which was also 2.1 times higher than that in batch culture.

  18. Equilibrium uptake, sorption dynamics, process optimization, and column operations for the removal and recovery of malachite green from wastewater using activated carbon and activated slag

    SciTech Connect

    Gupta, V.K.; Srivastava, S.K.; Mohan, D.

    1997-06-01

    The waste slurry generated in fertilizer plants and slag (blast furnace waste) have been converted into low-cost adsorbents, activated carbon and activated slag, respectively, and these are utilized for the removal of malachite green (a basic dye) from wastewater. In the batch experiments, parameters studied include the effect of pH, sorbent dosage, adsorbate concentration, temperature, and contact time. Kinetic studies have been performed to have an idea of the mechanistic aspects and to obtain the thermodynamic parameters of the process. The uptake of the dye is greater on carbonaceous material than on activated slag. Sorption data have been correlated with both Langmuir and Freundlich adsorption models. The presence of anionic surfactants does not affect the uptake of dye significantly. The mass transfer kinetic approach has been applied for the determination of various parameters necessary for the designing of fixed-bed contactors. Chemical regeneration has been achieved with acetone in order to recover the loaded dye and restore the column to its original capacity without dismantling the same.

  19. JOB BUILDER remote batch processing subsystem

    NASA Technical Reports Server (NTRS)

    Orlov, I. G.; Orlova, T. L.

    1980-01-01

    The functions of the JOB BUILDER remote batch processing subsystem are described. Instructions are given for using it as a component of a display system developed by personnel of the System Programming Laboratory, Institute of Space Research, USSR Academy of Sciences.

  20. Batch testing for noroviruses in frozen raspberries.

    PubMed

    De Keuckelaere, Ann; Li, Dan; Deliens, Bart; Stals, Ambroos; Uyttendaele, Mieke

    2015-01-02

    Berries, in particular raspberries, have been associated with multiple recalls due to norovirus contamination and were linked to a number of norovirus (NoV) outbreaks. In the present study a total of 130 samples of frozen raspberries were collected from 26 batches in four different raspberry processing companies. In two companies the samples consisted of bulk frozen raspberries serving as raw material for the production of raspberry puree (an intermediate food product in a business to business setting). In two other companies, the samples consisted of bulk individually quick frozen (IQF) raspberries serving as raw material for the production of frozen fruit mixes (as a final food product for consumer). Enumeration of Escherichia coli and coliforms was performed as well as real-time reverse transcription PCR (RT-qPCR) detection of GI and GII NoV (in 2 × 10 g). In addition, in cases where positive NoV GI or GII RT-qPCR signals were obtained, an attempt to sequence the amplicons was undertaken. Six out of 70 samples taken from the 14 batches of frozen raspberries serving raspberry puree production provided a NoV RT-qPCR signal confirmed by sequencing. Four of these six positive samples clustered in one batch whereas the other two positive samples clustered in another batch from the same company. All six positive samples showed NoV RT-qPCR signals above the limit of quantification of the RT-qPCR assay. These two positive batches of frozen raspberries can be classified as being of insufficient sanitary quality. The mean NoV level in 20 g of these raspberry samples was 4.3 log genomic copies NoV GI/20 g. The concern for public health is uncertain as NoV RT-qPCR detection is unable to discriminate between infectious and non-infectious virus particles. For the IQF raspberries, one batch out of 12 tested NoV positive, but only 1 out of the 5 samples analyzed in this batch showed a positive RT-qPCR GI NoV signal confirmed by sequencing. The RT-qPCR signal was below the

  1. Sequencing batch biofilm reactor: from support design to reactor operation.

    PubMed

    Matos, M; Alves, C; Campos, J L; Brito, A G; Nogueira, R

    2011-07-01

    The aim of this work was to improve the overall understanding of sequencing batch biofilm reactors (SBBRs) from support selection (biofilm formation) to reactor operation (carbon and nitrogen removal). Supports manufactured with different materials and geometries were tested in 2.5 L SBBRs and it was observed that biofilm accumulation was favoured on the supports that presented a higher internal surface area. The geometry of the supports and the hydrodynamic conditions established in the SBBRs seemed to play a more important role in biofilm formation than the thermodynamic interaction, expressed as free energy of adhesion (deltaG), between the support material and the biomass. The support that presented the highest biofilm accumulation per unit of surface area (DupUM) was used in a 28 L SBBR and it was observed that, along a typical SBBR cycle, time profiles of nitrogen compounds showed the typical behaviour of nitrification and denitrification reactions. During the fill phase (without aeration) acetate was simultaneously consumed in biomass growth and denitrification. Immediately after the beginning of the aeration phase (without influent addition), acetate was depleted from the liquid phase and stored as poly-beta-hydroxybutyrate that was later on used in the growth of biomass, owing to the high oxygen concentration in the reactor.

  2. Kinetic Uptake Studies of Powdered Materials in Solution

    PubMed Central

    Mohamed, Mohamed H.; Wilson, Lee D.

    2015-01-01

    Challenges exist for the study of time dependent sorption processes for heterogeneous systems, especially in the case of dispersed nanomaterials in solvents or solutions because they are not well suited to conventional batch kinetic experiments. In this study, a comparison of batch versus a one-pot setup in two variable configurations was evaluated for the study of uptake kinetics in heterogeneous (solid/solution) systems: (i) conventional batch method; (ii) one-pot system with dispersed adsorbent in solution with a semi-permeable barrier (filter paper or dialysis tubing) for in situ sampling; and (iii) one-pot system with an adsorbent confined in a semi-permeable barrier (dialysis tubing or filter paper barrier) with ex situ sampling. The sorbent systems evaluated herein include several cyclodextrin-based polyurethane materials with two types of phenolic dyes: p-nitrophenol and phenolphthalein. The one-pot kinetics method with in situ (Method ii) or ex situ (Method iii) sampling described herein offers significant advantages for the study of heterogeneous sorption kinetics of highly dispersed sorbent materials with particles sizes across a range of dimensions from the micron to nanometer scale. The method described herein will contribute positively to the development of advanced studies for heterogeneous sorption processes where an assessment of the relative uptake properties is required at different experimental conditions. The results of this study will be advantageous for the study of nanomaterials with significant benefits over batch kinetic studies for a wide range of heterogeneous sorption processes. PMID:28347046

  3. Thermodynamics and the hydrodenitrogenation of indole: Part 1, Thermodynamic properties of indoline and 2-methylindole: Part 2, Gibbs energies of reaction in the hydrodenitrogenation of indole: Part 3, Thermodynamic equilibria and comparison with literature kinetic

    SciTech Connect

    Steele, W. V.; Chirico, R. D.

    1989-06-01

    Ideal-gas thermodynamic properties for indoline and 2-methylindole based on accurate calorimetric measurements (between 300 to 500 K and 300 to 700 K, respectively) were determined; well into the range of typical chemical process temperatures. The calorimetrically derived values provide a firm basis for the prediction of thermodynamic properties for a large family of structures including many substituted indoles and indolines. Critical-temperature/density measurements obtained using a differential scanning calorimeter (DSC) are reported for 2-methylindole. A critical pressure and acentric factor are derived for 2-methylindole. Group-additivity estimation methods are employed to estimate the Gibbs energies of formation for the reactants, intermediates, and products in a reaction scheme for the hydrodenitrogenation (HDN) of indole. Thermodynamic equilibria calculations on the indole/indoline/hydrogen system are compared with experimental batch-reaction measurements reported in the literature. The interplay between thermodynamics and kinetics in the HDN of indole is discussed. 41 refs., 11 figs., 23 tabs.

  4. Evolution in thermodynamics

    NASA Astrophysics Data System (ADS)

    Bejan, Adrian

    2017-03-01

    This review covers two aspects of "evolution" in thermodynamics. First, with the constructal law, thermodynamics is becoming the domain of physics that accounts for the phenomenon of evolution in nature, in general. Second, thermodynamics (and science generally) is the evolving add-on that empowers humans to predict the future and move more easily on earth, farther and longer in time. The part of nature that thermodynamics represents is this: nothing moves by itself unless it is driven by power, which is then destroyed (dissipated) during movement. Nothing evolves unless it flows and has the freedom to change its architecture such that it provides greater and easier access to the available space. Thermodynamics is the modern science of heat and work and their usefulness, which comes from converting the work (power) into movement (life) in flow architectures that evolve over time to facilitate movement. I also review the rich history of the science, and I clarify misconceptions regarding the second law, entropy, disorder, and the arrow of time, and the supposed analogy between heat and work.

  5. Thermodynamics and evolution.

    PubMed

    Demetrius, L

    2000-09-07

    The science of thermodynamics is concerned with understanding the properties of inanimate matter in so far as they are determined by changes in temperature. The Second Law asserts that in irreversible processes there is a uni-directional increase in thermodynamic entropy, a measure of the degree of uncertainty in the thermal energy state of a randomly chosen particle in the aggregate. The science of evolution is concerned with understanding the properties of populations of living matter in so far as they are regulated by changes in generation time. Directionality theory, a mathematical model of the evolutionary process, establishes that in populations subject to bounded growth constraints, there is a uni-directional increase in evolutionary entropy, a measure of the degree of uncertainty in the age of the immediate ancestor of a randomly chosen newborn. This article reviews the mathematical basis of directionality theory and analyses the relation between directionality theory and statistical thermodynamics. We exploit an analytic relation between temperature, and generation time, to show that the directionality principle for evolutionary entropy is a non-equilibrium extension of the principle of a uni-directional increase of thermodynamic entropy. The analytic relation between these directionality principles is consistent with the hypothesis of the equivalence of fundamental laws as one moves up the hierarchy, from a molecular ensemble where the thermodynamic laws apply, to a population of replicating entities (molecules, cells, higher organisms), where evolutionary principles prevail.

  6. Kinetic and thermodynamic studies of the Co(II) and Ni(II) ions removal from aqueous solutions by Ca-Mg phosphates.

    PubMed

    Ivanets, A I; Srivastava, V; Kitikova, N V; Shashkova, I L; Sillanpää, M

    2017-03-01

    The aim of this work was to study the sorption kinetics and thermodynamics of Co(II) and Ni(II) from aqueous solutions by sorbents on the basis of hydrogen (PD-1) and tertiary (PD-2) Ca-Mg phosphates depending on the solution temperature and sorbents chemical composition. Kinetic studies of adsorption of Co(II) and Ni(II) ions onto samples of phosphate sorbents were performed in batch experiment at the temperatures 288, 303, 318 and 333 K. The sorbent dose was fixed at 10 g L(-1), initial pH value 2.6, and contact time varied from 5 to 600 min. The kinetics of Co(II) and Ni(II) adsorption were analyzed by using pseudo-first order, pseudo-second order and intraparticle diffusion models. Thermodynamic parameters (ΔG°, ΔH° and ΔS°) for the sorption of Co(II) and Ni(II) were determined using the Gibbs-Helmholtz equation. The calculated kinetic parameters and corresponding correlation coefficients revealed that Co(II) and Ni(II) uptake process followed the pseudo-second order rate expression. Thermodynamic studies confirmed the spontaneous and endothermic nature of removal process which indicate that sorption of Co(II) and Ni(II) ions onto both phosphate sorbents is favoured at higher temperatures and has the chemisorptive mechanism. The data thus obtained would be useful for practical application of the low cost and highly effective Ca-Mg phosphate sorbents. Copyright © 2016 Elsevier Ltd. All rights reserved.

  7. Thermodynamic evaluation on H2 production in glucose fermentation.

    PubMed

    Lee, Hyung-Sool; Salerno, Michael B; Rittmann, Bruce E

    2008-04-01

    The normal maximum H2 yield in mesophilic biohydrogen (bioH2) fermentation is approximately 2 mol of H2/(mol of glucose). Thermodynamics could be the most fundamental control for bioH2 formation, since proton reduction is strongly energy consuming (+79.4 kJ/(mol of H2)). However, most of the electron equivalents in glucose do not accumulate in H2 but in a range of organic acids and alcohols. Thus, evaluating the hypothesis of thermodynamic control requiresthe full stoichiometry of the fermentation. We carried out batch bioH2 reactions with a range of pH values that yielded H2 yields from 0 to approximately 2 mol of H2/(mol of glucose). We constructed complete electron equivalent(e(-) equiv) balances for high or low H2 yield by measuring all e(-) sinks. The highest H2 yield occurred with pH approximately 4 and was coincident with major butyrate accumulation; ethanol or lactate correlated to reduced H2 yields at pH 7 and 10, respectively. Although the Gibb's free energies for all overall reactions were similar (-10.6 to -11.2 kJ/(e(-) equiv)), thermodynamics controlled the H2-producing reaction coupled to ferredoxin; this reaction was favorable at acidic pH but thermodynamically blocked at pH 10. Also, butyrate formation was the most thermodynamically favorable reaction that produced ATP after glycolysis.

  8. Production of fructosyltransferase by Aureobasidium sp. ATCC 20524 in batch and two-step batch cultures.

    PubMed

    Salinas, Martín A; Perotti, Nora I

    2009-01-01

    A comparison of fructosyltransferase (EC 2.4.1.9) production by Aureobasidium sp. ATCC 20524 in batch and two step batch cultures was investigated in a 1-l stirred tank reactor using a sucrose supply of 200 g/l. Results showed that the innovative cultivation in two step of Aureobasidium sp. produced more fructosyltransferase (FFase) than the single batch culture at the same sucrose concentration with a maximal enzyme production of 523 U/ml, which was 80.5% higher than the one obtained in the batch culture. The production of fructooligosaccharides (FOSs) was also analyzed; their concentration reached a maximum value of 160 g/l the first day in the two-step culture and 127 g/l in the single-batch mode. The use of the two-step batch culture with Aureobasidium sp. ATCC 20524 in allowing the microorganism to grow up prior to the induction of sucrose (second step), proved to be a powerful method for producing fructosyltransferase and FOSs.

  9. Batch and fed-batch fermentation of Bacillus thuringiensis using starch industry wastewater as fermentation substrate.

    PubMed

    Vu, Khanh Dang; Tyagi, Rajeshwar Dayal; Valéro, José R; Surampalli, Rao Y

    2010-08-01

    Bacillus thuringiensis var. kurstaki biopesticide was produced in batch and fed-batch fermentation modes using starch industry wastewater as sole substrate. Fed-batch fermentation with two intermittent feeds (at 10 and 20 h) during the fermentation of 72 h gave the maximum delta-endotoxin concentration (1,672.6 mg/L) and entomotoxicity (Tx) (18.5 x 10(6) SBU/mL) in fermented broth which were significantly higher than maximum delta-endotoxin concentration (511.0 mg/L) and Tx (15.8 x 10(6) SBU/mL) obtained in batch process. However, fed-batch fermentation with three intermittent feeds (at 10, 20 and 34 h) of the fermentation resulted in the formation of asporogenous variant (Spo-) from 36 h to the end of fermentation (72 h) which resulted in a significant decrease in spore and delta-endotoxin concentration and finally the Tx value. Tx of suspended pellets (27.4 x 10(6) SBU/mL) obtained in fed-batch fermentation with two feeds was the highest value as compared to other cases.

  10. Multi-objective optimization of glycopeptide antibiotic production in batch and fed batch processes.

    PubMed

    Maiti, Soumen K; Lantz, Anna Eliasson; Bhushan, Mani; Wangikar, Pramod P

    2011-07-01

    Fermentation optimization involves potentially conflicting multiple objectives such as product concentration and production media cost. Simultaneous optimization of these objectives would result in a multiobjective optimization problem, which is characterized by a set of multiple solutions, knows as pareto optimal solutions. These solutions gives flexibility in evaluating the trade-offs and selecting the most suitable operating policy. Here, ε-constraint approach was used to generate the pareto solutions for two objectives: product concentration and product per unit cost of media, for batch and fed batch operations using process model for Amycolatopsis balhimycina, a glycopeptide antibiotic producer. This resulted in a set of several pareto optimal solutions with the two objectives ranging from (0.75 g l(-1), 3.97 g $(-1)) to (0.44 g l(-1), 5.19 g $(-1)) for batch and from (1.5 g l(-1), 5.46 g $(-1)) to (1.1 g l(-1), 6.34 g $(-1)) for fed batch operations. One pareto solution each for batch and for fed batch mode was experimentally validated. Copyright © 2011 Elsevier Ltd. All rights reserved.

  11. Adsorption of Zn2+ ions onto NaA and NaX zeolites: kinetic, equilibrium and thermodynamic studies.

    PubMed

    Nibou, D; Mekatel, H; Amokrane, S; Barkat, M; Trari, M

    2010-01-15

    The adsorption of Zn(2+) onto NaA and NaX zeolites was investigated. The samples were synthesized according to a hydrothermal crystallization using aluminium isopropoxide (Al[OCH(CH(3))(2)](3)) as a new alumina source. The effects of pH, initial concentration, solid/liquid ratio and temperature were studied in batch experiments. The Freundlich and the Langmuir models were applied and the adsorption equilibrium followed Langmuir adsorption isotherm. The uptake distribution coefficient (K(d)) indicated that the Zn(2+) removal was the highest at minimum concentration. Thermodynamic parameters were calculated. The negative values of standard enthalpy of adsorption revealed the exothermic nature of the adsorption process whereas the negative activation entropies reflected that no significant change occurs in the internal structure of the zeolites solid matrix during the sorption of Zn(2+). The negative values of Gibbs free energy were indicative of the spontaneity of the adsorption process. Analysis of the kinetic and rate data revealed that the pseudo second-order sorption mechanism is predominant and the intra particle diffusion was the determining step for the sorption of zinc ions. The obtained optimal parameters have been applied to wastewater from the industrial zone (Algeria) in order to remove the contained zinc effluents.

  12. Isotherm and thermodynamic studies of Zn (II) adsorption on lignite and coconut shell-based activated carbon fiber.

    PubMed

    Shrestha, Sohan; Son, Guntae; Lee, Seung Hwan; Lee, Tae Gwan

    2013-08-01

    The Zn (II) adsorption capacity of lignite and coconut shell-based activated carbon fiber (ACF) was evaluated as a function of initial Zn (II) concentration, temperature and contact time in batch adsorption process in this study. Adsorption uptake increased with initial Zn (II) concentration and temperature. Optimal contact time for the adsorption of Zn (II) ions onto lignite and coconut shell-based ACF was found to be 50 min. Removal percentage decreased from 88.0% to 78.54% with the increment in initial Zn (II) concentration from 5 to 50 mg L(-1). Equilibrium data fit well with Langmuir-I isotherm indicating homogeneous monolayer coverage of Zn (II) ions on the adsorbent surface. Maximum monolayer adsorption capacity of Zn (II) ions on ACF was found to be 9.43 mg g(-1). Surface morphology and functionality of ACF prior to and after adsorption were characterized by electron microscopy and infrared spectroscopy. Various thermodynamic parameters such as standard Gibbs free energy (ΔG°), standard enthalpy (ΔH°), and standard entropy (ΔS°) were evaluated.

  13. Thermodynamics of Biological Processes

    PubMed Central

    Garcia, Hernan G.; Kondev, Jane; Orme, Nigel; Theriot, Julie A.; Phillips, Rob

    2012-01-01

    There is a long and rich tradition of using ideas from both equilibrium thermodynamics and its microscopic partner theory of equilibrium statistical mechanics. In this chapter, we provide some background on the origins of the seemingly unreasonable effectiveness of ideas from both thermodynamics and statistical mechanics in biology. After making a description of these foundational issues, we turn to a series of case studies primarily focused on binding that are intended to illustrate the broad biological reach of equilibrium thinking in biology. These case studies include ligand-gated ion channels, thermodynamic models of transcription, and recent applications to the problem of bacterial chemotaxis. As part of the description of these case studies, we explore a number of different uses of the famed Monod–Wyman–Changeux (MWC) model as a generic tool for providing a mathematical characterization of two-state systems. These case studies should provide a template for tailoring equilibrium ideas to other problems of biological interest. PMID:21333788

  14. Thermodynamics of Nonadditive Systems.

    PubMed

    Latella, Ivan; Pérez-Madrid, Agustín; Campa, Alessandro; Casetti, Lapo; Ruffo, Stefano

    2015-06-12

    The usual formulation of thermodynamics is based on the additivity of macroscopic systems. However, there are numerous examples of macroscopic systems that are not additive, due to the long-range character of the interaction among the constituents. We present here an approach in which nonadditive systems can be described within a purely thermodynamics formalism. The basic concept is to consider a large ensemble of replicas of the system where the standard formulation of thermodynamics can be naturally applied and the properties of a single system can be consequently inferred. After presenting the approach, we show its implementation in systems where the interaction decays as 1/r(α) in the interparticle distance r, with α smaller than the embedding dimension d, and in the Thirring model for gravitational systems.

  15. Thermodynamics "beyond" local equilibrium

    NASA Astrophysics Data System (ADS)

    Vilar, Jose; Rubi, Miguel

    2002-03-01

    Nonequilibrium thermodynamics has shown its applicability in a wide variety of different situations pertaining to fields such as physics, chemistry, biology, and engineering. As successful as it is, however, its current formulation considers only systems close to equilibrium, those satisfying the so-called local equilibrium hypothesis. Here we show that diffusion processes that occur far away from equilibrium can be viewed as at local equilibrium in a space that includes all the relevant variables in addition to the spatial coordinate. In this way, nonequilibrium thermodynamics can be used and the difficulties and ambiguities associated with the lack of a thermodynamic description disappear. We analyze explicitly the inertial effects in diffusion and outline how the main ideas can be applied to other situations. [J.M.G. Vilar and J.M. Rubi, Proc. Natl. Acad. Sci. USA 98, 11081-11084 (2001)].

  16. Thermodynamics of graphene

    NASA Astrophysics Data System (ADS)

    Rusanov, A. I.

    2014-12-01

    The 21st century has brought a lot of new results related to graphene. Apparently, graphene has been characterized from all points of view except surface science and, especially, surface thermodynamics. This report aims to close this gap. Since graphene is the first real two-dimensional solid, a general formulation of the thermodynamics of two-dimensional solid bodies is given. The two-dimensional chemical potential tensor coupled with stress tensor is introduced, and fundamental equations are derived for energy, free energy, grand thermodynamic potential (in the classical and hybrid forms), enthalpy, and Gibbs energy. The fundamentals of linear boundary phenomena are formulated with explaining the concept of a dividing line, the mechanical and thermodynamic line tensions, line energy and other linear properties with necessary thermodynamic equations. The one-dimensional analogs of the Gibbs adsorption equation and Shuttleworth-Herring relation are presented. The general thermodynamic relationships are illustrated with calculations based on molecular theory. To make the reader sensible of the harmony of chemical and van der Waals forces in graphene, the remake of the classical graphite theory is presented with additional variable combinations of graphene sheets. The calculation of the line energy of graphene is exhibited including contributions both from chemical bonds and van der Waals forces (expectedly, the latter are considerably smaller than the former). The problem of graphene holes originating from migrating vacancies is discussed on the basis of the Gibbs-Curie principle. An important aspect of line tension is the planar sheet/nanotube transition where line tension acts as a driving force. Using the bending stiffness of graphene, the possible radius range is estimated for achiral (zigzag and armchair) nanotubes.

  17. 3. INSIDE BATCH FURNACE BUILDING, VIEW LOOKING NORTH AT REGENERATIVE ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    3. INSIDE BATCH FURNACE BUILDING, VIEW LOOKING NORTH AT REGENERATIVE BATCH FURNACES ON LEFT AND 5 TON CAPACITY CHARGING MACHINE ON RIGHT. - U.S. Steel Duquesne Works, 22-Inch Bar Mill, Along Monongahela River, Duquesne, Allegheny County, PA

  18. Using Forensics to Untangle Batch Effects in TCGA Data - TCGA

    Cancer.gov

    Rehan Akbani, Ph.D., and colleagues at the University of Texas MD Anderson Cancer Center developed a tool called MBatch to detect, diagnose, and correct batch effects in TCGA data. Read more about batch effects in this Case Study.

  19. VIEW OF BATCH STORAGE SILOS LOOKING NORTHEAST FROM DREY STREET, ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    VIEW OF BATCH STORAGE SILOS LOOKING NORTHEAST FROM DREY STREET, SHOWING RUINS OF BOILER HOUSE WITH SALVAGED MACHINERY IN FOREGROUND - Chambers Window Glass Company, Batch Plant, North of Drey (Nineteenth) Street, West of Constitution Boulevard, Arnold, Westmoreland County, PA

  20. DETAIL VIEW OF BATCH BIN AFTER PLANT DEMOLITION, LOOKING EAST ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    DETAIL VIEW OF BATCH BIN AFTER PLANT DEMOLITION, LOOKING EAST TOWARD ARNOLD - Chambers Window Glass Company, Batch Plant, North of Drey (Nineteenth) Street, West of Constitution Boulevard, Arnold, Westmoreland County, PA

  1. GENERAL VIEW OF BATCH PLANT, CONVEYOR AND GLASS FURNACE STACK ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    GENERAL VIEW OF BATCH PLANT, CONVEYOR AND GLASS FURNACE STACK LOOKING NORTHEAST FROM DREY STREET - Chambers Window Glass Company, Batch Plant, North of Drey (Nineteenth) Street, West of Constitution Boulevard, Arnold, Westmoreland County, PA

  2. 7. NORTHWEST VIEW OF FLUX CONVEYORS FEEDING BATCH HOPPERS ON ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    7. NORTHWEST VIEW OF FLUX CONVEYORS FEEDING BATCH HOPPERS ON THE BATCHING FLOOR OF THE FURNACE AISLE IN THE BOP SHOP. - U.S. Steel Duquesne Works, Basic Oxygen Steelmaking Plant, Along Monongahela River, Duquesne, Allegheny County, PA

  3. Thermodynamics and evolutionary genetics

    NASA Astrophysics Data System (ADS)

    Müller, Ingo

    2010-03-01

    Thermodynamics and evolutionary genetics have something in common. Thus, the randomness of mutation of cells may be likened to the random thermal fluctuations in a gas. And the probabilistic nature of entropy in statistical thermodynamics can be carried over to a population of haploid and diploid cells without any conceptual change. The energetic potential wells in which the atoms of a liquid are caught correspond to selective advantages for some phenotype over others. Thus, the eventual stable state in a population comes about as a compromise in the universal competition between entropy and energy.

  4. Viscoplasticity: A thermodynamic formulation

    NASA Technical Reports Server (NTRS)

    Freed, A. D.; Chaboche, J. L.

    1989-01-01

    A thermodynamic foundation using the concept of internal state variables is given for a general theory of viscoplasticity, as it applies to initially isotropic materials. Three fundamental internal state variables are admitted. They are: a tensor valued back stress for kinematic effects, and the scalar valued drag and yield strengths for isotropic effects. All three are considered to phenomenologically evolve according to competitive processes between strain hardening, strain induced dynamic recovery, and time induced static recovery. Within this phenomenological framework, a thermodynamically admissible set of evolution equations is put forth. This theory allows each of the three fundamental internal variables to be composed as a sum of independently evolving constituents.

  5. Components in Chemical Thermodynamics

    NASA Astrophysics Data System (ADS)

    Alberty, Robert A.

    1995-09-01

    Chemical equations are actually matrix equations, and this has important implications for their thermodynamic treatment. The fundamental equation for chemical thermodynamics for a chemical reaction system can be written in terms of species, but at chemical equilibrium, it has to be written in terms of components. The number of components is equal to the number of species minus the number of independent chemical reactions. The fundamental equation for the Gibbs energy of a system containing ethylene, methane, ethane, and propane is discussed. At chemical equilibrium there are two components, which can be taken to be carbon and hydrogen or ethylene and methane. There are advantages in using matrix notation.

  6. Mechanics, Waves and Thermodynamics

    NASA Astrophysics Data System (ADS)

    Ranjan Jain, Sudhir

    2016-05-01

    Figures; Preface; Acknowledgement; 1. Energy, mass, momentum; 2. Kinematics, Newton's laws of motion; 3. Circular motion; 4. The principle of least action; 5. Work and energy; 6. Mechanics of a system of particles; 7. Friction; 8. Impulse and collisions; 9. Central forces; 10. Dimensional analysis; 11. Oscillations; 12. Waves; 13. Sound of music; 14. Fluid mechanics; 15. Water waves; 16. The kinetic theory of gases; 17. Concepts and laws of thermodynamics; 18. Some applications of thermodynamics; 19. Basic ideas of statistical mechanics; Bibliography; Index.

  7. Inflight thermodynamic properties

    NASA Technical Reports Server (NTRS)

    Brown, S. C.; Daniels, G. E.; Johnson, D. L.; Smith, O. E.

    1973-01-01

    The inflight thermodynamic parameters (temperature, pressure, and density) of the atmosphere are presented. Mean and extreme values of the thermodynamic parameters given here can be used in application of many aerospace problems, such as: (1) research and planning and engineering design of remote earth sensing systems; (2) vehicle design and development; and (3) vehicle trajectory analysis, dealing with vehicle thrust, dynamic pressure, aerodynamic drag, aerodynamic heating, vibration, structural and guidance limitations, and reentry analysis. Atmospheric density plays a very important role in most of the above problems. A subsection on reentry is presented, giving atmospheric models to be used for reentry heating, trajectory, etc., analysis.

  8. Thermodynamics of ABC transporters.

    PubMed

    Zhang, Xuejun C; Han, Lei; Zhao, Yan

    2016-01-01

    ABC transporters form the largest of all transporter families, and their structural study has made tremendous progress over recent years. However, despite such advances, the precise mechanisms that determine the energy-coupling between ATP hydrolysis and the conformational changes following substrate binding remain to be elucidated. Here, we present our thermodynamic analysis for both ABC importers and exporters, and introduce the two new concepts of differential-binding energy and elastic conformational energy into the discussion. We hope that the structural analysis of ABC transporters will henceforth take thermodynamic aspects of transport mechanisms into account as well.

  9. Thermodynamics of lattice OCD

    SciTech Connect

    Matsuoka, H.

    1985-01-01

    The thermodynamic consequences of QCD are explored in the framework of lattice gauge theory. Attention is focused upon the nature of the chiral symmetry restoration transition at finite temperature and at finite baryon density, and possible strategies for identifying relevant thermodynamic phases are discussed. Some numerical results are presented on the chiral symmetry restoration in the SU(2) gauge theory at high baryon density. The results suggest that with T approx. = 110 MeV there is a second order restoration transition at the critical baryon density n/sub B//sup c/ approx. = 0.62 fm/sup -3/.

  10. Beyond Equilibrium Thermodynamics

    NASA Astrophysics Data System (ADS)

    Öttinger, Hans Christian

    2005-01-01

    Beyond Equilibrium Thermodynamics fills a niche in the market by providing a comprehensive introduction to a new, emerging topic in the field. The importance of non-equilibrium thermodynamics is addressed in order to fully understand how a system works, whether it is in a biological system like the brain or a system that develops plastic. In order to fully grasp the subject, the book clearly explains the physical concepts and mathematics involved, as well as presenting problems and solutions; over 200 exercises and answers are included. Engineers, scientists, and applied mathematicians can all use the book to address their problems in modelling, calculating, and understanding dynamic responses of materials.

  11. Job Scheduling Under the Portable Batch System

    NASA Technical Reports Server (NTRS)

    Henderson, Robert L.; Woodrow, Thomas S. (Technical Monitor)

    1995-01-01

    The typical batch queuing system schedules jobs for execution by a set of queue controls. The controls determine from which queues jobs may be selected. Within the queue, jobs are ordered first-in, first-run. This limits the set of scheduling policies available to a site. The Portable Batch System removes this limitation by providing an external scheduling module. This separate program has full knowledge of the available queued jobs, running jobs, and system resource usage. Sites are able to implement any policy expressible in one of several procedural language. Policies may range from "bet fit" to "fair share" to purely political. Scheduling decisions can be made over the full set of jobs regardless of queue or order. The scheduling policy can be changed to fit a wide variety of computing environments and scheduling goals. This is demonstrated by the use of PBS on an IBM SP-2 system at NASA Ames.

  12. Job Scheduling Under the Portable Batch System

    NASA Technical Reports Server (NTRS)

    Henderson, Robert L.; Woodrow, Thomas S. (Technical Monitor)

    1995-01-01

    The typical batch queuing system schedules jobs for execution by a set of queue controls. The controls determine from which queues jobs may be selected. Within the queue, jobs are ordered first-in, first-run. This limits the set of scheduling policies available to a site. The Portable Batch System removes this limitation by providing an external scheduling module. This separate program has full knowledge of the available queued jobs, running jobs, and system resource usage. Sites are able to implement any policy expressible in one of several procedural language. Policies may range from "bet fit" to "fair share" to purely political. Scheduling decisions can be made over the full set of jobs regardless of queue or order. The scheduling policy can be changed to fit a wide variety of computing environments and scheduling goals. This is demonstrated by the use of PBS on an IBM SP-2 system at NASA Ames.

  13. Uptake mechanism for iodine species to black carbon.

    PubMed

    Choung, Sungwook; Um, Wooyong; Kim, Minkyung; Kim, Min-Gyu

    2013-09-17

    Natural organic matter (NOM) plays an important role in determining the fate and transport of iodine species such as iodide (I(-)) and iodate (IO3(-)) in groundwater system. Although NOM exists as diverse forms in environments, prior iodine studies have mainly focused on uptake processes of iodide and iodate to humic materials. This study was conducted to determine the iodide and iodate uptake potential for a particulate NOM (i.e., black carbon [BC]). A laboratory-produced BC and commercial humic acid were used for batch experiments to compare their iodine uptake properties. The BC exhibited >100 times greater uptake capability for iodide than iodate at low pH of ~3, while iodide uptake was negligible for the humic acid. The uptake properties of both solids strongly depend on the initial iodine aqueous concentrations. After uptake reaction of iodide to the BC, X-ray absorption fine structure spectroscopy results indicated that the iodide was converted to electrophilic species, and iodine was covalently bound to carbon atom in polycyclic aromatic hydrocarbons present in the BC. The computed distribution coefficients (i.e., Kd values) suggest that the BC materials retard significantly the transport of iodide at low pH in environmental systems containing even a small amount of BC.

  14. Uptake Mechanism for Iodine Species to Black Carbon

    SciTech Connect

    Choung, Sungwook; Um, Wooyong; Kim, Min Kyung; Kim, Min-Gyu

    2013-08-13

    Natural organic matter (NOM) plays an important role in determining the fate and transport of iodine species such as iodide (I-) and iodate (IO3-) in groundwater system. Although NOM exists as diverse forms in environments, prior iodine studies have mainly focused on uptake processes of iodide and iodate to humic materials. This study was conducted to determine the iodide and iodate uptake potential for a particulate NOM (i.e., black carbon [BC]). A laboratory-produced BC and commercial humic acid were used for batch experiments to compare their iodine uptake properties. The BC exhibited >100 times greater uptake capability for iodide than iodate at low pH~3, while iodide uptake was negligible for the humic acid. The uptake properties of both solids strongly depend on the initial iodine aqueous concentrations. After uptake reaction of iodide to the BC, X-ray Absorption Fine Structure spectroscopy results indicated that the iodide was converted to electrophilic species, and iodine was covalently bound to carbon atom in polycyclic aromatic hydrocarbons present in the BC. The computed distribution coefficients (i.e., Kd values) suggest that the BC materials retard significantly the transport of iodide at low pH in environmental systems containing even a small amount of BC.

  15. Capacitated max -Batching with Interval Graph Compatibilities

    NASA Astrophysics Data System (ADS)

    Nonner, Tim

    We consider the problem of partitioning interval graphs into cliques of bounded size. Each interval has a weight, and the weight of a clique is the maximum weight of any interval in the clique. This natural graph problem can be interpreted as a batch scheduling problem. Solving a long-standing open problem, we show NP-hardness, even if the bound on the clique sizes is constant. Moreover, we give a PTAS based on a novel dynamic programming technique for this case.

  16. Pollution prevention applications in batch manufacturing operations

    NASA Astrophysics Data System (ADS)

    Sykes, Derek W.; O'Shaughnessy, James

    2004-02-01

    Older, "low-tech" batch manufacturing operations are often fertile grounds for gains resulting from pollution prevention techniques. This paper presents a pollution prevention technique utilized for wastewater discharge permit compliance purposes at a batch manufacturer of detergents, deodorants, and floor-care products. This manufacturer generated industrial wastewater as a result of equipment rinses required after each product batch changeover. After investing a significant amount of capital on end of pip-line wastewater treatment technology designed to address existing discharge limits, this manufacturer chose to investigate alternate, low-cost approaches to address anticipated new permit limits. Mass balances using spreadsheets and readily available formulation and production data were conducted on over 300 products to determine how each individual product contributed to the total wastewater pollutant load. These mass balances indicated that 22 products accounted for over 55% of the wastewater pollutant. Laboratory tests were conducted to determine whether these same products could accept their individual changeover rinse water as make-up water in formulations without sacrificing product quality. This changeover reuse technique was then implement at the plant scale for selected products. Significant reductions in wastewater volume (25%) and wastewater pollutant loading (85+%) were realized as a direct result of this approach.

  17. Use of sequential-batch fermentations to characterize the impact of mild hypothermic temperatures on the anaerobic stoichiometry and kinetics of Saccharomyces cerevisiae.

    PubMed

    Cruz, A L B; Verbon, A J; Geurink, L J; Verheijen, P J T; Heijnen, J J; van Gulik, W M

    2012-07-01

    This work presents a characterization of the stoichiometry and kinetics of anaerobic batch growth of Saccharomyces cerevisiae at cultivation temperatures between 12 and 30°C. To minimize the influence of the inoculum condition and ensure full adaptation to the cultivation temperature, the experiments were carried out in sequencing batch reactors. It was observed that the growth rate obtained in the first batch performed after each temperature shift was 10-30% different compared with the subsequent batches at the same temperature, which were much more reproducible. This indicates that the sequencing batch approach provides accurate and reproducible growth rate data. Data reconciliation was applied to the measured time patterns of substrate, biomass, carbon dioxide and byproducts with the constraint that the elemental conservation relations were satisfied, allowing to obtain consistent best estimates of all uptake and secretion rates. Subsequently, it was attempted to obtain an appropriate model description of the temperature dependency of these rates. It was found that the Ratkowsky model provided a better description of the temperature dependency of growth, uptake and secretion rates than the Arrhenius law. Most interesting was to find that most of the biomass-specific rates have the same temperature dependency, leading to a near temperature independent batch stoichiometry.

  18. Batch-batch stable microbial community in the traditional fermentation process of huyumei broad bean pastes.

    PubMed

    Zhu, Linjiang; Fan, Zihao; Kuai, Hui; Li, Qi

    2017-09-01

    During natural fermentation processes, a characteristic microbial community structure (MCS) is naturally formed, and it is interesting to know about its batch-batch stability. This issue was explored in a traditional semi-solid-state fermentation process of huyumei, a Chinese broad bean paste product. The results showed that this MCS mainly contained four aerobic Bacillus species (8 log CFU per g), including B. subtilis, B. amyloliquefaciens, B. methylotrophicus, and B. tequilensis, and the facultative anaerobe B. cereus with a low concentration (4 log CFU per g), besides a very small amount of the yeast Zygosaccharomyces rouxii (2 log CFU per g). The dynamic change of the MCS in the brine fermentation process showed that the abundance of dominant species varied within a small range, and in the beginning of process the growth of lactic acid bacteria was inhibited and Staphylococcus spp. lost its viability. Also, the MCS and its dynamic change were proved to be highly reproducible among seven batches of fermentation. Therefore, the MCS naturally and stably forms between different batches of the traditional semi-solid-state fermentation of huyumei. Revealing microbial community structure and its batch-batch stability is helpful for understanding the mechanisms of community formation and flavour production in a traditional fermentation. This issue in a traditional semi-solid-state fermentation of huyumei broad bean paste was firstly explored. This fermentation process was revealed to be dominated by a high concentration of four aerobic species of Bacillus, a low concentration of B. cereus and a small amount of Zygosaccharomyces rouxii. Lactic acid bacteria and Staphylococcus spp. lost its viability at the beginning of fermentation. Such the community structure was proved to be highly reproducible among seven batches. © 2017 The Society for Applied Microbiology.

  19. A Semi-Batch Reactor Experiment for the Undergraduate Laboratory

    ERIC Educational Resources Information Center

    Derevjanik, Mario; Badri, Solmaz; Barat, Robert

    2011-01-01

    This experiment and analysis offer an economic yet challenging semi-batch reactor experience. Household bleach is pumped at a controlled rate into a batch reactor containing pharmaceutical hydrogen peroxide solution. Batch temperature, product molecular oxygen, and the overall change in solution conductivity are metered. The reactor simulation…

  20. 40 CFR 63.1406 - Reactor batch process vent provisions.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 11 2011-07-01 2011-07-01 false Reactor batch process vent provisions... § 63.1406 Reactor batch process vent provisions. (a) Emission standards. Owners or operators of reactor... reactor batch process vent located at a new affected source shall control organic HAP emissions...

  1. 40 CFR 63.1406 - Reactor batch process vent provisions.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 11 2010-07-01 2010-07-01 true Reactor batch process vent provisions... § 63.1406 Reactor batch process vent provisions. (a) Emission standards. Owners or operators of reactor... reactor batch process vent located at a new affected source shall control organic HAP emissions...

  2. 7 CFR 58.728 - Cooking the batch.

    Code of Federal Regulations, 2014 CFR

    2014-01-01

    ... 7 Agriculture 3 2014-01-01 2014-01-01 false Cooking the batch. 58.728 Section 58.728 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Procedures § 58.728 Cooking the batch. Each batch of cheese within the cooker, including the optional...

  3. 7 CFR 58.728 - Cooking the batch.

    Code of Federal Regulations, 2012 CFR

    2012-01-01

    ... 7 Agriculture 3 2012-01-01 2012-01-01 false Cooking the batch. 58.728 Section 58.728 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Procedures § 58.728 Cooking the batch. Each batch of cheese within the cooker, including the optional...

  4. 7 CFR 58.728 - Cooking the batch.

    Code of Federal Regulations, 2010 CFR

    2010-01-01

    ... 7 Agriculture 3 2010-01-01 2010-01-01 false Cooking the batch. 58.728 Section 58.728 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Procedures § 58.728 Cooking the batch. Each batch of cheese within the cooker, including the optional...

  5. 7 CFR 58.728 - Cooking the batch.

    Code of Federal Regulations, 2011 CFR

    2011-01-01

    ... 7 Agriculture 3 2011-01-01 2011-01-01 false Cooking the batch. 58.728 Section 58.728 Agriculture Regulations of the Department of Agriculture (Continued) AGRICULTURAL MARKETING SERVICE (Standards... Procedures § 58.728 Cooking the batch. Each batch of cheese within the cooker, including the optional...

  6. 40 CFR 63.1408 - Aggregate batch vent stream provisions.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 11 2010-07-01 2010-07-01 true Aggregate batch vent stream provisions... § 63.1408 Aggregate batch vent stream provisions. (a) Emission standards. Owners or operators of aggregate batch vent streams at a new or existing affected source shall comply with either paragraph...

  7. 40 CFR 63.1408 - Aggregate batch vent stream provisions.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 11 2011-07-01 2011-07-01 false Aggregate batch vent stream provisions... § 63.1408 Aggregate batch vent stream provisions. (a) Emission standards. Owners or operators of aggregate batch vent streams at a new or existing affected source shall comply with either paragraph...

  8. A Semi-Batch Reactor Experiment for the Undergraduate Laboratory

    ERIC Educational Resources Information Center

    Derevjanik, Mario; Badri, Solmaz; Barat, Robert

    2011-01-01

    This experiment and analysis offer an economic yet challenging semi-batch reactor experience. Household bleach is pumped at a controlled rate into a batch reactor containing pharmaceutical hydrogen peroxide solution. Batch temperature, product molecular oxygen, and the overall change in solution conductivity are metered. The reactor simulation…

  9. 40 CFR 63.462 - Batch cold cleaning machine standards.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 9 2011-07-01 2011-07-01 false Batch cold cleaning machine standards... National Emission Standards for Halogenated Solvent Cleaning § 63.462 Batch cold cleaning machine standards. (a) Each owner or operator of an immersion batch cold solvent cleaning machine shall comply with...

  10. 40 CFR 63.462 - Batch cold cleaning machine standards.

    Code of Federal Regulations, 2012 CFR

    2012-07-01

    ... 40 Protection of Environment 10 2012-07-01 2012-07-01 false Batch cold cleaning machine standards... National Emission Standards for Halogenated Solvent Cleaning § 63.462 Batch cold cleaning machine standards. (a) Each owner or operator of an immersion batch cold solvent cleaning machine shall comply with...

  11. 40 CFR 63.462 - Batch cold cleaning machine standards.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... 40 Protection of Environment 10 2013-07-01 2013-07-01 false Batch cold cleaning machine standards... National Emission Standards for Halogenated Solvent Cleaning § 63.462 Batch cold cleaning machine standards. (a) Each owner or operator of an immersion batch cold solvent cleaning machine shall comply with...

  12. 40 CFR 63.462 - Batch cold cleaning machine standards.

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 9 2010-07-01 2010-07-01 false Batch cold cleaning machine standards... National Emission Standards for Halogenated Solvent Cleaning § 63.462 Batch cold cleaning machine standards. (a) Each owner or operator of an immersion batch cold solvent cleaning machine shall comply with...

  13. 40 CFR 63.462 - Batch cold cleaning machine standards.

    Code of Federal Regulations, 2014 CFR

    2014-07-01

    ... 40 Protection of Environment 10 2014-07-01 2014-07-01 false Batch cold cleaning machine standards... National Emission Standards for Halogenated Solvent Cleaning § 63.462 Batch cold cleaning machine standards. (a) Each owner or operator of an immersion batch cold solvent cleaning machine shall comply with...

  14. Black Hole Thermodynamics in an Undergraduate Thermodynamics Course.

    ERIC Educational Resources Information Center

    Parker, Barry R.; McLeod, Robert J.

    1980-01-01

    An analogy, which has been drawn between black hole physics and thermodynamics, is mathematically broadened in this article. Equations similar to the standard partial differential relations of thermodynamics are found for black holes. The results can be used to supplement an undergraduate thermodynamics course. (Author/SK)

  15. Black Hole Thermodynamics in an Undergraduate Thermodynamics Course.

    ERIC Educational Resources Information Center

    Parker, Barry R.; McLeod, Robert J.

    1980-01-01

    An analogy, which has been drawn between black hole physics and thermodynamics, is mathematically broadened in this article. Equations similar to the standard partial differential relations of thermodynamics are found for black holes. The results can be used to supplement an undergraduate thermodynamics course. (Author/SK)

  16. Thermodynamic Modeling of Arsenic in Copper Smelting Processes

    NASA Astrophysics Data System (ADS)

    Chen, Chunlin; Zhang, Ling; Jahanshahi, Sharif

    2010-12-01

    Published data on the activity coefficients of arsenic in liquid copper, matte and, slag have been reviewed, assessed, and used in the development of thermodynamic databases for solution models of melts. The databases were validated against the literature data on the equilibrium distribution of arsenic between the matte and the slag. The models and databases were used in investigating the effects of matte grade, slag chemistry, SO2 partial pressure, arsenic loading, and temperature on the equilibrium distribution of arsenic between the melts and gas phase during copper smelting and converting. The results obtained show that the continuous smelting processes operates close to equilibrium between condensed phases with most arsenic reporting to the gas phase. A comparison of the batch and continuous converting processes showed a considerable difference with respect to the elimination of the arsenic from condensed phases. These results indicate batch processes to be more efficient in the removal of arsenic through the gas stream.

  17. Uptake and retention of amitriptyline by kaolinite.

    PubMed

    Lv, Guocheng; Stockwell, Christie; Niles, Jacqueline; Minegar, Skylar; Li, Zhaohui; Jiang, Wei-Teh

    2013-12-01

    As the most commonly prescribed tricyclic antidepressant, amitriptyline (AT) is frequently detected in wastewater, surface runoff, and effluents from sewage treatment plants, and could potentially reach agriculture land through the application of municipal biosolids or reclaimed water. Kaolinite is one of the most important soil components under warm and humid climate conditions. In this study, the uptake and retention of AT by kaolinite from aqueous solution were investigated by batch tests, XRD, and FTIR analyses. The uptake of AT on kaolinite was instantaneous, attributed to surface adsorption as confirmed by XRD analyses. Quantitative correlation between desorption of exchangeable cations and AT adsorption confirmed experimentally that cation exchange was the dominant mechanism of AT uptake on kaolinite. The values for free energy of adsorption also suggested physi-sorption such as cation exchange. Solution pH had minimal influence at pH 5-11 even though the pKa value of AT was 9.4 and the surface charge of kaolinite was pH-dependent.

  18. Semiautomated, Reproducible Batch Processing of Soy

    NASA Technical Reports Server (NTRS)

    Thoerne, Mary; Byford, Ivan W.; Chastain, Jack W.; Swango, Beverly E.

    2005-01-01

    A computer-controlled apparatus processes batches of soybeans into one or more of a variety of food products, under conditions that can be chosen by the user and reproduced from batch to batch. Examples of products include soy milk, tofu, okara (an insoluble protein and fiber byproduct of soy milk), and whey. Most processing steps take place without intervention by the user. This apparatus was developed for use in research on processing of soy. It is also a prototype of other soy-processing apparatuses for research, industrial, and home use. Prior soy-processing equipment includes household devices that automatically produce soy milk but do not automatically produce tofu. The designs of prior soy-processing equipment require users to manually transfer intermediate solid soy products and to press them manually and, hence, under conditions that are not consistent from batch to batch. Prior designs do not afford choices of processing conditions: Users cannot use previously developed soy-processing equipment to investigate the effects of variations of techniques used to produce soy milk (e.g., cold grinding, hot grinding, and pre-cook blanching) and of such process parameters as cooking times and temperatures, grinding times, soaking times and temperatures, rinsing conditions, and sizes of particles generated by grinding. In contrast, the present apparatus is amenable to such investigations. The apparatus (see figure) includes a processing tank and a jacketed holding or coagulation tank. The processing tank can be capped by either of two different heads and can contain either of two different insertable mesh baskets. The first head includes a grinding blade and heating elements. The second head includes an automated press piston. One mesh basket, designated the okara basket, has oblong holes with a size equivalent to about 40 mesh [40 openings per inch (.16 openings per centimeter)]. The second mesh basket, designated the tofu basket, has holes of 70 mesh [70 openings

  19. Available Energy via Nonequilibrium Thermodynamics.

    ERIC Educational Resources Information Center

    Woollett, E. L.

    1979-01-01

    Presents basic relations involving the concept of available energy that are derived from the local equations of nonequilibrium thermodynamics. The equations and applications of the local thermodynamic equilibrium LTD model are also presented. (HM)

  20. A Hamiltonian approach to Thermodynamics

    SciTech Connect

    Baldiotti, M.C.; Fresneda, R.; Molina, C.

    2016-10-15

    In the present work we develop a strictly Hamiltonian approach to Thermodynamics. A thermodynamic description based on symplectic geometry is introduced, where all thermodynamic processes can be described within the framework of Analytic Mechanics. Our proposal is constructed on top of a usual symplectic manifold, where phase space is even dimensional and one has well-defined Poisson brackets. The main idea is the introduction of an extended phase space where thermodynamic equations of state are realized as constraints. We are then able to apply the canonical transformation toolkit to thermodynamic problems. Throughout this development, Dirac’s theory of constrained systems is extensively used. To illustrate the formalism, we consider paradigmatic examples, namely, the ideal, van der Waals and Clausius gases. - Highlights: • A strictly Hamiltonian approach to Thermodynamics is proposed. • Dirac’s theory of constrained systems is extensively used. • Thermodynamic equations of state are realized as constraints. • Thermodynamic potentials are related by canonical transformations.

  1. Fluctuating Thermodynamics for Biological Processes

    NASA Astrophysics Data System (ADS)

    Ham, Sihyun

    Because biomolecular processes are largely under thermodynamic control, dynamic extension of thermodynamics is necessary to uncover the mechanisms and driving factors of fluctuating processes. The fluctuating thermodynamics technology presented in this talk offers a practical means for the thermodynamic characterization of conformational dynamics in biomolecules. The use of fluctuating thermodynamics has the potential to provide a comprehensive picture of fluctuating phenomena in diverse biological processes. Through the application of fluctuating thermodynamics, we provide a thermodynamic perspective on the misfolding and aggregation of the various proteins associated with human diseases. In this talk, I will present the detailed concepts and applications of the fluctuating thermodynamics technology for elucidating biological processes. This work was supported by Samsung Science and Technology Foundation under Project Number SSTF-BA1401-13.

  2. On Teaching Thermodynamics

    ERIC Educational Resources Information Center

    Debbasch, F.

    2011-01-01

    The logical structure of classical thermodynamics is presented in a modern, geometrical manner. The first and second law receive clear, operatively oriented statements and the Gibbs free energy extremum principle is fully discussed. Applications relevant to chemistry, such as phase transitions, dilute solutions theory and, in particular, the law…

  3. Thermodynamics in dynamical spacetimes

    NASA Astrophysics Data System (ADS)

    Tresguerres, Romualdo

    2014-03-01

    We derive a general formulation of the laws of irreversible thermodynamics in the presence of electromagnetism and gravity. For the handling of macroscopic material media, we use as a guide the field equations and the Noether identities of fundamental matter as deduced in the framework of gauge theories of the Poincaré ⊗ U(1) group.

  4. Thermodynamics of liquid metal

    SciTech Connect

    Kushnirenko, A.N.

    1988-01-01

    The thermodynamics of a liquid metal based on quantum-mechanical models of the crystal, electronic, and nuclear structures of the metal are derived in this paper. The models are based on such formulations as the Bohr radius, the Boltzmann constant, the Planck Law, the Fermi surface, and the Pauli principle.

  5. Thermodynamics of Resource Recycling.

    ERIC Educational Resources Information Center

    Hauserman, W. B.

    1988-01-01

    Evaluates the overall economic efficiency of a closed resource cycle. Uses elementary thermodynamic definitions of overall thermal efficiency for determining an economically quantifiable basis. Selects aluminum for investigation and includes a value-entropy diagram for a closed aluminum cycle. (MVL)

  6. Thermodynamics with Design Problems.

    ERIC Educational Resources Information Center

    Cilento, E. V.; Sears, J. T.

    1983-01-01

    Discusses how basic thermodynamics concepts are integrated with design problems. Includes course goals, instructional strategies, and major advantages/disadvantages of the integrated design approach. Advantages include making subject more concrete, emphasizing interrelation of variables, and reinforcing concepts by use in design analysis; whereas…

  7. Program Computes Thermodynamic Functions

    NASA Technical Reports Server (NTRS)

    Mcbride, Bonnie J.; Gordon, Sanford

    1994-01-01

    PAC91 is latest in PAC (Properties and Coefficients) series. Two principal features are to provide means of (1) generating theoretical thermodynamic functions from molecular constants and (2) least-squares fitting of these functions to empirical equations. PAC91 written in FORTRAN 77 to be machine-independent.

  8. Thermodynamical Arguments against Evolution

    ERIC Educational Resources Information Center

    Rosenhouse, Jason

    2017-01-01

    The argument that the second law of thermodynamics contradicts the theory of evolution has recently been revived by anti-evolutionists. In its basic form, the argument asserts that whereas evolution implies that there has been an increase in biological complexity over time, the second law, a fundamental principle of physics, shows this to be…

  9. Single molecules: Thermodynamic limits

    NASA Astrophysics Data System (ADS)

    Liphardt, Jan

    2012-09-01

    Technologies aimed at single-molecule resolution of non-equilibrium systems increasingly require sophisticated new ways of thinking about thermodynamics. An elegant extension to standard fluctuation theory grants access to the kinetic intermediate states of these systems -- as DNA-pulling experiments now demonstrate.

  10. On Teaching Thermodynamics

    ERIC Educational Resources Information Center

    Debbasch, F.

    2011-01-01

    The logical structure of classical thermodynamics is presented in a modern, geometrical manner. The first and second law receive clear, operatively oriented statements and the Gibbs free energy extremum principle is fully discussed. Applications relevant to chemistry, such as phase transitions, dilute solutions theory and, in particular, the law…

  11. Thermodynamics of Resource Recycling.

    ERIC Educational Resources Information Center

    Hauserman, W. B.

    1988-01-01

    Evaluates the overall economic efficiency of a closed resource cycle. Uses elementary thermodynamic definitions of overall thermal efficiency for determining an economically quantifiable basis. Selects aluminum for investigation and includes a value-entropy diagram for a closed aluminum cycle. (MVL)

  12. Thermodynamics of Dilute Solutions.

    ERIC Educational Resources Information Center

    Jancso, Gabor; Fenby, David V.

    1983-01-01

    Discusses principles and definitions related to the thermodynamics of dilute solutions. Topics considered include dilute solution, Gibbs-Duhem equation, reference systems (pure gases and gaseous mixtures, liquid mixtures, dilute solutions), real dilute solutions (focusing on solute and solvent), terminology, standard states, and reference systems.…

  13. Thermodynamically Correct Bioavailability Estimations

    DTIC Science & Technology

    1992-04-30

    6448 I 1. SWPPUMENTA* NOTIS lIa. OISTUAMJTiOAVAILAIILTY STATIMENT 121 OT REbT ostwosCo z I Approved for public release; distribution unlimited... research is to develop thermodynamically correct bioavailability estimations using chromatographic stationary phases as a model of the "interphase

  14. Thermodynamics of Organic Compounds

    DTIC Science & Technology

    1982-11-01

    95085 Washiagton, DC 20234 • . 4- Los Angeles, CA 90045 National Bureau of Standards CINDAS Chemical Thermodynamics Division Purdue University...Department of Energy Mackay School of Nines Bartlesville Energy Technology Attn: Prof Eugene Miller Center Reno, NV 89507 Attn: Mr William D Good

  15. SLUDGE BATCH 5 SIMULANT FLOWSHEET STUDIES

    SciTech Connect

    Lambert, D; Michael Stone, M; Bradley Pickenheim, B; David Best, D; David Koopman, D

    2008-10-03

    The Defense Waste Processing Facility (DWPF) will transition from Sludge Batch 4 (SB4) processing to Sludge Batch 5 (SB5) processing in early fiscal year 2009. Tests were conducted using non-radioactive simulants of the expected SB5 composition to determine the impact of varying the acid stoichiometry during the Sludge Receipt and Adjustment Tank (SRAT) and Slurry Mix Evaporator (SME) processes. The work was conducted to meet the Technical Task Request (TTR) HLW/DWPF/TTR-2007-0007, Rev. 1 and followed the guidelines of a Task Technical and Quality Assurance Plan (TT&QAP). The flowsheet studies are performed to evaluate the potential chemical processing issues, hydrogen generation rates, and process slurry rheological properties as a function of acid stoichiometry. Initial SB5 flowsheet studies were conducted to guide decisions during the sludge batch preparation process. These studies were conducted with the estimated SB5 composition at the time of the study. The composition has changed slightly since these studies were completed due to changes in the washing plan to prepare SB5 and the estimated SB4 heel mass. Nine DWPF process simulations were completed in 4-L laboratory-scale equipment using both a batch simulant (Tank 51 simulant after washing is complete) and a blend simulant (Tank 40 simulant after Tank 51 transfer is complete). Each simulant had a set of four SRAT and SME simulations at varying acid stoichiometry levels (115%, 130%, 145% and 160%). One additional run was made using blend simulant at 130% acid that included additions of the Actinide Removal Process (ARP) waste prior to acid addition and the Modular Caustic Side Solvent Extraction (CSSX) Unit (MCU) waste following SRAT dewatering. There are several parameters that are noteworthy concerning SB5 sludge: (1) This is the first batch DWPF will be processing that contains sludge that has had a significant fraction of aluminum removed through aluminum dissolution. (2) The sludge is high in mercury

  16. Batch Model for Batched Timestamps Data Analysis with Application to the SSA Disability Program.

    PubMed

    Yue, Qingqi; Yuan, Ao; Che, Xuan; Huynh, Minh; Zhou, Chunxiao

    2016-08-01

    The Office of Disability Adjudication and Review (ODAR) is responsible for holding hearings, issuing decisions, and reviewing appeals as part of the Social Security Administration's disability determining process. In order to control and process cases, the ODAR has established a Case Processing and Management System (CPMS) to record management information since December 2003. The CPMS provides a detailed case status history for each case. Due to the large number of appeal requests and limited resources, the number of pending claims at ODAR was over one million cases by March 31, 2015. Our National Institutes of Health (NIH) team collaborated with SSA and developed a Case Status Change Model (CSCM) project to meet the ODAR's urgent need of reducing backlogs and improve hearings and appeals process. One of the key issues in our CSCM project is to estimate the expected service time and its variation for each case status code. The challenge is that the systems recorded job departure times may not be the true job finished times. As the CPMS timestamps data of case status codes showed apparent batch patterns, we proposed a batch model and applied the constrained least squares method to estimate the mean service times and the variances. We also proposed a batch search algorithm to determine the optimal batch partition, as no batch partition was given in the real data. Simulation studies were conducted to evaluate the performance of the proposed methods. Finally, we applied the method to analyze a real CPMS data from ODAR/SSA.

  17. BATCH-GE: Batch analysis of Next-Generation Sequencing data for genome editing assessment

    PubMed Central

    Boel, Annekatrien; Steyaert, Woutert; De Rocker, Nina; Menten, Björn; Callewaert, Bert; De Paepe, Anne; Coucke, Paul; Willaert, Andy

    2016-01-01

    Targeted mutagenesis by the CRISPR/Cas9 system is currently revolutionizing genetics. The ease of this technique has enabled genome engineering in-vitro and in a range of model organisms and has pushed experimental dimensions to unprecedented proportions. Due to its tremendous progress in terms of speed, read length, throughput and cost, Next-Generation Sequencing (NGS) has been increasingly used for the analysis of CRISPR/Cas9 genome editing experiments. However, the current tools for genome editing assessment lack flexibility and fall short in the analysis of large amounts of NGS data. Therefore, we designed BATCH-GE, an easy-to-use bioinformatics tool for batch analysis of NGS-generated genome editing data, available from https://github.com/WouterSteyaert/BATCH-GE.git. BATCH-GE detects and reports indel mutations and other precise genome editing events and calculates the corresponding mutagenesis efficiencies for a large number of samples in parallel. Furthermore, this new tool provides flexibility by allowing the user to adapt a number of input variables. The performance of BATCH-GE was evaluated in two genome editing experiments, aiming to generate knock-out and knock-in zebrafish mutants. This tool will not only contribute to the evaluation of CRISPR/Cas9-based experiments, but will be of use in any genome editing experiment and has the ability to analyze data from every organism with a sequenced genome. PMID:27461955

  18. Cyclic Thermodynamics with Open Flow

    SciTech Connect

    Reid, R.S.; Ward, W.C.; Swift, G.W.

    1998-05-01

    Some general features of a new class of thermodynamic device combining a thermodynamic cycle with the externally applied steady flow of an open thermodynamic process are discussed and experimentally demonstrated in the context of a thermoacoustic refrigerator. {copyright} {ital 1998} {ital The American Physical Society}

  19. System for charging batch/cullet in a glass furnace

    SciTech Connect

    Argent, R.D.; Crouse, C.F.

    1992-06-23

    This patent describes a charger for feeding batch material and cullet to a glass melting furnace, the charger of the type having a support frame with a batch hopper therein and a reciprocable charger plate positioned under the hopper for receiving batch material therefrom. This patent describes improvement in: a cullet feed hopper mounted on the charger adjacent to the batch hopper and positioned between the batch hopper and a discharge end of the charger; heat exchange means associated with the cullet feed hopper for preheating the cullet therein: and duct means associated with the heat exchange means adapted to receive hot exhaust gases from the glass furnace for preheating the cullet.

  20. Thermodynamic characterization of Mexico City aerosol during MILAGRO 2006

    NASA Astrophysics Data System (ADS)

    Fountoukis, C.; Nenes, A.; Sullivan, A.; Weber, R.; Vanreken, T.; Fischer, M.; Matías, E.; Moya, M.; Farmer, D.; Cohen, R. C.

    2007-06-01

    Fast measurements of aerosol and gas-phase constituents coupled with the ISORROPIA-II thermodynamic equilibrium model are used to study the partitioning of semivolatile inorganic species and phase state of Mexico City aerosol sampled at the T1 site during the MILAGRO 2006 campaign. Overall, predicted semivolatile partitioning agrees well with measurements. PM2.5 is insensitive to changes in ammonia but is to acidic semivolatile species. Semi-volatile partitioning equilibrates on a timescale between 6 and 20 min. When the aerosol sulfate-to-nitrate molar ratio is less than 1, predictions improve substantially if the aerosol is assumed to follow the deliquescent phase diagram. Treating crustal species as "equivalent sodium" (rather than explicitly) in the thermodynamic equilibrium calculations introduces important biases in predicted aerosol water uptake, nitrate and ammonium; neglecting crustals further increases errors dramatically. This suggests that explicitly considering crustals in the thermodynamic calculations are required to accurately predict the partitioning and phase state of aerosols.

  1. Passing in Command Line Arguments and Parallel Cluster/Multicore Batching in R with batch.

    PubMed

    Hoffmann, Thomas J

    2011-03-01

    It is often useful to rerun a command line R script with some slight change in the parameters used to run it - a new set of parameters for a simulation, a different dataset to process, etc. The R package batch provides a means to pass in multiple command line options, including vectors of values in the usual R format, easily into R. The same script can be setup to run things in parallel via different command line arguments. The R package batch also provides a means to simplify this parallel batching by allowing one to use R and an R-like syntax for arguments to spread a script across a cluster or local multicore/multiprocessor computer, with automated syntax for several popular cluster types. Finally it provides a means to aggregate the results together of multiple processes run on a cluster.

  2. Passing in Command Line Arguments and Parallel Cluster/Multicore Batching in R with batch

    PubMed Central

    Hoffmann, Thomas J.

    2014-01-01

    It is often useful to rerun a command line R script with some slight change in the parameters used to run it – a new set of parameters for a simulation, a different dataset to process, etc. The R package batch provides a means to pass in multiple command line options, including vectors of values in the usual R format, easily into R. The same script can be setup to run things in parallel via different command line arguments. The R package batch also provides a means to simplify this parallel batching by allowing one to use R and an R-like syntax for arguments to spread a script across a cluster or local multicore/multiprocessor computer, with automated syntax for several popular cluster types. Finally it provides a means to aggregate the results together of multiple processes run on a cluster. PMID:25431538

  3. Uptake Mechanisms of Eu(III) on Hydroxyapatite: A Potential Permeable Reactive Barrier Backfill Material for Trapping Trivalent Minor Actinides.

    PubMed

    Xu, Lin; Zheng, Tao; Yang, Shitong; Zhang, Linjuan; Wang, Jianqiang; Liu, Wei; Chen, Lanhua; Diwu, Juan; Chai, Zhifang; Wang, Shuao

    2016-04-05

    The permeable reactive barrier (PRB) technique has attracted an increasing level of attention for the in situ remediation of contaminated groundwater. In this study, the macroscopic uptake behaviors and microscopic speciation of Eu(III) on hydroxyapatite (HAP) were investigated by a combination of theoretical modeling, batch experiments, powder X-ray diffraction (PXRD) fitting, and X-ray absorption spectroscopy (XAS). The underlying removal mechanisms were identified to further assess the application potential of HAP as an effective PRB backfill material. The macroscopic analysis revealed that nearly all dissolved Eu(III) in solution was removed at pH 6.5 within an extremely short reaction time of 5 min. In addition, the thermodynamic calculations, desorption experiments, and PXRD and XAS analyses definitely confirmed the formation of the EuPO4·H2O(s) phase during the process of uptake of dissolved Eu(III) by HAP via the dissolution-precipitation mechanism. A detailed comparison of the present experimental findings and related HAP-metal systems suggests that the relative contribution of precipitation to the total Eu(III) removal increases as the P:Eu ratio decreases. The dosage of HAP-based PRB for the remediation of groundwater polluted by Eu(III) and analogous trivalent actinides [e.g., Am(III) and Cm(III)] should be strictly controlled depending on the dissolved Eu(III) concentration to obtain an optimal P:M (M represents Eu, Am, or Cm) ratio and treatment efficiency.

  4. Kinetic and thermodynamic studies of sulforaphane adsorption on macroporous resin.

    PubMed

    Yuanfeng, Wu; Lei, Zhang; Jianwei, Mao; Shiwang, Liu; Jun, Huang; Yuru, You; Lehe, Mei

    2016-08-15

    The adsorption equilibrium, kinetic and thermodynamic of sulforaphane (SF) adsorption onto macroporous resin in aqueous phase were studied. The SP850 resin was screened as the appropriate resin for SF purification. From the equilibrium studies, the Redlich-Peterson model was found to be the best for description of the adsorption behavior of SF onto SP850 resin, followed by the Freundlich model and the Langmuir model. Batch equilibrium experiments demonstrated that, in the examined temperature range, the equilibrium adsorption capacity of SP850 resin decreased with increasing adsorption temperature. Thermodynamics studies indicated that the adsorption of SF was a physical, exothermic, and spontaneous process. The adsorption kinetics revealed that the pseudo-second-order kinetic model was suitable to characterize the kinetics of adsorption of SF onto SP850. Finally, the intra-particle diffusion model demonstrated that SF diffused quickly into macropores, and that diffusion slowed down in the meso- and micropores.

  5. Thyroid Scan and Uptake

    MedlinePlus

    ... procedures within the last two months that used iodine-based contrast material. Your doctor will instruct you ... a type of nuclear medicine imaging. The radioactive iodine uptake test (RAIU) is also known as a ...

  6. Design of batch minimal bromate oscillator

    NASA Astrophysics Data System (ADS)

    Li, Jun; Wang, Jichang

    2011-05-01

    A new type of minimal bromate oscillator that could exhibit spontaneous oscillations in a closed system was developed in this research. The newly developed oscillator contains a reagent benzoquinone, which does not react with metal catalyst ferroin/ferriin, but modulates the evolution of bromide ions. Since the role of the organic substrate is only the bromine removal, we define this system as a batch minimal bromate oscillator. The bromination of benzoquinone was confirmed with NMR and mass spectrometry measurements. Experiments showed that transient oscillations emerged in a closed reactor when benzoquinone concentration was above a threshold level.

  7. Contact symmetries and Hamiltonian thermodynamics

    SciTech Connect

    Bravetti, A.; Lopez-Monsalvo, C.S.; Nettel, F.

    2015-10-15

    It has been shown that contact geometry is the proper framework underlying classical thermodynamics and that thermodynamic fluctuations are captured by an additional metric structure related to Fisher’s Information Matrix. In this work we analyse several unaddressed aspects about the application of contact and metric geometry to thermodynamics. We consider here the Thermodynamic Phase Space and start by investigating the role of gauge transformations and Legendre symmetries for metric contact manifolds and their significance in thermodynamics. Then we present a novel mathematical characterization of first order phase transitions as equilibrium processes on the Thermodynamic Phase Space for which the Legendre symmetry is broken. Moreover, we use contact Hamiltonian dynamics to represent thermodynamic processes in a way that resembles the classical Hamiltonian formulation of conservative mechanics and we show that the relevant Hamiltonian coincides with the irreversible entropy production along thermodynamic processes. Therefore, we use such property to give a geometric definition of thermodynamically admissible fluctuations according to the Second Law of thermodynamics. Finally, we show that the length of a curve describing a thermodynamic process measures its entropy production.

  8. Canonical fluid thermodynamics

    NASA Technical Reports Server (NTRS)

    Schmid, L. A.

    1972-01-01

    The space-time integral of the thermodynamic pressure plays the role of the thermodynamic potential for compressible, adiabatic flow in the sense that the pressure integral for stable flow is less than for all slightly different flows. This stability criterion can be converted into a variational minimum principle by requiring the molar free-enthalpy and the temperature, which are the arguments of the pressure function, to be generalized velocities, that is, the proper-time derivatives of scalar spare-time functions which are generalized coordinates in the canonical formalism. In a fluid context, proper-time differentiation must be expressed in terms of three independent quantities that specify the fluid velocity. This can be done in several ways, all of which lead to different variants (canonical transformations) of the same constraint-free action integral whose Euler-Lagrange equations are just the well-known equations of motion for adiabatic compressible flow.

  9. Statistical Thermodynamics of Biomembranes

    PubMed Central

    Devireddy, Ram V.

    2010-01-01

    An overview of the major issues involved in the statistical thermodynamic treatment of phospholipid membranes at the atomistic level is summarized: thermodynamic ensembles, initial configuration (or the physical system being modeled), force field representation as well as the representation of long-range interactions. This is followed by a description of the various ways that the simulated ensembles can be analyzed: area of the lipid, mass density profiles, radial distribution functions (RDFs), water orientation profile, Deuteurium order parameter, free energy profiles and void (pore) formation; with particular focus on the results obtained from our recent molecular dynamic (MD) simulations of phospholipids interacting with dimethylsulfoxide (Me2SO), a commonly used cryoprotective agent (CPA). PMID:19460363

  10. Thermodynamics of nuclear transport

    NASA Astrophysics Data System (ADS)

    Wang, Ching-Hao; Mehta, Pankaj; Elbaum, Michael

    Molecular transport across the nuclear envelope is important for eukaryotes for gene expression and signaling. Experimental studies have revealed that nuclear transport is inherently a nonequilibrium process and actively consumes energy. In this work we present a thermodynamics theory of nuclear transport for a major class of nuclear transporters that are mediated by the small GTPase Ran. We identify the molecular elements responsible for powering nuclear transport, which we term the ``Ran battery'' and find that the efficiency of transport, measured by the cargo nuclear localization ratio, is limited by competition between cargo molecules and RanGTP to bind transport receptors, as well as the amount of NTF2 (i.e. RanGDP carrier) available to circulate the energy flow. This picture complements our current understanding of nuclear transport by providing a comprehensive thermodynamics framework to decipher the underlying biochemical machinery. Pm and CHW were supported by a Simons Investigator in the Mathematical Modeling in Living Systems grant (to PM).

  11. New distributions in thermodynamics

    NASA Astrophysics Data System (ADS)

    Maslov, V. P.

    2016-09-01

    A model of the equation of state for classical gases consisting of nonpolar molecules is constructed under the assumption that the spinodal, critical isochore, and second virial coefficients of the gas have been set. The corresponding thermodynamic distributions are determined. It is shown that the isotherms constructed in the framework of the proposed model coincide with the isotherms of the van der Waals model obtained on a different basis.

  12. Black Hole Thermodynamics

    NASA Astrophysics Data System (ADS)

    Israel, Werner

    This chapter reviews the conceptual developments on black hole thermodynamics and the attempts to determine the origin of black hole entropy in terms of their horizon area. The brick wall model and an operational approach are discussed. An attempt to understand at the microlevel how the quantum black hole acquires its thermal properties is included. The chapter concludes with some remarks on the extension of these techniques to describing the dynamical process of black hole evaporation.

  13. Thermodynamics of Organic Compounds

    DTIC Science & Technology

    1979-01-01

    General Techniques for Combustion of Liquid/Soli. Organic Compounds by Oxygen Bomb Calorimetry by Arthur J. Head, William D. Good, and Ccrnelius...Mosselman, Chap. 8; Combustion of Liquid/Solid Organic Compounds with Non-Metallic Hetero-Atoms by Arthur J. Head and William D. Good, Chap. 9; in...0 Box 95085 Washington, DC 20234 Los Angeles, CA 90045 National Bureau of Standards CINDAS Chemical Thermodynamics Division Purdue University

  14. The discovery of thermodynamics

    NASA Astrophysics Data System (ADS)

    Weinberger, Peter

    2013-07-01

    Based on the idea that a scientific journal is also an "agora" (Greek: market place) for the exchange of ideas and scientific concepts, the history of thermodynamics between 1800 and 1910 as documented in the Philosophical Magazine Archives is uncovered. Famous scientists such as Joule, Thomson (Lord Kelvin), Clausius, Maxwell or Boltzmann shared this forum. Not always in the most friendly manner. It is interesting to find out, how difficult it was to describe in a scientific (mathematical) language a phenomenon like "heat", to see, how long it took to arrive at one of the fundamental principles in physics: entropy. Scientific progress started from the simple rule of Boyle and Mariotte dating from the late eighteenth century and arrived in the twentieth century with the concept of probabilities. Thermodynamics was the driving intellectual force behind the industrial revolution, behind the enormous social changes caused by this revolution. The history of thermodynamics is a fascinating story, which also gives insights into the mechanism that seem to govern science.

  15. Thermodynamical Arguments Against Evolution

    NASA Astrophysics Data System (ADS)

    Rosenhouse, Jason

    2017-03-01

    The argument that the second law of thermodynamics contradicts the theory of evolution has recently been revived by anti-evolutionists. In its basic form, the argument asserts that whereas evolution implies that there has been an increase in biological complexity over time, the second law, a fundamental principle of physics, shows this to be impossible. Scientists have responded primarily by noting that the second law does not rule out increases in complexity in open systems, and since the Earth receives energy from the Sun, it is an open system. This reply is correct as far as it goes, and it adequately rebuts the most crude versions of the second law argument. However, it is insufficient against more sophisticated versions, and it leaves many relevant aspects of thermodynamics unexplained. We shall consider the history of the argument, explain the nuances various anti-evolution writers have brought to it, and offer thorough explanations for why the argument is fallacious. We shall emphasize in particular that the second law is best viewed as a mathematical statement. Since anti-evolutionists never make use of the mathematical structure of thermodynamics, invocations of the second law never contribute anything substantive to their discourse.

  16. Thermodynamics of barnase unfolding.

    PubMed

    Griko, Y V; Makhatadze, G I; Privalov, P L; Hartley, R W

    1994-04-01

    The thermodynamics of barnase denaturation has been studied calorimetrically over a broad range of temperature and pH. It is shown that in acidic solutions the heat denaturation of barnase is well approximated by a 2-state transition. The heat denaturation of barnase proceeds with a significant increase of heat capacity, which determines the temperature dependencies of the enthalpy and entropy of its denaturation. The partial specific heat capacity of denatured barnase is very close to that expected for the completely unfolded protein. The specific denaturation enthalpy value extrapolated to 130 degrees C is also close to the value expected for the full unfolding. Therefore, the calorimetrically determined thermodynamic characteristics of barnase denaturation can be considered as characteristics of its complete unfolding and can be correlated with structural features--the number of hydrogen bonds, extent of van der Waals contacts, and the surface areas of polar and nonpolar groups. Using this information and thermodynamic information on transfer of protein groups into water, the contribution of various factors to the stabilization of the native structure of barnase has been estimated. The main contributors to the stabilization of the native state of barnase appear to be intramolecular hydrogen bonds. The contributions of van der Waals interactions between nonpolar groups and those of hydration effects of these groups are not as large if considered separately, but the combination of these 2 factors, known as hydrophobic interactions, is of the same order of magnitude as the contribution of hydrogen bonding.

  17. Thermodynamical Arguments Against Evolution

    NASA Astrophysics Data System (ADS)

    Rosenhouse, Jason

    2017-02-01

    The argument that the second law of thermodynamics contradicts the theory of evolution has recently been revived by anti-evolutionists. In its basic form, the argument asserts that whereas evolution implies that there has been an increase in biological complexity over time, the second law, a fundamental principle of physics, shows this to be impossible. Scientists have responded primarily by noting that the second law does not rule out increases in complexity in open systems, and since the Earth receives energy from the Sun, it is an open system. This reply is correct as far as it goes, and it adequately rebuts the most crude versions of the second law argument. However, it is insufficient against more sophisticated versions, and it leaves many relevant aspects of thermodynamics unexplained. We shall consider the history of the argument, explain the nuances various anti-evolution writers have brought to it, and offer thorough explanations for why the argument is fallacious. We shall emphasize in particular that the second law is best viewed as a mathematical statement. Since anti-evolutionists never make use of the mathematical structure of thermodynamics, invocations of the second law never contribute anything substantive to their discourse.

  18. Nonequilibrium thermodynamics of nucleation

    SciTech Connect

    Schweizer, M.; Sagis, L. M. C.

    2014-12-14

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects.

  19. Nonequilibrium thermodynamics of nucleation.

    PubMed

    Schweizer, M; Sagis, L M C

    2014-12-14

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects.

  20. Nonequilibrium thermodynamics of nucleation

    NASA Astrophysics Data System (ADS)

    Schweizer, M.; Sagis, L. M. C.

    2014-12-01

    We present a novel approach to nucleation processes based on the GENERIC framework (general equation for the nonequilibrium reversible-irreversible coupling). Solely based on the GENERIC structure of time-evolution equations and thermodynamic consistency arguments of exchange processes between a metastable phase and a nucleating phase, we derive the fundamental dynamics for this phenomenon, based on continuous Fokker-Planck equations. We are readily able to treat non-isothermal nucleation even when the nucleating cores cannot be attributed intensive thermodynamic properties. In addition, we capture the dynamics of the time-dependent metastable phase being continuously expelled from the nucleating phase, and keep rigorous track of the volume corrections to the dynamics. Within our framework the definition of a thermodynamic nuclei temperature is manifest. For the special case of nucleation of a gas phase towards its vapor-liquid coexistence, we illustrate that our approach is capable of reproducing recent literature results obtained by more microscopic considerations for the suppression of the nucleation rate due to nonisothermal effects.

  1. Transfer of Campylobacter from a Positive Batch to Broiler Carcasses of a Subsequently Slaughtered Negative Batch: A Quantitative Approach.

    PubMed

    Seliwiorstow, Tomasz; Baré, Julie; Van Damme, Inge; Gisbert Algaba, Ignacio; Uyttendaele, Mieke; De Zutter, Lieven

    2016-06-01

    The present study was conducted to quantify Campylobacter cross-contamination from a positive batch of broiler chicken carcasses to a negative batch at selected processing steps and to evaluate the duration of this cross-contamination. During each of nine visits conducted in three broiler slaughterhouses, Campylobacter levels were determined on broiler carcasses originating from Campylobacter-negative batches processed immediately after Campylobacter-positive batches. Data were collected after four steps during the slaughter process (scalding, plucking, evisceration, and washing) at 1, 10, and 20 min after the start of the slaughter of the batches. Campylobacter levels in ceca of birds from Campylobacter-positive batches ranged from 5.62 to 9.82 log CFU/g. When the preceding positive batch was colonized at a low level, no (enumerable) carcass contamination was found in a subsequent negative batch. However, when Campylobacter levels were high in the positive batch, Campylobacter was found on carcasses of the subsequent negative batch but at levels significantly lower than those found on carcasses from the preceding positive batch. The scalding and the evisceration process contributed the least (< 1.5 log CFU/g) and the most (up to 4 log CFU/ g), respectively, to the Campylobacter transmission from a positive batch to a negative batch. Additionally, the number of Campylobacter cells transferred from positive to negative batches decreased over the first 20 min of sampling time. However, the reduction was slower than previously estimated in risk assessment studies, suggesting that pathogen transfer during crosscontamination is a complex process.

  2. Conversion of batch to molten glass, I: Volume expansion

    SciTech Connect

    Henager, Samuel H; Hrma, Pavel R; Swearingen, Kevin J; Schweiger, Michael J; Marcial, Jose; Tegrotenhuis, Nathan E

    2011-02-01

    Batches designed to simulate nuclear high-level waste glass were compressed into pellets that were heated at a rate of 5 K/min and photographed to obtain the profile area as a function of temperature. Three types of batches were prepared with different nitrate-carbonate ratios. To determine the impact of the heat supply by an exothermic reaction and the batch expansion, the nitrated batches were prepared with varying addition of sucrose. To obtain the impact of the grain size of the quartz component, the mixed nitrate-carbonate batches were prepared with silica particles ranging in size from 5 µm to 195 µm. One batch containing only carbonates was also tested. Sucrose addition had little effect on the batch expansion, while the size of silica was very influential. The 5-μm grains had a strongest effect, causing the generation of both primary and secondary foam, whereas only secondary foam was produced in batches with grains of 45 µm and larger. The retention of gases evolved as the batch melts creates primary foam. Gases evolved from oxidation-reduction reactions once the batch has melted produce secondary foam. We suggest that the viscosity of the melt and the amount of gas evolved are the main influences on foam production. As more gas is produced in the melt and as the glass becomes less viscous, the bubbles of gas coalesce into larger and larger cavities, until the glass can no longer contain the bubbles and they burst, causing the foam to collapse.

  3. 40 CFR 63.491 - Batch front-end process vents-recordkeeping requirements.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... recordkeeping requirements for Group 2 batch front-end process vents that are exempt from the batch mass input..., emissions shall be determined at the batch mass input limitation. (ii) For Group 1 batch front-end process... required. (9) For each Group 2 batch front-end process vent that is exempt from the batch mass input...

  4. Theoretical considerations underlying Na(+) uptake mechanisms in freshwater fishes.

    PubMed

    Parks, Scott K; Tresguerres, Martin; Goss, Greg G

    2008-11-01

    Ion and acid-base regulating mechanisms have been studied at the fish gill for almost a century. Original models proposed for Na(+) and Cl(-) uptake, and their linkage with H(+) and HCO(3)(-) secretion have changed substantially with the development of more sophisticated physiological techniques. At the freshwater fish gill, two dominant mechanisms for Na(+) uptake from dilute environments have persisted in the literature. The use of an apical Na(+)/H(+) exchanger driven by a basolateral Na(+)/K(+)-ATPase versus an apical Na(+) channel electrogenically coupled to an apical H(+)-ATPase have been the source of debate for a number of years. Advances in molecular biology have greatly enhanced our understanding of the basic ion transport mechanisms at the fish gill. However, it is imperative to ensure that thermodynamic principles are followed in the development of new models for gill ion transport. This review will focus on the recent molecular advances for Na(+) uptake in freshwater fish. Emphasis will be placed on thermodynamic constraints that prevent electroneutral apical NHE function in most freshwater environments. By combining recent advances in molecular and functional physiology of fish gills with thermodynamic considerations of ion transport, our knowledge in the field should continue to grow in a logical manner.

  5. Geochemistry of batch-extract waters derived from spoil material collected at the Cordero coal mine, Powder River basin, Wyoming

    USGS Publications Warehouse

    Naftz, D.L.

    1990-01-01

    Batch-mixing experiments to evaluate postmining water quality at the Cordero Mine were conducted by the U.S. Geological Survey during 1984 to 1985. Contact of groundwater from the spoil aquifer with fresh spoil material caused only small changes in major-element concentrations and in pH, unless sulfide oxidation or contact with soluble salts, such as epsomite, occurred. In contrast, large changes in major-element concentration resulted when water from the coal aquifer contacted the spoil material. Only three of seven reaction models considered to explain the water quality changes during the batch-mixing experiments were consistent with the thermodynamic and mineralogical data. The three models used to account for the observed water quality changes derived potassium from potassium feldspar; magnesium from chlorite or epsomite or both; sodium from cation exchange and halite; chloride from halite; silica from potassium feldspar and chlorite; sulfate from gypsum, or epsomite or both, and carbon from carbon dioxide. In general, water quality samples obtained from the batch-mixing experiments using water from the coal aquifer had smaller major-ion concentrations than the actual water quality in the spoil aquifer. These differences can be explained by the limited amount of efflorescent salt dissolution and volume of water used in the experiments. Correction ratios calculated for these experiments may be applied to batch-mixing experiments at other mines in the area, to predict postmining water quality. (USGS)

  6. TANK 50 BATCH 0 SALTSTONE FORMULATION CONFIRMATION

    SciTech Connect

    Langton, C.

    2006-06-05

    Savannah River National Laboratory (SRNL) personnel were requested to confirm the Tank 50 Batch 0 grout formulation per Technical Task Request, SSF-TTR-2006-0001 (task 1 of 2) [1]. Earlier Batch 0 formulation testing used a Tank 50 sample collected in September 2005 and is described elsewhere [2]. The current testing was performed using a sample of Tank 50 waste collected in May 2006. This work was performed according to the Technical Task and Quality Assurance Plan (TT/QAP), WSRC-RP-2006-00594 [3]. The salt solution collected from Tank 50 in May 2006 contained approximately 3 weight percent more solids than the sample collected in September 2005. The insoluble solids took longer to settle in the new sample which was interpreted as indicating finer particles in the current sample. The saltstone formulation developed for the September 2005 Tank 50 Batch 0 sample was confirmed for the May 2006 sample with one minor exception. Saltstone prepared with the Tank 50 sample collected in May 2006 required 1.5 times more Daratard 17 set retarding admixture than the saltstone prepared with the September In addition, a sample prepared with lower shear mixing (stirring with a spatula) had a higher plastic viscosity (57 cP) than samples made with higher shear mixing in a blender (23cP). The static gel times of the saltstone slurries made with low shear mixing were also shorter ({approx}32 minutes) than those for comparable samples made in the blender ({approx}47 minutes). The addition of the various waste streams (ETP, HEU-HCAN, and GPE-HCAN) to Tank 50 from September 2005 to May 2006 has increased the amount of set retarder, Daratard 17, required for processing saltstone slurries through the Saltstone facility. If these streams are continued to be added to Tank 50, the quantity of admixtures required to maintain the same processing conditions for the Saltstone facility will probably change and additional testing is recommended to reconfirm the Tank 50 Saltstone formulation.

  7. Towards the Batch Synthesis of Long DNA

    DTIC Science & Technology

    2002-10-01

    MISMATCHES In a series of papers,136 the SantaLucia NN model137 of Watson - Crick paired DNA thermodynamics was successfully extended to incorporate...generally indicate a- helix coding or structural motifs for DNA incorporation into chromatin. Trifonov, E. N., “3-,!10.5-, 200- and 400-base...double-stranded DNA , is well-described by Hearst’s “weakly bending rod” model with 3.4 Å rise/bp and 13 Å radius for the helix ; its persistence length39

  8. Comparison of heavy metal toxicity in continuous flow and batch reactors

    NASA Astrophysics Data System (ADS)

    Sengor, S. S.; Gikas, P.; Moberly, J. G.; Peyton, B. M.; Ginn, T. R.

    2009-12-01

    The presence of heavy metals may significantly affect microbial growth. In many cases, small amounts of particular heavy metals may stimulate microbial growth; however, larger quantities may result in microbial growth reduction. Environmental parameters, such as growth pattern may alter the critical heavy metal concentration, above which microbial growth stimulation turns to growth inhibition. Thus, it is important to quantify the effects of heavy metals on microbial activity for understanding natural or manmade biological reactors, either in situ or ex situ. Here we compare the toxicity of Zn and Cu on Arthrobacter sp., a heavy metal tolerant microorganism, under continuous flow versus batch reactor operations. Batch and continuous growth tests of Arthrobacter sp. were carried out at various individual and combined concentrations of Zn and Cu. Biomass concentration (OD) was measured for both the batch and continuous reactors, whereas ATP, oxygen uptake rates and substrate concentrations were additionally measured for the continuous system. Results indicated that Cu was more toxic than Zn under all conditions for both systems. In batch reactors, all tested Zn concentrations up to 150 uM showed a stimulatory effect on microbial growth. However, in the case of mixed Zn and Cu exposures, the presence of Zn either eliminated (at the 50 uM level both Zn and Cu) or reduced by ~25% (at the 100 and 150 uM levels both Zn and Cu) the Cu-induced inhibition. In the continuous system, only one test involved combined Cu (40uM) and Zn (125uM) and this test showed similar results to the 40uM Cu continuous test, i.e., no reduction in inhibition. The specific ATP concentration, i.e., ATP/OD, results for the continuous reactor showed an apparent recovery for both Cu-treated populations, although neither the OD nor glucose data showed any recovery. This may reflect that the individual microorganisms that survived after the addition of heavy metals, kept maintaining the usual ATP

  9. Thermodynamics of adaptive molecular resolution

    NASA Astrophysics Data System (ADS)

    Delgado-Buscalioni, R.

    2016-11-01

    A relatively general thermodynamic formalism for adaptive molecular resolution (AMR) is presented. The description is based on the approximation of local thermodynamic equilibrium and considers the alchemic parameter λ as the conjugate variable of the potential energy difference between the atomistic and coarse-grained model Φ=U(1)-U(0). The thermodynamic formalism recovers the relations obtained from statistical mechanics of H-AdResS (Español et al., J. Chem. Phys. 142, 064115, 2015 (doi:10.1063/1.4907006)) and provides relations between the free energy compensation and thermodynamic potentials. Inspired by this thermodynamic analogy, several generalizations of AMR are proposed, such as the exploration of new Maxwell relations and how to treat λ and Φ as `real' thermodynamic variables. This article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'.

  10. Thermodynamics of adaptive molecular resolution.

    PubMed

    Delgado-Buscalioni, R

    2016-11-13

    A relatively general thermodynamic formalism for adaptive molecular resolution (AMR) is presented. The description is based on the approximation of local thermodynamic equilibrium and considers the alchemic parameter λ as the conjugate variable of the potential energy difference between the atomistic and coarse-grained model Φ=U((1))-U((0)) The thermodynamic formalism recovers the relations obtained from statistical mechanics of H-AdResS (Español et al, J. Chem. Phys. 142, 064115, 2015 (doi:10.1063/1.4907006)) and provides relations between the free energy compensation and thermodynamic potentials. Inspired by this thermodynamic analogy, several generalizations of AMR are proposed, such as the exploration of new Maxwell relations and how to treat λ and Φ as 'real' thermodynamic variablesThis article is part of the themed issue 'Multiscale modelling at the physics-chemistry-biology interface'. © 2016 The Author(s).

  11. Thermodynamics of Thermoelectric Materials

    NASA Astrophysics Data System (ADS)

    Doak, Jeff W.

    One challenge facing society is the responsible use of our energy resources. Increasing the efficiency of energy generation provides one path to solving this challenge. One commonality among most current energy generation methods is that waste heat is generated during the generation process. Thermoelectrics can provide a solution to increasing the efficiency of power generation and automotive systems by converting waste heat directly to electricity. The current barrier to implementation of thermoelectric systems is the low efficiencies of underlying thermoelectric materials. The efficiency of a thermoelectric material depends on the electronic and thermal transport properties of the material; a good thermoelectric material should be an electronic conductor and a thermal insulator, traits which generally oppose one another. The thermal properties of a thermoelectric material can be improved by forming nanoscale precipitates with the material which scatter phonons, reducing the thermal conductivity. The electronic properties of a thermoelectric material can be improved by doping the material to increase the electronic conductivity or by alloying the material to favorably alter its band structure. The ability of these chemical modifications to affect the thermoelectric efficiency of material are ultimately governed by the chemical thermodynamics of the system. PbTe is a prototypical thermoelectric material: Alloying PbTe with PbS (or other materials) creates nanostructures which scatter phonons and reduce the lattice thermal conductivity. Doping PbTe with Na increases the hole concentration, increasing the electronic conductivity. In this work, we investigate the thermodynamics of PbTe and similar systems using first principles to understand the underlying mechanisms controlling the formation of nanostructures and the amount of doping allowed in these systems. In this work we: 1) investigate the thermodynamics of pseudo-binary alloys of IV--VI systems to identify the

  12. RNA Thermodynamic Structural Entropy

    PubMed Central

    Garcia-Martin, Juan Antonio; Clote, Peter

    2015-01-01

    Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs). However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE) element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner’99 and Turner’04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at https://github.com/clotelab/RNAentropy/; a full web server is available at http

  13. RNA Thermodynamic Structural Entropy.

    PubMed

    Garcia-Martin, Juan Antonio; Clote, Peter

    2015-01-01

    Conformational entropy for atomic-level, three dimensional biomolecules is known experimentally to play an important role in protein-ligand discrimination, yet reliable computation of entropy remains a difficult problem. Here we describe the first two accurate and efficient algorithms to compute the conformational entropy for RNA secondary structures, with respect to the Turner energy model, where free energy parameters are determined from UV absorption experiments. An algorithm to compute the derivational entropy for RNA secondary structures had previously been introduced, using stochastic context free grammars (SCFGs). However, the numerical value of derivational entropy depends heavily on the chosen context free grammar and on the training set used to estimate rule probabilities. Using data from the Rfam database, we determine that both of our thermodynamic methods, which agree in numerical value, are substantially faster than the SCFG method. Thermodynamic structural entropy is much smaller than derivational entropy, and the correlation between length-normalized thermodynamic entropy and derivational entropy is moderately weak to poor. In applications, we plot the structural entropy as a function of temperature for known thermoswitches, such as the repression of heat shock gene expression (ROSE) element, we determine that the correlation between hammerhead ribozyme cleavage activity and total free energy is improved by including an additional free energy term arising from conformational entropy, and we plot the structural entropy of windows of the HIV-1 genome. Our software RNAentropy can compute structural entropy for any user-specified temperature, and supports both the Turner'99 and Turner'04 energy parameters. It follows that RNAentropy is state-of-the-art software to compute RNA secondary structure conformational entropy. Source code is available at https://github.com/clotelab/RNAentropy/; a full web server is available at http

  14. Optimizing Resource Utilization in Grid Batch Systems

    NASA Astrophysics Data System (ADS)

    Gellrich, Andreas

    2012-12-01

    On Grid sites, the requirements of the computing tasks (jobs) to computing, storage, and network resources differ widely. For instance Monte Carlo production jobs are almost purely CPU-bound, whereas physics analysis jobs demand high data rates. In order to optimize the utilization of the compute node resources, jobs must be distributed intelligently over the nodes. Although the job resource requirements cannot be deduced directly, jobs are mapped to POSIX UID/GID according to the VO, VOMS group and role information contained in the VOMS proxy. The UID/GID then allows to distinguish jobs, if users are using VOMS proxies as planned by the VO management, e.g. ‘role=production’ for Monte Carlo jobs. It is possible to setup and configure batch systems (queuing system and scheduler) at Grid sites based on these considerations although scaling limits were observed with the scheduler MAUI. In tests these limitations could be overcome with a home-made scheduler.

  15. Batch sequential designs for computer experiments

    SciTech Connect

    Moore, Leslie M; Williams, Brian J; Loeppky, Jason L

    2009-01-01

    Computer models simulating a physical process are used in many areas of science. Due to the complex nature of these codes it is often necessary to approximate the code, which is typically done using a Gaussian process. In many situations the number of code runs available to build the Guassian process approximation is limited. When the initial design is small or the underlying response surface is complicated this can lead to poor approximations of the code output. In order to improve the fit of the model, sequential design strategies must be employed. In this paper we introduce two simple distance based metrics that can be used to augment an initial design in a batch sequential manner. In addition we propose a sequential updating strategy to an orthogonal array based Latin hypercube sample. We show via various real and simulated examples that the distance metrics and the extension of the orthogonal array based Latin hypercubes work well in practice.

  16. Materials selection for kraft batch digesters

    SciTech Connect

    Wensley, A.; Moskal, M.; Wilton, W.

    1997-08-01

    Several candidate materials were evaluated by corrosion testing in autoclaves containing white and black liquors for batch digesters. The relationship between corrosion rate and corrosion potential was determined for ASTM SA516-Grade 70 carbon steel, UNS S30403 (Type 304L) austenitic stainless steel, UNS S31803 (2205) and UNS S32550 (2605) duplex stainless steels, and two stainless steel weld overlays, applied by the GMAW (gas metal arc welding) and SAW (submerged arc welding) processes. The tests revealed that SA516-Grade 70 carbon steel and type 304L stainless steel can experience high rates of corrosion. For the duplex stainless steels and weld overlays, corrosion resistance improved with chromium content. A chromium content of at least 25% was found to be necessary for good corrosion resistance.

  17. Reactive Scheduling in Multipurpose Batch Plants

    NASA Astrophysics Data System (ADS)

    Narayani, A.; Shaik, Munawar A.

    2010-10-01

    Scheduling is an important operation in process industries for improving resource utilization resulting in direct economic benefits. It has a two-fold objective of fulfilling customer orders within the specified time as well as maximizing the plant profit. Unexpected disturbances such as machine breakdown, arrival of rush orders and cancellation of orders affect the schedule of the plant. Reactive scheduling is generation of a new schedule which has minimum deviation from the original schedule in spite of the occurrence of unexpected events in the plant operation. Recently, Shaik & Floudas (2009) proposed a novel unified model for short-term scheduling of multipurpose batch plants using unit-specific event-based continuous time representation. In this paper, we extend the model of Shaik & Floudas (2009) to handle reactive scheduling.

  18. Reducing variance in batch partitioning measurements

    SciTech Connect

    Mariner, Paul E.

    2010-08-11

    The partitioning experiment is commonly performed with little or no attention to reducing measurement variance. Batch test procedures such as those used to measure K{sub d} values (e.g., ASTM D 4646 and EPA402 -R-99-004A) do not explain how to evaluate measurement uncertainty nor how to minimize measurement variance. In fact, ASTM D 4646 prescribes a sorbent:water ratio that prevents variance minimization. Consequently, the variance of a set of partitioning measurements can be extreme and even absurd. Such data sets, which are commonplace, hamper probabilistic modeling efforts. An error-savvy design requires adjustment of the solution:sorbent ratio so that approximately half of the sorbate partitions to the sorbent. Results of Monte Carlo simulations indicate that this simple step can markedly improve the precision and statistical characterization of partitioning uncertainty.

  19. On thermodynamic and microscopic reversibility

    SciTech Connect

    Crooks, Gavin E.

    2011-07-12

    The word 'reversible' has two (apparently) distinct applications in statistical thermodynamics. A thermodynamically reversible process indicates an experimental protocol for which the entropy change is zero, whereas the principle of microscopic reversibility asserts that the probability of any trajectory of a system through phase space equals that of the time reversed trajectory. However, these two terms are actually synonymous: a thermodynamically reversible process is microscopically reversible, and vice versa.

  20. Rotary thermodynamic apparatus and method

    SciTech Connect

    Kantor, F. W.

    1985-06-25

    A rotary inertial thermodynamic absorptive system which can be used as a gas-driven heat pump, a heat-flow-driven gas pump, or, in combination, a heat splitter for moving low-grade heat energy from a lower temperature source to a higher temperature heat sink. In one embodiment, an absorptive type rotary inertial thermodynamic device employs overspill/underspill barriers in its absorption and desorption chambers to achieve counterflow heat exchange therebetween and to ensure effective control of thermodynamic impedance.

  1. Dynamics versus thermodynamics

    NASA Astrophysics Data System (ADS)

    Berdichevsky, V. L.

    1991-05-01

    An effort is made to characterize the ways in which the approaches of statistical mechanics and thermodynamics can be useful in the study of the dynamic behavior of structures. This meditation proceeds through consideration of such wide-ranging and deliberately provocative questions as: 'What are to be considered values in a stress-distribution function?' and 'How many degrees-of-freedom has a beam?'; it then gives attention to the hierarchy of vibrations, the interaction of the mechanism of dissipation with invisible degrees of freedom, and a plausible view of vibrations for the case of small dissipation.

  2. Autonomous quantum thermodynamic machines

    NASA Astrophysics Data System (ADS)

    Tonner, Friedemann; Mahler, Günter

    2005-12-01

    We investigate the dynamics of a quantum system consisting of a single spin coupled to an oscillator and sandwiched between two thermal baths at different temperatures. By means of an adequately designed Lindblad equation, it is shown that this device can function as a thermodynamic machine exhibiting Carnot-type cycles. For the present model, this means that when run as a heat engine, coherent motion of the oscillator is amplified. Contrary to the quantum computer, such a machine has a quantum as well as a classical limit. Away from the classical limit, it asymptotically approaches a stationary transport scenario.

  3. Thermodynamics of Rubber Elasticity

    NASA Astrophysics Data System (ADS)

    Pellicer, J.; Manzanares, J. A.; Zúñiga, J.; Utrillas, P.; Fernández, J.

    2001-02-01

    A thermodynamic study of an isotropic rubber band under uniaxial stress is presented on the basis of its equation of state. The behavior of the rubber band is compared with both that of an ideal elastomer and that of an ideal gas, considering the generalized Joule's law as the ideality criterion. First, the thermal expansion of rubber at constant stress and the change in the stress with temperature at constant length are described. Thermoelastic inversion is then considered, and the experimental observations are easily rationalized. Finally, the temperature changes observed in the adiabatic stretching of a rubber band are evaluated from the decrease of entropy with length.

  4. Stochastic thermodynamics of resetting

    NASA Astrophysics Data System (ADS)

    Fuchs, Jaco; Goldt, Sebastian; Seifert, Udo

    2016-03-01

    Stochastic dynamics with random resetting leads to a non-equilibrium steady state. Here, we consider the thermodynamics of resetting by deriving the first and second law for resetting processes far from equilibrium. We identify the contributions to the entropy production of the system which arise due to resetting and show that they correspond to the rate with which information is either erased or created. Using Landauer's principle, we derive a bound on the amount of work that is required to maintain a resetting process. We discuss different regimes of resetting, including a Maxwell demon scenario where heat is extracted from a bath at constant temperature.

  5. Quantitative modeling of viable cell density, cell size, intracellular conductivity, and membrane capacitance in batch and fed-batch CHO processes using dielectric spectroscopy.

    PubMed

    Opel, Cary F; Li, Jincai; Amanullah, Ashraf

    2010-01-01

    Dielectric spectroscopy was used to analyze typical batch and fed-batch CHO cell culture processes. Three methods of analysis (linear modeling, Cole-Cole modeling, and partial least squares regression), were used to correlate the spectroscopic data with routine biomass measurements [viable packed cell volume, viable cell concentration (VCC), cell size, and oxygen uptake rate (OUR)]. All three models predicted offline biomass measurements accurately during the growth phase of the cultures. However, during the stationary and decline phases of the cultures, the models decreased in accuracy to varying degrees. Offline cell radius measurements were unsuccessfully used to correct for the deviations from the linear model, indicating that physiological changes affecting permittivity were occurring. The beta-dispersion was analyzed using the Cole-Cole distribution parameters Deltaepsilon (magnitude of the permittivity drop), f(c) (critical frequency), and alpha (Cole-Cole parameter). Furthermore, the dielectric parameters static internal conductivity (sigma(i)) and membrane capacitance per area (C(m)) were calculated for the cultures. Finally, the relationship between permittivity, OUR, and VCC was examined, demonstrating how the definition of viability is critical when analyzing biomass online. The results indicate that the common assumptions of constant size and dielectric properties used in dielectric analysis are not always valid during later phases of cell culture processes. The findings also demonstrate that dielectric spectroscopy, while not a substitute for VCC, is a complementary measurement of viable biomass, providing useful auxiliary information about the physiological state of a culture. (c) 2010 American Institute of Chemical Engineers

  6. Thermodynamics of Accelerating Black Holes

    NASA Astrophysics Data System (ADS)

    Appels, Michael; Gregory, Ruth; KubizÅák, David

    2016-09-01

    We address a long-standing problem of describing the thermodynamics of an accelerating black hole. We derive a standard first law of black hole thermodynamics, with the usual identification of entropy proportional to the area of the event horizon—even though the event horizon contains a conical singularity. This result not only extends the applicability of black hole thermodynamics to realms previously not anticipated, it also opens a possibility for studying novel properties of an important class of exact radiative solutions of Einstein equations describing accelerated objects. We discuss the thermodynamic volume, stability, and phase structure of these black holes.

  7. Thermodynamics of Accelerating Black Holes.

    PubMed

    Appels, Michael; Gregory, Ruth; Kubizňák, David

    2016-09-23

    We address a long-standing problem of describing the thermodynamics of an accelerating black hole. We derive a standard first law of black hole thermodynamics, with the usual identification of entropy proportional to the area of the event horizon-even though the event horizon contains a conical singularity. This result not only extends the applicability of black hole thermodynamics to realms previously not anticipated, it also opens a possibility for studying novel properties of an important class of exact radiative solutions of Einstein equations describing accelerated objects. We discuss the thermodynamic volume, stability, and phase structure of these black holes.

  8. Thermodynamic constraints on microbial iron oxide reduction

    NASA Astrophysics Data System (ADS)

    Bonneville, S.; Behrends, T.; Haese, R.; van Cappellen, P.

    2003-04-01

    Iron oxides are ubiquitous reactive constituents of soils, sediments and aquifers. They exhibit large surface areas which bind trace metals, nutrients and organic molecules. Under suboxic conditions, iron oxides can reductively dissolve via several abiotic and microbial pathways. In particular, they serve as terminal electron acceptors for the oxidation of organic matter by iron reducing bacteria. The aim of our study was to determine the thermodynamic energy yields of dissimilatory iron reduction for different Fe(III) substrates. We used the facultative anaerobic gram-positive bacterium Shewanella putrefaciens as model iron reducing bacterium, with ferrihydrite, hematite, goethite or Fe(III)-salicylate as electron acceptor, and lactate as electron donor. Experiments were conducted in an anaerobic pH-stat batch reactor, equipped with a polarographic electrode to monitor in situ the dissolved ferrous iron activity. The stoichiometry of total Fe(II) production and acid consumption during the experiments indicated that lactate was oxidized to acetate. From the Fe(II) activity and redox potential measurements, free energy yields were calculated for Fe(III) reduction coupled to lactate oxidation. The results showed that the redox potential of the overall reaction was poised by equilibrium between the Fe(III)-substrate and aqueous Fe(II). Hence, the energy yields decreased in the order ferrihydrite > Fe(III)-salicylate > hematite > goethite. Accumulation of Fe(II) in solution only caused small decreases in the energy yields over the course of the experiments. Cessation of iron reduction, which was observed in all experiments, was therefore not due to thermodynamic limitation, but more likely reflected the decline in cell level of activity.

  9. Clarified sludge (basic oxygen furnace sludge)--an adsorbent for removal of Pb(II) from aqueous solutions--kinetics, thermodynamics and desorption studies.

    PubMed

    Naiya, Tarun Kumar; Bhattacharya, Ashim Kumar; Das, Sudip Kumar

    2009-10-15

    The basic oxygen furnace waste generated in steel plant has been used as a low cost adsorbent for the removal of Pb(II) from aqueous solution. The effect of pH, adsorbent dosage, initial metal ion concentration, contact time and temperature on adsorption process was studied in batch experiments. Results of the equilibrium experiments showed that the solution pH was the key factor affecting the adsorption characteristics. Optimum pH for the adsorption was found to be 5 with corresponding adsorbent dosage level of 5 g/L. The equilibrium was achieved within 1h of contact time. Kinetics data were best described by pseudo second order model. The effective particle diffusion coefficient of Pb(II) is the order of 10(-10)m(2)/s. The maximum uptake was 92.5mg/g. The adsorption data can be well fitted by Freundlich isotherm. The result of the equilibrium studies showed that the solution pH was the key factor affecting the adsorption. External mass transfer analysis was also carried out for the adsorption process. The thermodynamic studies indicated that the adsorption is spontaneous and endothermic. The sorption energy (10.1745 kJ/mol) calculated from Dubinin-Radushkevich isotherm indicated that the adsorption process is chemical in nature. Desorption studies were carried out using dilute mineral acids to elucidate the mechanism of adsorption. Application studies were carried out considering the economic viewpoint of wastewater treatment plant operations.

  10. Removal of malathion from aqueous solution using De-Acidite FF-IP resin and determination by UPLC-MS/MS: equilibrium, kinetics and thermodynamics studies.

    PubMed

    Naushad, Mu; Alothman, Z A; Khan, M R

    2013-10-15

    In the present study, De-Acidite FF-IP resin was used to remove a highly toxic and persistent organophosphorus pesticide (malathion) from the aqueous solution. Batch experiments were performed as a function of various experimental parameters such as effect of pH (2-10), contact time (10-120 min), resin dose (0.05-0.5 g), initial malathion concentration (0.5-2.5 µg mL(-1)) and temperature (25-65°C). The concentration of malathion was determined using a sensitive, selective and rapid ultra-performance liquid chromatography-tandem mass spectrometry (UPLC-MS/MS) method. The uptake rate of malathion on De-Acidite FF-IP resin was rapid and equilibrium established within 40 min. Kinetics studies showed better applicability for pseudo-second-order model. The equilibrium data was fitted to Langmuir and Freundlich isotherm models and the isotherm constants were calculated for malathion. The values of thermodynamic parameters (ΔG(0), ΔH(0) and ΔS(0)) were computed from the Van't Hoff plot of lnKC vs. 1/T which showed that the adsorption of malathion was feasible, endothermic and spontaneous. The regeneration studies were carried out which demonstrated a decrease in the recovery of malathion from 95% to 68% after five consecutive cycles. Breakthrough and exhaustive capacities of malathion were found to be 1.25 mg g(-1) and 3.5 mg g(-1), respectively.

  11. Thermodynamics. [algebraic structure

    NASA Technical Reports Server (NTRS)

    Zeleznik, F. J.

    1976-01-01

    The fundamental structure of thermodynamics is purely algebraic, in the sense of atopological, and it is also independent of partitions, composite systems, the zeroth law, and entropy. The algebraic structure requires the notion of heat, but not the first law. It contains a precise definition of entropy and identifies it as a purely mathematical concept. It also permits the construction of an entropy function from heat measurements alone when appropriate conditions are satisfied. Topology is required only for a discussion of the continuity of thermodynamic properties, and then the weak topology is the relevant topology. The integrability of the differential form of the first law can be examined independently of Caratheodory's theorem and his inaccessibility axiom. Criteria are established by which one can determine when an integrating factor can be made intensive and the pseudopotential extensive and also an entropy. Finally, a realization of the first law is constructed which is suitable for all systems whether they are solids or fluids, whether they do or do not exhibit chemical reactions, and whether electromagnetic fields are or are not present.

  12. Thermodynamics of geothermal fluids

    SciTech Connect

    Rogers, P.S.Z.

    1981-03-01

    A model to predict the thermodynamic properties of geothermal brines, based on a minimum amount of experimental data on a few key systems, is tested. Volumetric properties of aqueous sodium chloride, taken from the literature, are represented by a parametric equation over the range 0 to 300{sup 0}C and 1 bar to 1 kbar. Density measurements at 20 bar needed to complete the volumetric description also are presented. The pressure dependence of activity and thermal properties, derived from the volumetric equation, can be used to complete an equation of state for sodium chloride solutions. A flow calorimeter, used to obtain heat capacity data at high temperatures and pressures, is described. Heat capacity measurements, from 30 to 200{sup 0}C and 1 bar to 200 bar, are used to derive values for the activity coefficient and other thermodynamic properties of sodium sulfate solutions as a function of temperature. Literature data on the solubility of gypsum in mixed electrolyte solutions have been used to evaluate model parameters for calculating gypsum solubility in seawater and natural brines. Predictions of strontium and barium sulfate solubility in seawater also are given.

  13. Thermodynamics of Error Correction

    NASA Astrophysics Data System (ADS)

    Sartori, Pablo; Pigolotti, Simone

    2015-10-01

    Information processing at the molecular scale is limited by thermal fluctuations. This can cause undesired consequences in copying information since thermal noise can lead to errors that can compromise the functionality of the copy. For example, a high error rate during DNA duplication can lead to cell death. Given the importance of accurate copying at the molecular scale, it is fundamental to understand its thermodynamic features. In this paper, we derive a universal expression for the copy error as a function of entropy production and work dissipated by the system during wrong incorporations. Its derivation is based on the second law of thermodynamics; hence, its validity is independent of the details of the molecular machinery, be it any polymerase or artificial copying device. Using this expression, we find that information can be copied in three different regimes. In two of them, work is dissipated to either increase or decrease the error. In the third regime, the protocol extracts work while correcting errors, reminiscent of a Maxwell demon. As a case study, we apply our framework to study a copy protocol assisted by kinetic proofreading, and show that it can operate in any of these three regimes. We finally show that, for any effective proofreading scheme, error reduction is limited by the chemical driving of the proofreading reaction.

  14. Biochemical Thermodynamics under near Physiological Conditions

    ERIC Educational Resources Information Center

    Mendez, Eduardo

    2008-01-01

    The recommendations for nomenclature and tables in Biochemical Thermodynamics approved by IUBMB and IUPAC in 1994 can be easily introduced after the chemical thermodynamic formalism. Substitution of the usual standard thermodynamic properties by the transformed ones in the thermodynamic equations, and the use of appropriate thermodynamic tables…

  15. Biochemical Thermodynamics under near Physiological Conditions

    ERIC Educational Resources Information Center

    Mendez, Eduardo

    2008-01-01

    The recommendations for nomenclature and tables in Biochemical Thermodynamics approved by IUBMB and IUPAC in 1994 can be easily introduced after the chemical thermodynamic formalism. Substitution of the usual standard thermodynamic properties by the transformed ones in the thermodynamic equations, and the use of appropriate thermodynamic tables…

  16. Statistical methods in media optimization for batch and fed-batch animal cell culture.

    PubMed

    De Alwis, Diliny M; Dutton, Roshni L; Scharer, Jeno; Moo-Young, Murray

    2007-03-01

    Hybridoma 130-8F producing anti-F monoclonal antibodies (MAb) were grown in batch and fed-batch mode with glutamine as the limiting substrate. The initial concentration of glucose varied between 10 and 25 mM but was not growth limiting. Monoclonal antibody production was identified as being partially growth associated. Employing the cumulative cell hour concept, external metabolic flux estimates were calculated during the exponential growth phase for MAb, glucose, amino acids, ammonia and lactate. Through nutritional profiling using principal component analysis (PCA) followed by partial least squares regression (PLS), key metabolites were identified and grouped for significant positive, significant negative, low level, and negligible correlation to MAb production, cellular growth, glucose consumption, and ammonia and lactate production. Significant relationships peculiar to Hybridoma 130-8F were identified, such as demand for two normally non-essential amino acids (asparagine and aspartic acid), and the positive correlation between MAb and ammonia production.

  17. Methanosarcina domination in anaerobic sequencing batch reactor at short hydraulic retention time.

    PubMed

    Ma, Jingwei; Zhao, Baisuo; Frear, Craig; Zhao, Quanbao; Yu, Liang; Li, Xiujin; Chen, Shulin

    2013-06-01

    The Archaea population of anaerobic sequential batch reactor (ASBR) featuring cycle operations under varying hydraulic retention time (HRT) was evaluated for treating a dilute waste stream. Terminal-Restriction Length Polymorphism and clone libraries for both 16S rRNA gene and mcrA gene were employed to characterize the methanogenic community structure. Results revealed that a Methanosarcina dominated methanogenic community was successfully established when using an ASBR digester at short HRT. It was revealed that both 16S rRNA and mcrA clone library could not provide complete community structure, while combination of two different clone libraries could capture more archaea diversity. Thermodynamic calculations confirmed a preference for the observed population structure. The results both experimentally and theoretically confirmed that Methanosarcina dominance emphasizing ASBR's important role in treating low strength wastewater as Methanosarcina will be more adept at overcoming temperature and shock loadings experienced with treating this type of wastewater.

  18. Cobalt (II) removal from aqueous solutions by natural hemp fibers: Batch and fixed-bed column studies

    NASA Astrophysics Data System (ADS)

    Tofan, Lavinia; Teodosiu, Carmen; Paduraru, Carmen; Wenkert, Rodica

    2013-11-01

    Natural hemp fibers were explored as sorbent for the removal of Co(II) ions from aqueous solutions in batch and dynamic conditions. The batch Co(II) sorption capacity increased up to pH 5, reached the maximum (7.5-7.8 mg/g) over the initial pH of 4.5-5. As the initial concentration of metal ion increased (in the range of 25-200 mg/L), the cobalt uptake was enhanced, but the Co(II) removal efficiency decreased. The batch sorption of Co(II) on the tested hemp follows a pseudo-second order model, which relies on the assumption that the chemisorptions may be the rate-controlling step. The Langmuir model better described the Co(II) sorption process on the natural hemp fibers in comparison with the Freundlich model. This finding complies with the results of fixed-bed studies which emphasize that the optimal solution for describing the behavior of the investigated hemp bed column is provided by the Thomas model. The sorption capacity of the hemp fibers column (15.44 mg/g) performed better than that of the Co(II)-hemp batch system (13.58 mg/g). The possibility to use hemp fibers as an alternative in the Co(II) wastewater treatment should be studied under pilot scale applications, so as to complete the studies concerning the removal efficiencies with technical and economic factors that influence process scale-up.

  19. Model-based intensification of a fed-batch microbial process for the maximization of polyhydroxybutyrate (PHB) production rate.

    PubMed

    Penloglou, Giannis; Vasileiadou, Athina; Chatzidoukas, Christos; Kiparissides, Costas

    2017-08-01

    An integrated metabolic-polymerization-macroscopic model, describing the microbial production of polyhydroxybutyrate (PHB) in Azohydromonas lata bacteria, was developed and validated using a comprehensive series of experimental measurements. The model accounted for biomass growth, biopolymer accumulation, carbon and nitrogen sources utilization, oxygen mass transfer and uptake rates and average molecular weights of the accumulated PHB, produced under batch and fed-batch cultivation conditions. Model predictions were in excellent agreement with experimental measurements. The validated model was subsequently utilized to calculate optimal operating conditions and feeding policies for maximizing PHB productivity for desired PHB molecular properties. More specifically, two optimal fed-batch strategies were calculated and experimentally tested: (1) a nitrogen-limited fed-batch policy and (2) a nitrogen sufficient one. The calculated optimal operating policies resulted in a maximum PHB content (94% g/g) in the cultivated bacteria and a biopolymer productivity of 4.2 g/(l h), respectively. Moreover, it was demonstrated that different PHB grades with weight average molecular weights of up to 1513 kg/mol could be produced via the optimal selection of bioprocess operating conditions.

  20. 40 CFR Table 1 to Subpart H of... - Batch Processes

    Code of Federal Regulations, 2010 CFR

    2010-07-01

    ... 40 Protection of Environment 9 2010-07-01 2010-07-01 false Batch Processes 1 Table 1 to Subpart H... Standards for Organic Hazardous Air Pollutants for Equipment Leaks Pt. 63, Subpt. H, Table 1 Table 1 to Subpart H of Part 63—Batch Processes Monitoring Frequency for Equipment Other than Connectors Operating...

  1. 40 CFR Table 1 to Subpart H of... - Batch Processes

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 9 2011-07-01 2011-07-01 false Batch Processes 1 Table 1 to Subpart H... Standards for Organic Hazardous Air Pollutants for Equipment Leaks Pt. 63, Subpt. H, Table 1 Table 1 to Subpart H of Part 63—Batch Processes Monitoring Frequency for Equipment Other than Connectors Operating...

  2. System Requirements for On-Line and Batch Retrieval.

    ERIC Educational Resources Information Center

    American Society for Information Science, Washington, DC. Special Interest Group on Computerized Retrieval Services.

    Three papers on system requirements for on-line and batch retrieval presented at the American Society for Information Science (ASIS) annual meeting are included here. At G.D. Searle, data for records related to pharmacology screening are used in a batch system, and an on-line system is used to search information on mutagenic, carcinogenic, and…

  3. Searching CA Condensates, On-Line and Batch.

    ERIC Educational Resources Information Center

    Kaminecki, Ronald M.; And Others

    Batch mode processing is compared, using cost-effectiveness, with on-line processing for computer-aided searching of chemical abstracts. Consideration for time, need, coverage, and adaptability are found to be the criteria by which a searcher selects a method, and sometimes both methods are used. There is a tradeoff between batch mode's slower…

  4. INTERIOR VIEW SHOWING BATCH SCALES. SERIES OF FIVE SCALES WITH ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    INTERIOR VIEW SHOWING BATCH SCALES. SERIES OF FIVE SCALES WITH SIX DIFFERENT MATERIALS. MIX SIFTED DOWN FROM SILOS ABOVE. INGREDIENTS: SAND, SODA ASH, DOLOMITE LIMESTONE, NEPHELINE SYENITE, SALT CAKE. - Chambers-McKee Window Glass Company, Batch Plant, Clay Avenue Extension, Jeannette, Westmoreland County, PA

  5. 40 CFR 63.1321 - Batch process vents provisions.

    Code of Federal Regulations, 2013 CFR

    2013-07-01

    ... classified as Group 1 shall comply with the reference control technology requirements for Group 1 batch...) National Emission Standards for Hazardous Air Pollutant Emissions: Group IV Polymers and Resins § 63.1321... vents shall comply with the requirements in §§ 63.1322 through 63.1327. The batch process vent group...

  6. System Requirements for On-Line and Batch Retrieval.

    ERIC Educational Resources Information Center

    American Society for Information Science, Washington, DC. Special Interest Group on Computerized Retrieval Services.

    Three papers on system requirements for on-line and batch retrieval presented at the American Society for Information Science (ASIS) annual meeting are included here. At G.D. Searle, data for records related to pharmacology screening are used in a batch system, and an on-line system is used to search information on mutagenic, carcinogenic, and…

  7. Comments to Irreversibility in Thermodynamics

    NASA Technical Reports Server (NTRS)

    Zak, M.

    1995-01-01

    The problem of irreversibility in thermodynamics was revisited and analyzed on the microscopic, stochastic, and macroscopic levels of description. It was demonstrated that Newtonian dynamics can be represented in the Reynolds form, a new phenomenological force with non-Lipschitz properties was introduced, and additional non- Lipschitz thermodynamical forces were incorporated into macroscopic models of transport phenomena.

  8. Ch. 33 Modeling: Computational Thermodynamics

    SciTech Connect

    Besmann, Theodore M

    2012-01-01

    This chapter considers methods and techniques for computational modeling for nuclear materials with a focus on fuels. The basic concepts for chemical thermodynamics are described and various current models for complex crystalline and liquid phases are illustrated. Also included are descriptions of available databases for use in chemical thermodynamic studies and commercial codes for performing complex equilibrium calculations.

  9. Thermodynamics--A Practical Subject.

    ERIC Educational Resources Information Center

    Jones, Hugh G.

    1984-01-01

    Provides a simplified, synoptic overview of the area of thermodynamics, enumerating and explaining the four basic laws, and introducing the mathematics involved in a stepwise fashion. Discusses such basic tools of thermodynamics as enthalpy, entropy, Helmholtz free energy, and Gibbs free energy, and their uses in problem solving. (JM)

  10. Thermodynamics--A Practical Subject.

    ERIC Educational Resources Information Center

    Jones, Hugh G.

    1984-01-01

    Provides a simplified, synoptic overview of the area of thermodynamics, enumerating and explaining the four basic laws, and introducing the mathematics involved in a stepwise fashion. Discusses such basic tools of thermodynamics as enthalpy, entropy, Helmholtz free energy, and Gibbs free energy, and their uses in problem solving. (JM)

  11. Thermodynamics from Car to Kitchen

    ERIC Educational Resources Information Center

    Auty, Geoff

    2014-01-01

    The historical background to the laws of thermodynamics is explained using examples we can all observe in the world around us, focusing on motorised transport, refrigeration and solar heating. This is not to be considered as an academic article. The purpose is to improve understanding of thermodynamics rather than impart new knowledge, and for…

  12. Thermodynamics from Car to Kitchen

    ERIC Educational Resources Information Center

    Auty, Geoff

    2014-01-01

    The historical background to the laws of thermodynamics is explained using examples we can all observe in the world around us, focusing on motorised transport, refrigeration and solar heating. This is not to be considered as an academic article. The purpose is to improve understanding of thermodynamics rather than impart new knowledge, and for…

  13. Thermodynamic analysis of conductive filaments

    SciTech Connect

    Karpov, V.; Niraula, D.; Karpov, I.

    2016-08-29

    We present a thermodynamic theory of the conductive filament growth and dissolution in random access memory describing the observed features of their current-voltage (IV) characteristics. Our theory is based on the self-consisted Fokker-Planck approach reducing the filament kinetics to its thermodynamics. Expressing the observed IV features through material parameters, our results pave a way to device improvements.

  14. Thermodynamics and Spontaneity

    NASA Astrophysics Data System (ADS)

    Ochs, Raymond S.

    1996-10-01

    Despite the importance of thermodynamics as the foundation of chemistry, most students emerge from introductory courses with only a dim understanding of this subject. Generally students recognize that the information is significant, yet do not assimilate it into later studies, especially in applied fields such as biology and biochemistry. A clear sense of the problem is reflected in a number of other contributions to this Journal (e.g., 1 - 6). Most (1 - 4, 6) recommend increased rigor in derivation of equations. This may appeal to students in advanced courses in chemical thermodynamics, but not to most. A few other suggestions are to introduce the subject earlier in general chemistry courses (2) or to provide innovative ways to visualize reaction changes (3). I suggest that the problem lies at another level entirely: the meanings of the terms are not clear. Recently, MacNeal (7) introduced the concept of mathsemantics, the joining of mathematics with a deep understanding of the sense (semantics) in which it operates. For example, the author argues that not only can we add apples and oranges (yielding total fruit), but that anything less than such a synthesis is trivial. Mathematics is hard, not because of the actual mathematical part of the problem but because of the semantics. As discussed thoroughly by Weinburg (8), the very names we affix to ideas dominate how we think about them. A similar reorientation would benefit chemical education. By way of example, the word "spontaneous" is widely used in thermodynamics, presumably because the word is familiar and assists understanding of this subject. In the following, I will provide evidence that this word has contributed more to the obfuscation of chemical ideas than it has helped elucidate them. Literature Cited 1. Redlich, O. J. Chem. Educ. 1975, 52, 374 - 376. 2. Bergquist, W.; Heikkinen, H. J. Chem. Educ. 1990, 67, 1000 - 1003. 3. Macomber, R. S. J. Chem. Educ. 1994, 71, 311 - 312. 4. Sanchez, K. S.; Vergenz, R

  15. Thermodynamics of the Earth

    NASA Astrophysics Data System (ADS)

    Stacey, Frank D.

    2010-04-01

    Applications of elementary thermodynamic principles to the dynamics of the Earth lead to robust, quantitative conclusions about the tectonic effects that arise from convection. The grand pattern of motion conveys deep heat to the surface, generating mechanical energy with a thermodynamic efficiency corresponding to that of a Carnot engine operating over the adiabatic temperature gradient between the heat source and sink. Referred to the total heat flux derived from the Earth's silicate mantle, the efficiency is 24% and the power generated, 7.7 × 1012 W, causes all the material deformation apparent as plate tectonics and the consequent geological processes. About 3.5% of this is released in seismic zones but little more than 0.2% as seismic waves. Even major earthquakes are only localized hiccups in this motion. Complications that arise from mineral phase transitions can be used to illuminate details of the motion. There are two superimposed patterns of convection, plate subduction and deep mantle plumes, driven by sources of buoyancy, negative and positive respectively, at the top and bottom of the mantle. The patterns of motion are controlled by the viscosity contrasts (>104 : 1) at these boundaries and are self-selected as the least dissipative mechanisms of heat transfer for convection in a body with very strong viscosity variation. Both are subjects of the thermodynamic efficiency argument. Convection also drives the motion in the fluid outer core that generates the geomagnetic field, although in that case there is an important energy contribution by compositional separation, as light solute is rejected by the solidifying inner core and mixed into the outer core, a process referred to as compositional convection. Uncertainty persists over the core energy balance because thermal conduction is a drain on core energy that has been a subject of diverse estimates, with attendant debate over the need for radiogenic heat in the core. The geophysical approach to

  16. Dynamic Simulation of Batch Photocatalytic Reactor (BPR) for Wastewater Treatment

    NASA Astrophysics Data System (ADS)

    Dutta, Suman

    2012-08-01

    Reactive dyes discharged from dyehouse causes a serious environmental problem. UV/TiO2 photocatalysis has been employed effectively for these organic dyes removal from dye-house effluent. This process produces less amount of non-toxic final product. In this paper a photocatalytic reactor has been designed for Reactive red 198 (RR198) removal from aqueous solution. The reactor is operating in batch mode. After each batch, TiO2 catalyst has been separated and recycled in the next batch. Mathematical model equation of this batch photocatalytic reactor (BPR) has been developed considering Langmuir-Hinshelwood kinetics. Simulation of BPR has been carried out using fourth order Runge-Kutta (RK) method and fifth order RK method (Butcher method). This simulation results can be used to develop an automatic photocatlytic reactor for industrial wastewater treatment. Catalyst activity decay and its effect on each batch have been incorporated in this model.

  17. A canned food scheduling problem with batch due date

    NASA Astrophysics Data System (ADS)

    Chung, Tsui-Ping; Liao, Ching-Jong; Smith, Milton

    2014-09-01

    This article considers a canned food scheduling problem where jobs are grouped into several batches. Jobs can be sent to the next operation only when all the jobs in the same batch have finished their processing, i.e. jobs in a batch, have a common due date. This batch due date problem is quite common in canned food factories, but there is no efficient heuristic to solve the problem. The problem can be formulated as an identical parallel machine problem with batch due date to minimize the total tardiness. Since the problem is NP hard, two heuristics are proposed to find the near-optimal solution. Computational results comparing the effectiveness and efficiency of the two proposed heuristics with an existing heuristic are reported and discussed.

  18. Thermodynamic cost of acquiring information.

    PubMed

    Micadei, Kaonan; Serra, Roberto M; Céleri, Lucas C

    2013-12-01

    Connections between information theory and thermodynamics have proven to be very useful to establish bounding limits for physical processes. Ideas such as Landauer's erasure principle and information-assisted work extraction have greatly contributed not only to broadening our understanding about the fundamental limits imposed by nature, but also paving the way for practical implementations of information-processing devices. The intricate information-thermodynamics relation also entails a fundamental limit on parameter estimation, establishing a thermodynamic cost for information acquisition. We show that the amount of information that can be encoded in a physical system by means of a unitary process is limited by the dissipated work during the implementation of the process. This includes a thermodynamic tradeoff for information acquisition. Likewise, the information acquisition process is ultimately limited by the second law of thermodynamics. This tradeoff for information acquisition may find applications in several areas of knowledge.

  19. Nonequilibrium Thermodynamics in Biological Systems

    NASA Astrophysics Data System (ADS)

    Aoki, I.

    2005-12-01

    1. Respiration Oxygen-uptake by respiration in organisms decomposes macromolecules such as carbohydrate, protein and lipid and liberates chemical energy of high quality, which is then used to chemical reactions and motions of matter in organisms to support lively order in structure and function in organisms. Finally, this chemical energy becomes heat energy of low quality and is discarded to the outside (dissipation function). Accompanying this heat energy, entropy production which inevitably occurs by irreversibility also is discarded to the outside. Dissipation function and entropy production are estimated from data of respiration. 2. Human body From the observed data of respiration (oxygen absorption), the entropy production in human body can be estimated. Entropy production from 0 to 75 years old human has been obtained, and extrapolated to fertilized egg (beginning of human life) and to 120 years old (maximum period of human life). Entropy production show characteristic behavior in human life span : early rapid increase in short growing phase and later slow decrease in long aging phase. It is proposed that this tendency is ubiquitous and constitutes a Principle of Organization in complex biotic systems. 3. Ecological communities From the data of respiration of eighteen aquatic communities, specific (i.e. per biomass) entropy productions are obtained. They show two phase character with respect to trophic diversity : early increase and later decrease with the increase of trophic diversity. The trophic diversity in these aquatic ecosystems is shown to be positively correlated with the degree of eutrophication, and the degree of eutrophication is an "arrow of time" in the hierarchy of aquatic ecosystems. Hence specific entropy production has the two phase: early increase and later decrease with time. 4. Entropy principle for living systems The Second Law of Thermodynamics has been expressed as follows. 1) In isolated systems, entropy increases with time and

  20. Bridging the gap between batch and column experiments: A case study of Cs adsorption on granite.

    PubMed

    Wang, Tsing-Hai; Li, Ming-Hsu; Teng, Shi-Ping

    2009-01-15

    Both batch and column methods are conventionally utilized to determine some critical parameters for assessing the transport of contaminants of concern. The validity of using these parameters is somewhat confusing, however, since outputs such as distribution coefficient (Kd) from these two approaches are often discrepant. To bridge this gap, all possible factors that might contribute to this discrepancy were thoroughly investigated in this report by a case study of Cs sorption to crushed granite under various conditions. Our results confirm an important finding that solid/liquid (S/L) ratio is the dominant factor responsible for this discrepancy. As long as the S/L ratio exceeds 0.25, a consistent Kd value can be reached by the two methods. Under these conditions (S/L ratios>0.25), the sorption capacity of the solid is about an order of magnitude less than that in low S/L ratios (<0.25). Although low sorption capacity is observed in the cases of high S/L ratios, the sorption usually takes place preferentially on the most favorable (thermodynamically stable) sorption sites to form a stronger binding. This is verified by our desorption experiments in which a linear isotherm feature is shown either in deionized water or in 1M of ammonium acetate solutions. It may be concluded that batch experiment with an S/L ratio exceeding 0.25 is crucial to obtain convincing Kd values for safety assessment of radioactive waste repository.

  1. Cooling by Thermodynamic Induction

    NASA Astrophysics Data System (ADS)

    Patitsas, S. N.

    2017-03-01

    A method is described for cooling conductive channels to below ambient temperature. The thermodynamic induction principle dictates that the electrically biased channel will cool if the electrical conductance decreases with temperature. The extent of this cooling is calculated in detail for both cases of ballistic and conventional transport with specific calculations for carbon nanotubes and conventional metals, followed by discussions for semiconductors, graphene, and metal-insulator transition systems. A theorem is established for ballistic transport stating that net cooling is not possible. For conventional transport, net cooling is possible over a broad temperature range, with the range being size-dependent. A temperature clamping scheme for establishing a metastable nonequilibrium stationary state is detailed and followed with discussion of possible applications to on-chip thermoelectric cooling in integrated circuitry and quantum computer systems.

  2. Geometry of thermodynamic control.

    PubMed

    Zulkowski, Patrick R; Sivak, David A; Crooks, Gavin E; DeWeese, Michael R

    2012-10-01

    A deeper understanding of nonequilibrium phenomena is needed to reveal the principles governing natural and synthetic molecular machines. Recent work has shown that when a thermodynamic system is driven from equilibrium then, in the linear response regime, the space of controllable parameters has a Riemannian geometry induced by a generalized friction tensor. We exploit this geometric insight to construct closed-form expressions for minimal-dissipation protocols for a particle diffusing in a one-dimensional harmonic potential, where the spring constant, inverse temperature, and trap location are adjusted simultaneously. These optimal protocols are geodesics on the Riemannian manifold and reveal that this simple model has a surprisingly rich geometry. We test these optimal protocols via a numerical implementation of the Fokker-Planck equation and demonstrate that the friction tensor arises naturally from a first-order expansion in temporal derivatives of the control parameters, without appealing directly to linear response theory.

  3. Modern problems of thermodynamics

    NASA Astrophysics Data System (ADS)

    Novikov, I. I.

    2012-12-01

    The role of energy and methods of its saving for the development of human society and life are analyzed. The importance of future use of space energy flows and energy of water and air oceans is emphasized. The authors consider the idea of the unit for production of electric energy and pure substances using sodium chloride which reserves are limitless on the planet. Looking retrospectively at the development of power engineering from the elementary fire to modern electric power station, we see that the used method of heat production, namely by direct interaction of fuel and oxidizer, is the simplest. However, it may be possible to combust coal, i.e., carbon in salt melt, for instance, sodium chloride that would be more rational and efficient. If the stated problems are solved positively, we would master all energy properties of the substance; and this is the main problem of thermodynamics being one of the sciences on energy.

  4. Thermodynamics and cement science

    SciTech Connect

    Damidot, D.; Lothenbach, B.; Herfort, D.; Glasser, F.P.

    2011-07-15

    Thermodynamics applied to cement science has proved to be very valuable. One of the most striking findings has been the extent to which the hydrate phases, with one conspicuous exception, achieve equilibrium. The important exception is the persistence of amorphous C-S-H which is metastable with respect to crystalline calcium silicate hydrates. Nevertheless C-S-H can be included in the scope of calculations. As a consequence, from comparison of calculation and experiment, it appears that kinetics is not necessarily an insuperable barrier to engineering the phase composition of a hydrated Portland cement. Also the sensitivity of the mineralogy of the AFm and AFt phase compositions to the presence of calcite and to temperature has been reported. This knowledge gives a powerful incentive to develop links between the mineralogy and engineering properties of hydrated cement paste and, of course, anticipates improvements in its performance leading to decreasing the environmental impacts of cement production.

  5. Cooling by Thermodynamic Induction

    NASA Astrophysics Data System (ADS)

    Patitsas, S. N.

    2016-11-01

    A method is described for cooling conductive channels to below ambient temperature. The thermodynamic induction principle dictates that the electrically biased channel will cool if the electrical conductance decreases with temperature. The extent of this cooling is calculated in detail for both cases of ballistic and conventional transport with specific calculations for carbon nanotubes and conventional metals, followed by discussions for semiconductors, graphene, and metal-insulator transition systems. A theorem is established for ballistic transport stating that net cooling is not possible. For conventional transport, net cooling is possible over a broad temperature range, with the range being size-dependent. A temperature clamping scheme for establishing a metastable nonequilibrium stationary state is detailed and followed with discussion of possible applications to on-chip thermoelectric cooling in integrated circuitry and quantum computer systems.

  6. Thermodynamics of Protein Aggregation

    NASA Astrophysics Data System (ADS)

    Osborne, Kenneth L.; Barz, Bogdan; Bachmann, Michael; Strodel, Birgit

    Amyloid protein aggregation characterizes many neurodegenerative disorders, including Alzheimer's, Parkinson's, and Creutz- feldt-Jakob disease. Evidence suggests that amyloid aggregates may share similar aggregation pathways, implying simulation of full-length amyloid proteins is not necessary for understanding amyloid formation. In this study we simulate GNNQQNY, the N-terminal prion-determining domain of the yeast protein Sup35 to investigate the thermodynamics of structural transitions during aggregation. We use a coarse-grained model with replica-exchange molecular dynamics to investigate the association of 3-, 6-, and 12-chain GNNQQNY systems and we determine the aggregation pathway by studying aggregation states of GN- NQQNY. We find that the aggregation of the hydrophilic GNNQQNY sequence is mainly driven by H-bond formation, leading to the formation of /3-sheets from the very beginning of the assembly process. Condensation (aggregation) and ordering take place simultaneously, which is underpinned by the occurrence of a single heat capacity peak only.

  7. Thermodynamics of anisotropic branes

    NASA Astrophysics Data System (ADS)

    Ávila, Daniel; Fernández, Daniel; Patiño, Leonardo; Trancanelli, Diego

    2016-11-01

    We study the thermodynamics of flavor D7-branes embedded in an anisotropic black brane solution of type IIB supergravity. The flavor branes undergo a phase transition between a `Minkowski embedding', in which they lie outside of the horizon, and a `black hole embedding', in which they fall into the horizon. This transition depends on the black hole temperature, its degree of anisotropy, and the mass of the flavor degrees of freedom. It happens either at a critical temperature or at a critical anisotropy. A general lesson we learn from this analysis is that the anisotropy, in this particular realization, induces similar effects as the temperature. In particular, increasing the anisotropy bends the branes more and more into the horizon. Moreover, we observe that the transition becomes smoother for higher anisotropies.

  8. Assessment of CO₂ adsorption capacity on activated carbons by a combination of batch and dynamic tests.

    PubMed

    Balsamo, Marco; Silvestre-Albero, Ana; Silvestre-Albero, Joaquín; Erto, Alessandro; Rodríguez-Reinoso, Francisco; Lancia, Amedeo

    2014-05-27

    In this work, batch and dynamic adsorption tests are coupled for an accurate evaluation of CO2 adsorption performance of three different activated carbons (AC) obtained from olive stones by chemical activation followed by physical activation with CO2 at varying times (i.e., 20, 40, and 60 h). Kinetic and thermodynamic CO2 adsorption tests from simulated flue gas at different temperatures and CO2 pressures are carried out under both batch (a manometric equipment operating with pure CO2) and dynamic (a lab-scale fixed-bed column operating with a CO2/N2 mixture) conditions. The textural characterization of the AC samples shows a direct dependence of both micropore and ultramicropore volume on the activation time; hence, AC60 has the higher contribution. The adsorption tests conducted at 273 and 293 K showed that when CO2 pressure is lower than 0.3 bar, the lower the activation time, the higher CO2 adsorption capacity; a ranking of ω(eq)(AC20) > ω(eq)(AC40) > ω(eq)(AC60) can be exactly defined when T = 293 K. This result is likely ascribed to the narrower pore size distribution of the AC20 sample, whose smaller pores are more effective for CO2 capture at higher temperature and lower CO2 pressure, the latter representing operating conditions of major interest for decarbonation of flue gas effluent. Moreover, the experimental results obtained from dynamic tests confirm the results derived from the batch tests in terms of CO2 adsorption capacity. It is important to highlight the fact that the adsorption of N2 on the synthesized AC samples can be considered to be negligible. Finally, the importance of proper analysis for data characterization and adsorption experimental results is highlighted for the correct assessment of the CO2 removal performance of activated carbons at different CO2 pressures and operating temperatures.

  9. Thermodynamic aspects of vitrification.

    PubMed

    Wowk, Brian

    2010-02-01

    Vitrification is a process in which a liquid begins to behave as a solid during cooling without any substantial change in molecular arrangement or thermodynamic state variables. The physical phenomenon of vitrification is relevant to both cryopreservation by freezing, in which cells survive in glass between ice crystals, and cryopreservation by vitrification in which a whole sample is vitrified. The change from liquid to solid behavior is called the glass transition. It is coincident with liquid viscosity reaching 10(13) Poise during cooling, which corresponds to a shear stress relaxation time of several minutes. The glass transition can be understood on a molecular level as a loss of rotational and translational degrees of freedom over a particular measurement timescale, leaving only bond vibration within a fixed molecular structure. Reduced freedom of molecular movement results in decreased heat capacity and thermal expansivity in glass relative to the liquid state. In cryoprotectant solutions, the change from liquid to solid properties happens over a approximately 10 degrees C temperature interval centered on a glass transition temperature, typically near -120 degrees C (+/-10 degrees C) for solutions used for vitrification. Loss of freedom to quickly rearrange molecular position causes liquids to depart from thermodynamic equilibrium as they turn into a glass during vitrification. Residual molecular mobility below the glass transition temperature allows glass to very slowly contract, release heat, and decrease entropy during relaxation toward equilibrium. Although diffusion is practically non-existent below the glass transition temperature, small local movements of molecules related to relaxation have consequences for cryobiology. In particular, ice nucleation in supercooled vitrification solutions occurs at remarkable speed until at least 15 degrees C below the glass transition temperature. Copyright 2009 Elsevier Inc. All rights reserved.

  10. [Neoplasms and medical thermodynamics].

    PubMed

    Klimek, Rudolf

    2003-09-01

    Oncology--just as every field of medicine that deals with etiology, diagnostics, pathomechanism and treatment of diseases--is only a part of the general human knowledge, whose all significant achievements must be used to protect human health. This pursuit has as its object not only the benefits form practical discoveries (L. Pasteur, W.C. Roentgen, P. Curie and M. Skłodowska-Curie, V. Schally etc.), but also theoretical generalizations (A. Einstein, W.K. Heisenberg and I. Prigogine). Unfortunately it is the lack and/or slow adaptation of that information, that is responsible for the still unsatisfactory progress in clinical oncology. Responsibility rests not only with oncologists, but primarily with editors of medical journals and textbooks, who have a moral duty to follow the entire general knowledge, especially in the field of the basic research. On the basis of an analysis of the contents of the Polish oncology textbooks and materials from the specialist conferences in gynaecologic oncology, they were found to: 1. Omit the current, particularly domestic literature, 2. Contain mostly works, whose conclusions are textbook information, 3. Rarely include studies in the area of medical thermodynamics, 4. Attempt to explain the effects of the modern technologies, e.g. fotodynamics or nanotechnology using theoretical generalizations which are inadequate for them, and 5. Disregard the rule primum non nocere not only in prevention but even in the treatment of neoplasms. Neoplastic disease has many conditionings and types because of the unique identity of the neoplasms which cause it and which are caused by universal and natural phenomena of the self-organizing dissipative structures. It requires not only early diagnosing but also causative treatment already in the precancerous states, which are better detected by modern methods based on the quantum thermodynamics (lasers, fotodynamics, nuclear magnetic resonance, genetic nanotechnology etc.).

  11. Thermodynamics of feldspathoid solutions

    NASA Astrophysics Data System (ADS)

    Sack, Richard O.; Ghiorso, Mark S.

    We have developed models for the thermody-namic properties of nephelines, kalsilites, and leucites in the simple system NaAlSiO4-KAlSiO4-Ca0.5AlSiO4-SiO2-H2O that are consistent with all known constraints on subsolidus equilibria and thermodynamic properties, and have integrated them into the existing MELTS software package. The model for nepheline is formulated for the simplifying assumptions that (1) a molecular mixing-type approximation describes changes in the configurational entropy associated with the coupled exchange substitutions □Si?NaAl and □Ca? Na2 and that (2) Na+ and K+ display long-range non-convergent ordering between a large cation and the three small cation sites in the Na4Al4Si4O16 formula unit. Notable features of the model include the prediction that the mineral tetrakalsilite (``panunzite'', sensu stricto) results from anti-ordering of Na and K between the large cation and the three small cation sites in the nepheline structure at high temperatures, an average dT/dP slope of about 55°/kbar for the reaction over the temperature and pressure ranges 800-1050 °C and 500-5000 bars, roughly symmetric (i.e. quadratic) solution behavior of the K-Na substitution along joins between fully ordered components in nepheline, and large positive Gibbs energies for the nepheline reciprocal reactions and and for the leucite reciprocal reaction

  12. Effect of glass-batch makeup on the melting process

    SciTech Connect

    Hrma, Pavel R; Schweiger, Michael J; Humrickhouse, Carissa J; Moody, J Adam; Tate, Rachel M; Rainsdon, Timothy T; Tegrotenhuis, Nathan E; Arrigoni, Benjamin M; Marcial, Jose; Rodriguez, Carmen P; Tincher, Benjamin

    2010-03-29

    The response of a glass batch to heating is determined by the batch makeup and in turn determines the rate of melting. Batches formulated for a high-alumina nuclear waste to be vitrified in an all-electric melter were heated at a constant temperature-increase rate to determine changes in melting behavior in response to the selection of batch chemicals and silica grain-size as well as the addition of heat-generating reactants. The type of batch materials and the size of silica grains determine how much, if any, primary foam occurs during melting. Small quartz grains, 5-μm in size, caused extensive foaming because their major portion dissolved at temperatures <800°C, contributing to the formation of viscous glass-forming melt that trapped evolving batch gases. Primary foam did not occur in batches with larger quartz grains, ±75 μm in size, because their major portion dissolved at temperatures >800°C when batch gases no longer evolved. The exothermal reaction of nitrates with sucrose was ignited at a temperature as low as 160°C and caused a temporary jump in temperature of several hundred degrees. Secondary foam, the source of which is oxygen from redox reactions, occurred in all batches of a limited composition variation involving five oxides, B2O3, CaO, Li2O, MgO, and Na2O. The foam volume at the maximum volume-increase rate was a weak function of temperature and melt basicity. Neither the batch makeup nor the change in glass composition had a significant impact on the dissolution of silica grains. The impacts of primary foam generation on glass homogeneity and the rate of melting in large-scale continuous furnaces have yet to be established via mathematical modeling and melter experiments.

  13. Biodenitrification in Sequencing Batch Reactors. Final report

    SciTech Connect

    Silverstein, J.

    1996-01-23

    One plan for stabilization of the Solar Pond waters and sludges at Rocky Flats Plant (RFP), is evaporation and cement solidification of the salts to stabilize heavy metals and radionuclides for land disposal as low-level mixed waste. It has been reported that nitrate (NO{sub 3}{sub {minus}}) salts may interfere with cement stabilization of heavy metals and radionuclides. Therefore, biological nitrate removal (denitrification) may be an important pretreatment for the Solar Pond wastewaters at RFP, improving the stability of the cement final waste form, reducing the requirement for cement (or pozzolan) additives and reducing the volume of cemented low-level mixed waste requiring ultimate disposal. A laboratory investigation of the performance of the Sequencing Batch Reactor (SBR) activated sludge process developed for nitrate removal from a synthetic brine typical of the high-nitrate and high-salinity wastewaters in the Solar Ponds at Rocky Flats Plant was carried out at the Environmental Engineering labs at the University of Colorado, Boulder, between May 1, 1994 and October 1, 1995.

  14. Growth and nutrient removal in free and immobilized green algae in batch and semi-continuous cultures treating real wastewater.

    PubMed

    Ruiz-Marin, Alejandro; Mendoza-Espinosa, Leopoldo G; Stephenson, Tom

    2010-01-01

    Two species of microalgae growing as immobilized and free-cells were compared to test its ability to remove N and P in batch cultures of urban wastewater. The best microalgae-cell growth configuration was selected to be tested in bioreactor operated in semi-continuous mode. Scenedesmus obliquus showed a higher N and P uptake rate in urban wastewater than Chlorella vulgaris. When tested in semi-continuous mode and with the re-calcification of beads, S. obliquus was more effective in removing N and P for longer periods (181 h) than batch cultures; fecal coliforms removal was good (95%) although the final concentration was still unsuitable for discharge to natural water bodies. Protein and lipids content analysis suggest that, from a practical point of view, immobilized systems could facilitate the separation of the biomass from the treated wastewater although in terms of nutritional value of the biomass, immobilized systems do not represent an advantage over free-cell systems.

  15. Batch-to-batch quality consistency evaluation of botanical drug products using multivariate statistical analysis of the chromatographic fingerprint.

    PubMed

    Xiong, Haoshu; Yu, Lawrence X; Qu, Haibin

    2013-06-01

    Botanical drug products have batch-to-batch quality variability due to botanical raw materials and the current manufacturing process. The rational evaluation and control of product quality consistency are essential to ensure the efficacy and safety. Chromatographic fingerprinting is an important and widely used tool to characterize the chemical composition of botanical drug products. Multivariate statistical analysis has showed its efficacy and applicability in the quality evaluation of many kinds of industrial products. In this paper, the combined use of multivariate statistical analysis and chromatographic fingerprinting is presented here to evaluate batch-to-batch quality consistency of botanical drug products. A typical botanical drug product in China, Shenmai injection, was selected as the example to demonstrate the feasibility of this approach. The high-performance liquid chromatographic fingerprint data of historical batches were collected from a traditional Chinese medicine manufacturing factory. Characteristic peaks were weighted by their variability among production batches. A principal component analysis model was established after outliers were modified or removed. Multivariate (Hotelling T(2) and DModX) control charts were finally successfully applied to evaluate the quality consistency. The results suggest useful applications for a combination of multivariate statistical analysis with chromatographic fingerprinting in batch-to-batch quality consistency evaluation for the manufacture of botanical drug products.

  16. Magnesium Uptake by Soybeans

    PubMed Central

    Leggett, J. E.; Gilbert, W. A.

    1969-01-01

    Magnesium contents of soybean (Glycine max) roots increase and the K and Ca contents decrease with increased MgCl2 concentrations in ambient solutions. The Mg uptake is inhibited when both Ca and K are present in the solution, but not by K or Ca alone. Chloride uptake, which is very low from the MgCl2 solution, is greatly enhanced by the presence of K. The selectivity against Mg imparted by K + Ca appears to be at an external barrier for cation uptake as shown by its dependence on the presence of Ca in the external solution. The Ca content of roots is influenced only slightly by changes in external Ca concentrations from 10−4 to 10−2m, but that of shoots is greatly enhanced as the Ca concentration is increased or the K concentration is decreased. These effects on Ca contents are explained as arising from transport to the shoot without involvement of vacuoles of root cells. PMID:16657186

  17. 40 CFR 205.57-6 - Acceptance and rejection of batches.

    Code of Federal Regulations, 2011 CFR

    2011-07-01

    ... 40 Protection of Environment 25 2011-07-01 2011-07-01 false Acceptance and rejection of batches... Acceptance and rejection of batches. (a) The batch from which a batch sample is selected will be accepted or rejected based upon the number of failing vehicles in the batch sample. A sufficient number of test...

  18. Kinetic and thermodynamic study of the liquid-phase etherification of isoamylenes with methanol

    SciTech Connect

    Piccoli, R.L. ); Lovisi, H.R. )

    1995-02-01

    The kinetics and thermodynamics of liquid-phase etherification of isoamylenes with methanol on ion exchange catalyst (Amberlyst 15) were studied. Thermodynamic properties and rate data were obtained in a batch reactor operating under 1,013 kPa and 323--353 K. The kinetic equation was modeled following the Langmuir-Hinshelwood-Hougen-Watson formalism according to a proposed surface mechanism where the rate-controlling step is the surface reaction. According to the experimental results, methanol adsorbs very strongly on the active sites, covering them completely, and thus the reaction follows an apparent first-order behavior. The isoamylenes, according to the proposed mechanism, adsorb simultaneously on the same single active center already occupied by methanol, migrating through the liquid layer formed by the alcohol around the catalyst to react in the acidic site. From the proposed mechanism a model was suggested and the kinetic and thermodynamic parameters were obtained using nonlinear estimation methods.

  19. Thermodynamics of weight loss diets.

    PubMed

    Fine, Eugene J; Feinman, Richard D

    2004-12-08

    BACKGROUND: It is commonly held that "a calorie is a calorie", i.e. that diets of equal caloric content will result in identical weight change independent of macronutrient composition, and appeal is frequently made to the laws of thermodynamics. We have previously shown that thermodynamics does not support such a view and that diets of different macronutrient content may be expected to induce different changes in body mass. Low carbohydrate diets in particular have claimed a "metabolic advantage" meaning more weight loss than in isocaloric diets of higher carbohydrate content. In this review, for pedagogic clarity, we reframe the theoretical discussion to directly link thermodynamic inefficiency to weight change. The problem in outline: Is metabolic advantage theoretically possible? If so, what biochemical mechanisms might plausibly explain it? Finally, what experimental evidence exists to determine whether it does or does not occur? RESULTS: Reduced thermodynamic efficiency will result in increased weight loss. The laws of thermodynamics are silent on the existence of variable thermodynamic efficiency in metabolic processes. Therefore such variability is permitted and can be related to differences in weight lost. The existence of variable efficiency and metabolic advantage is therefore an empiric question rather than a theoretical one, confirmed by many experimental isocaloric studies, pending a properly performed meta-analysis. Mechanisms are as yet unknown, but plausible mechanisms at the metabolic level are proposed. CONCLUSIONS: Variable thermodynamic efficiency due to dietary manipulation is permitted by physical laws, is supported by much experimental data, and may be reasonably explained by plausible mechanisms.

  20. Thermodynamic Constraints Improve Metabolic Networks.

    PubMed

    Krumholz, Elias W; Libourel, Igor G L

    2017-08-08

    In pursuit of establishing a realistic metabolic phenotypic space, the reversibility of reactions is thermodynamically constrained in modern metabolic networks. The reversibility constraints follow from heuristic thermodynamic poise approximations that take anticipated cellular metabolite concentration ranges into account. Because constraints reduce the feasible space, draft metabolic network reconstructions may need more extensive reconciliation, and a larger number of genes may become essential. Notwithstanding ubiquitous application, the effect of reversibility constraints on the predictive capabilities of metabolic networks has not been investigated in detail. Instead, work has focused on the implementation and validation of the thermodynamic poise calculation itself. With the advance of fast linear programming-based network reconciliation, the effects of reversibility constraints on network reconciliation and gene essentiality predictions have become feasible and are the subject of this study. Networks with thermodynamically informed reversibility constraints outperformed gene essentiality predictions compared to networks that were constrained with randomly shuffled constraints. Unconstrained networks predicted gene essentiality as accurately as thermodynamically constrained networks, but predicted substantially fewer essential genes. Networks that were reconciled with sequence similarity data and strongly enforced reversibility constraints outperformed all other networks. We conclude that metabolic network analysis confirmed the validity of the thermodynamic constraints, and that thermodynamic poise information is actionable during network reconciliation. Copyright © 2017 Biophysical Society. Published by Elsevier Inc. All rights reserved.

  1. Single-Patient Molecular Testing with NanoString nCounter Data Using a Reference-Based Strategy for Batch Effect Correction.

    PubMed

    Talhouk, Aline; Kommoss, Stefan; Mackenzie, Robertson; Cheung, Martin; Leung, Samuel; Chiu, Derek S; Kalloger, Steve E; Huntsman, David G; Chen, Stephanie; Intermaggio, Maria; Gronwald, Jacek; Chan, Fong C; Ramus, Susan J; Steidl, Christian; Scott, David W; Anglesio, Michael S

    2016-01-01

    A major weakness in many high-throughput genomic studies is the lack of consideration of a clinical environment where one patient at a time must be evaluated. We examined generalizable and platform-specific sources of variation from NanoString gene expression data on both ovarian cancer and Hodgkin lymphoma patients. A reference-based strategy, applicable to single-patient molecular testing is proposed for batch effect correction. The proposed protocol improved performance in an established Hodgkin lymphoma classifier, reducing batch-to-batch misclassification while retaining accuracy and precision. We suggest this strategy may facilitate development of NanoString and similar molecular assays by accelerating prospective validation and clinical uptake of relevant diagnostics.

  2. Active Batch Selection via Convex Relaxations with Guaranteed Solution Bounds.

    PubMed

    Chakraborty, Shayok; Balasubramanian, Vineeth; Sun, Qian; Panchanathan, Sethuraman; Ye, Jieping

    2015-10-01

    Active learning techniques have gained popularity to reduce human effort in labeling data instances for inducing a classifier. When faced with large amounts of unlabeled data, such algorithms automatically identify the exemplar instances for manual annotation. More recently, there have been attempts towards a batch mode form of active learning, where a batch of data points is simultaneously selected from an unlabeled set. In this paper, we propose two novel batch mode active learning (BMAL) algorithms: BatchRank and BatchRand. We first formulate the batch selection task as an NP-hard optimization problem; we then propose two convex relaxations, one based on linear programming and the other based on semi-definite programming to solve the batch selection problem. Finally, a deterministic bound is derived on the solution quality for the first relaxation and a probabilistic bound for the second. To the best of our knowledge, this is the first research effort to derive mathematical guarantees on the solution quality of the BMAL problem. Our extensive empirical studies on 15 binary, multi-class and multi-label challenging datasets corroborate that the proposed algorithms perform at par with the state-of-the-art techniques, deliver high quality solutions and are robust to real-world issues like label noise and class imbalance.

  3. FRIT DEVELOPMENT FOR SLUDGE BATCH 6

    SciTech Connect

    Fox, K.; Edwards, T.; Zamecnik, J.

    2010-05-13

    The Savannah River National Laboratory (SRNL) evaluated a large number of Sludge Batch 6 (SB6) composition projections to support frit optimization for SB6 vitrification at the Defense Waste Processing Facility (DWPF). The evaluations discussed in this report occurred over a period of about 4 months, and included about 40 composition projections, developed by both Savannah River Remediation (SRR) and SRNL. Paper study assessments were used to evaluate the sludge composition projections with arrays of potential frit compositions using the predictive models in the DWPF Product Composition Control System (PCCS). Both nominal sludge compositions and sludge compositions with anticipated compositional variation were considered. The model predictions were used to identify candidate frit compositions for each SB6 projection and to provide some guidance to SRR on washing and blending strategies for SB6 preparation. This report presents a chronological review of this process and summarizes the findings at each stage. Following initial feedback from this work, the number of washes in Tank 51 was reduced to increase the projected sodium concentration in SB6. Analyses of predicted frit performance before and after a potential decant of Tank 40 showed that the post-decant SB6 composition would be difficult to process with any frit composition and that this scenario should be avoided. Based on the most recent SB6 projections (February 2010 SB6 composition projections developed at SRNL using the measured SB6 qualification sample composition and the revised Tank Farm washing plan), Frit 418 appears to be viable for SB6 processing at a target waste loading of 36%. A Nominal Stage PCCS Measurement Acceptability Region (MAR) assessment gave projected operating windows of 25-41% waste loading, limited by predictions of nepheline crystallization. The projected operating window is reduced to 25-38% waste loading when anticipated compositional variation is considered, again limited by

  4. Groundwater uptake by woody vegetation in a semiarid oak savanna

    NASA Astrophysics Data System (ADS)

    Miller, Gretchen R.; Chen, Xingyuan; Rubin, Yoram; Ma, Siyan; Baldocchi, Dennis D.

    2010-10-01

    Groundwater can serve as an important resource for woody vegetation in semiarid landscapes, particularly when soil water is functionally depleted and unavailable to plants. This study examines the uptake of groundwater by deciduous blue oak trees (Quercus douglasii) in a California oak savanna. Here we present a suite of direct and indirect methods that demonstrate its occurrence and quantify its rates. The study site is underlain by a thin soil layer and fractured metavolcanic bedrock. Typical depth to groundwater is approximately 8 m. A variety of water storage and flux measurements were collected from 2005 to 2008, including groundwater levels, soil moisture contents, sap flows, and latent heat fluxes. During the dry season, groundwater uptake rates ranged from 4 to 25 mm month-1 and approximately 80% of total ET during June, July, and August came from groundwater. Leaf and soil water potentials supported these results, indicating that groundwater uptake was thermodynamically favorable over soil water uptake for key portions of the growing season. These findings strongly suggest that blue oaks should be considered obligate phreatophytes and that groundwater reserves provide a buffer to rapid changes in their hydroclimate, if these assets are not otherwise depleted by prolonged drought or human consumption. While groundwater uptake may provide for short-term protection, it should be viewed not as a mechanism for continued plant growth. It allows the woody vegetation to subsist during the summer but not to flourish.

  5. Actinide Thermodynamics at Elevated Temperatures

    SciTech Connect

    Friese, Judah I.; Rao, Linfeng; Xia, Yuanxian; Bachelor, Paula P.; Tian, Guoxin

    2007-11-16

    The postclosure chemical environment in the proposed Yucca Mountain repository is expected to experience elevated temperatures. Predicting migration of actinides is possible if sufficient, reliable thermodynamic data on hydrolysis and complexation are available for these temperatures. Data are scarce and scattered for 25 degrees C, and nonexistent for elevated temperatures. This collaborative project between LBNL and PNNL collects thermodynamic data at elevated temperatures on actinide complexes with inorganic ligands that may be present in Yucca Mountain. The ligands include hydroxide, fluoride, sulfate, phosphate and carbonate. Thermodynamic parameters of complexation, including stability constants, enthalpy, entropy and heat capacity of complexation, are measured with a variety of techniques including solvent extraction, potentiometry, spectrophotometry and calorimetry

  6. Computing Thermodynamic And Transport Properties

    NASA Technical Reports Server (NTRS)

    Mcbride, B.; Gordon, Sanford

    1993-01-01

    CET89 calculates compositions in chemical equilibrium and properties of mixtures of any chemical system for which thermodynamic data available. Provides following options: obtains chemical-equilibrium compositions and corresponding thermodynamic mixture properties for assigned thermodynamic states; calculates dilute-gas transport properties of complex chemical mixtures; obtains Chapman-Jouguet detonation properties for gaseous mixtures; calculates properties of incident and reflected shocks in terms of assigned velocities; and calculates theoretical performance of rocket for both equilibrium and frozen compositions during expansion. Rocket performance based on optional models of finite or infinite area combustor.

  7. Stochastic thermodynamics of information processing

    NASA Astrophysics Data System (ADS)

    Cardoso Barato, Andre

    2015-03-01

    We consider two recent advancements on theoretical aspects of thermodynamics of information processing. First we show that the theory of stochastic thermodynamics can be generalized to include information reservoirs. These reservoirs can be seen as a sequence of bits which has its Shannon entropy changed due to the interaction with the system. Second we discuss bipartite systems, which provide a convenient description of Maxwell's demon. Analyzing a special class of bipartite systems we show that they can be used to study cellular information processing, allowing for the definition of an entropic rate that quantifies how much a cell learns about a fluctuating external environment and that is bounded by the thermodynamic entropy production.

  8. Thermodynamic Metrics and Optimal Paths

    SciTech Connect

    Sivak, David; Crooks, Gavin

    2012-05-08

    A fundamental problem in modern thermodynamics is how a molecular-scale machine performs useful work, while operating away from thermal equilibrium without excessive dissipation. To this end, we derive a friction tensor that induces a Riemannian manifold on the space of thermodynamic states. Within the linear-response regime, this metric structure controls the dissipation of finite-time transformations, and bestows optimal protocols with many useful properties. We discuss the connection to the existing thermodynamic length formalism, and demonstrate the utility of this metric by solving for optimal control parameter protocols in a simple nonequilibrium model.

  9. The Thermodynamic Properties of Cubanite

    NASA Technical Reports Server (NTRS)

    Berger, E. L.; Lauretta, D. S.; Keller, L. P.

    2012-01-01

    CuFe2S3 exists in two polymorphs, a low-temperature orthorhombic form (cubanite) and a high-temperature cubic form (isocubanite). Cubanite has been identified in the CI-chondrite and Stardust collections. However, the thermodynamic properties of cubanite have neither been measured nor estimated. Our derivation of a thermodynamic model for cubanite allows constraints to be placed on the formation conditions. This data, along with the temperature constraint afforded by the crystal structure, can be used to assess the environments in which cubanite formation is (or is not) thermodynamically favored.

  10. Computing Thermodynamic And Transport Properties

    NASA Technical Reports Server (NTRS)

    Mcbride, B.; Gordon, Sanford

    1993-01-01

    CET89 calculates compositions in chemical equilibrium and properties of mixtures of any chemical system for which thermodynamic data available. Provides following options: obtains chemical-equilibrium compositions and corresponding thermodynamic mixture properties for assigned thermodynamic states; calculates dilute-gas transport properties of complex chemical mixtures; obtains Chapman-Jouguet detonation properties for gaseous mixtures; calculates properties of incident and reflected shocks in terms of assigned velocities; and calculates theoretical performance of rocket for both equilibrium and frozen compositions during expansion. Rocket performance based on optional models of finite or infinite area combustor.

  11. Identifying and mitigating batch effects in whole genome sequencing data.

    PubMed

    Tom, Jennifer A; Reeder, Jens; Forrest, William F; Graham, Robert R; Hunkapiller, Julie; Behrens, Timothy W; Bhangale, Tushar R

    2017-07-24

    Large sample sets of whole genome sequencing with deep coverage are being generated, however assembling datasets from different sources inevitably introduces batch effects. These batch effects are not well understood and can be due to changes in the sequencing protocol or bioinformatics tools used to process the data. No systematic algorithms or heuristics exist to detect and filter batch effects or remove associations impacted by batch effects in whole genome sequencing data. We describe key quality metrics, provide a freely available software package to compute them, and demonstrate that identification of batch effects is aided by principal components analysis of these metrics. To mitigate batch effects, we developed new site-specific filters that identified and removed variants that falsely associated with the phenotype due to batch effect. These include filtering based on: a haplotype based genotype correction, a differential genotype quality test, and removing sites with missing genotype rate greater than 30% after setting genotypes with quality scores less than 20 to missing. This method removed 96.1% of unconfirmed genome-wide significant SNP associations and 97.6% of unconfirmed genome-wide significant indel associations. We performed analyses to demonstrate that: 1) These filters impacted variants known to be disease associated as 2 out of 16 confirmed associations in an AMD candidate SNP analysis were filtered, representing a reduction in power of 12.5%, 2) In the absence of batch effects, these filters removed only a small proportion of variants across the genome (type I error rate of 3%), and 3) in an independent dataset, the method removed 90.2% of unconfirmed genome-wide SNP associations and 89.8% of unconfirmed genome-wide indel associations. Researchers currently do not have effective tools to identify and mitigate batch effects in whole genome sequencing data. We developed and validated methods and filters to address this deficiency.

  12. Radionuclide migration laboratory studies for validation of batch sorption data

    SciTech Connect

    Triay, I.R.; Mitchell, A.J.; Ott, M.A.

    1991-12-31

    Advective and diffusive migration experiments (within the Dynamic Transport Column Experiments and Diffusion Studies of the Yucca Mountain Site Characterization Project) involve utilizing crushed material, intact, and fractured tuff in order to test and improve (if necessary) transport models by experimentally observing the migration of sorbing and non-sorbing radionuclides on a laboratory scale. Performing a validation of the sorption data obtained with batch techniques (within the Batch Sorption Study) is an integral part of the mission of the Dynamic Transport Column Experiments and Diffusion Studies. In this paper the work scope of the radionuclide migration laboratory experiments (as they apply to validation of batch sorption data) is reviewed.

  13. Thermodynamical string fragmentation

    NASA Astrophysics Data System (ADS)

    Fischer, Nadine; Sjöstrand, Torbjörn

    2017-01-01

    The observation of heavy-ion-like behaviour in pp collisions at the LHC suggests that more physics mechanisms are at play than traditionally assumed. The introduction e.g. of quark-gluon plasma or colour rope formation can describe several of the observations, but as of yet there is no established paradigm. In this article we study a few possible modifications to the Pythia event generator, which describes a wealth of data but fails for a number of recent observations. Firstly, we present a new model for generating the transverse momentum of hadrons during the string fragmentation process, inspired by thermodynamics, where heavier hadrons naturally are suppressed in rate but obtain a higher average transverse momentum. Secondly, close-packing of strings is taken into account by making the temperature or string tension environment-dependent. Thirdly, a simple model for hadron rescattering is added. The effect of these modifications is studied, individually and taken together, and compared with data mainly from the LHC. While some improvements can be noted, it turns out to be nontrivial to obtain effects as big as required, and further work is called for.

  14. Thermodynamics of Terrestrial Evolution

    PubMed Central

    Kirkaldy, J. S.

    1965-01-01

    The causal element of biological evolution and development can be understood in terms of a potential function which is generalized from the variational principles of irreversible thermodynamics. This potential function is approximated by the rate of entropy production in a configuration space which admits of macroscopic excursions by fluctuation and regression as well as microscopic ones. Analogously to Onsager's dissipation function, the potential takes the form of a saddle surface in this configuration space. The path of evolution following from an initial high dissipation state within the fixed constraint provided by the invariant energy flux from the sun tends toward the stable saddle point by a series of spontaneous regressions which lower the entropy production rate and by an alternating series of spontaneous fluctuations which introduce new internal constraints and lead to a higher entropy production rate. The potential thus rationalizes the system's observed tendency toward “chemical imperialism” (high dissipation) while simultaneously accommodating the development of “dynamic efficiency” and complication (low dissipation). PMID:5884019

  15. Shear sensitivity of hybridoma cells in batch, fed-batch, and continuous cultures.

    PubMed

    Petersen, J F; McIntire, L V; Papoutsakis, E T

    1990-01-01

    Previously, we observed that CRL-8018 hybridoma cells were more sensitive to well-defined viscometric shear during the lag and stationary phases than during the exponential phase of batch cultures. Some potential hypotheses for explaining the increase in shear sensitivity are (1) nutrient limitations that result in a decrease in production of specific cellular components responsible for the mechanical strength of the cell, (2) nutrient limitations that lead to synchronization of the culture in a cell cycle phase that is more sensitive to shear, or (3) a link between cell growth and shear sensitivity, such that slowly growing cells are more sensitive to shear. Here, the duration of the exponential phase was increased with use of fed-batch, and the effect on shear sensitivity of the cultures was measured with a viscometric technique. Extension of exponential growth resulted in an increased period during which the cells were insensitive to shear. Additionally, the shear sensitivity of the cells was constant over a wide range of growth rates and metabolic yields in chemostat cultures. These observations suggest that as long as the cells are actively (exponentially) growing, their shear sensitivity does not depend on the growth rate or metabolic state of the cell as expressed by metabolic yields. Thus, hypothesis 3 above can be dismissed.

  16. The sequencing batch reactor as an excellent configuration to treat wastewater from the petrochemical industry.

    PubMed

    Caluwé, Michel; Daens, Dominique; Blust, Ronny; Geuens, Luc; Dries, Jan

    2017-02-01

    In the present study, the influence of a changing feeding pattern from continuous to pulse feeding on the characteristics of activated sludge was investigated with a wastewater from the petrochemical industry from the harbour of Antwerp. Continuous seed sludge, adapted to the industrial wastewater, was used to start up three laboratory-scale sequencing batch reactors. After an adaptation period from the shift to pulse feeding, the effect of an increasing organic loading rate (OLR) and volume exchange ratio (VER) were investigated one after another. Remarkable changes of the specific oxygen uptake rate (sOUR), microscopic structure, sludge volume index (SVI), SVI30/SVI5 ratio, and settling rate were observed during adaptation. sOUR increased two to five times and treatment time decreased 43.9% in 15 days. Stabilization of the SVI occurred after a period of 20 days and improved significantly from 300 mL·g(-1) to 80 mL·g(-1). Triplication of the OLR and VER had no negative influence on sludge settling and effluent quality. Adaptation time of the microorganisms to a new feeding pattern, OLR and VER was relatively short and sludge characteristics related to aerobic granular sludge were obtained. This study indicates significant potential of the batch activated sludge system for the treatment of this industrial petrochemical wastewater.

  17. Electrooptical monitoring of cell polarizability and cell size in aerobic Escherichia coli batch cultivations.

    PubMed

    Junne, Stefan; Nicolas Cruz-Bournazou, M; Angersbach, Alexander; Götz, Peter

    2010-09-01

    The time-dependent development of cell polarizability and length in Escherichia coli batch fermentations were observed at-line with electrooptical measurements. While using a measurement system with fully automated sample preparation, the development of these properties can be observed with a comparable high frequency (six measurements per hour). The polarizability as well as the mean cell length both increase soon after inoculation and then decline from the growth phase on until the stationary phase is reached. Based on the dynamic behavior of polarizability, the growth phase can be divided into four distinct stages. Changes in the cultivation temperature or the pre-cultivation conditions lead to alterations in the development of the polarizability and mean cell length. Based on the frequency disperse of polarizability measured at four different frequencies from 210 to 2,100 kHz, a prediction model is established that is based on the relation of the polarizability to the metabolic activity. Applying multi-linear partial least squares methods (N-PLS), the model is able to predict the specific acetate synthesis and uptake with a root mean square error of prediction of 0.19 (6% of the mean). The method represents a tool for characterization of different stages with respect to microbial metabolic activity and the energy balance during batch cultivations.

  18. Fed-Batch Production of Bacterial Ghosts Using Dielectric Spectroscopy for Dynamic Process Control

    PubMed Central

    Meitz, Andrea; Sagmeister, Patrick; Lubitz, Werner; Herwig, Christoph; Langemann, Timo

    2016-01-01

    The Bacterial Ghost (BG) platform technology evolved from a microbiological expression system incorporating the ϕX174 lysis gene E. E-lysis generates empty but structurally intact cell envelopes (BGs) from Gram-negative bacteria which have been suggested as candidate vaccines, immunotherapeutic agents or drug delivery vehicles. E-lysis is a highly dynamic and complex biological process that puts exceptional demands towards process understanding and control. The development of a both economic and robust fed-batch production process for BGs required a toolset capable of dealing with rapidly changing concentrations of viable biomass during the E-lysis phase. This challenge was addressed using a transfer function combining dielectric spectroscopy and soft-sensor based biomass estimation for monitoring the rapid decline of viable biomass during the E-lysis phase. The transfer function was implemented to a feed-controller, which followed the permittivity signal closely and was capable of maintaining a constant specific substrate uptake rate during lysis phase. With the described toolset, we were able to increase the yield of BG production processes by a factor of 8–10 when compared to currently used batch procedures reaching lysis efficiencies >98%. This provides elevated potentials for commercial application of the Bacterial Ghost platform technology. PMID:27681912

  19. Program calculation of thermodynamic properties

    NASA Astrophysics Data System (ADS)

    Gill, Walter; Filho, Fernando Fachini; Ribeirodeoliveira, Ronaldo

    1986-12-01

    The determination of the thermodynamic properties are examined through the basic equations such as: state equation (Beattie-Bridgeman Form), saturation pressure equation, specific heat constant pressure or constant volume equation, and specific volume or density of liquid equation.

  20. Thermodynamic efficiency of solar concentrators.

    PubMed

    Shatz, Narkis; Bortz, John; Winston, Roland

    2010-04-26

    The optical thermodynamic efficiency is a comprehensive metric that takes into account all loss mechanisms associated with transferring flux from the source to the target phase space, which may include losses due to inadequate design, non-ideal materials, fabrication errors, and less than maximal concentration. We discuss consequences of Fermat's principle of geometrical optics and review étendue dilution and optical loss mechanisms associated with nonimaging concentrators. We develop an expression for the optical thermodynamic efficiency which combines the first and second laws of thermodynamics. As such, this metric is a gold standard for evaluating the performance of nonimaging concentrators. We provide examples illustrating the use of this new metric for concentrating photovoltaic systems for solar power applications, and in particular show how skewness mismatch limits the attainable optical thermodynamic efficiency.

  1. Thermodynamic black di-rings

    SciTech Connect

    Iguchi, Hideo; Mishima, Takashi

    2010-10-15

    Previously the five dimensional S{sup 1}-rotating black rings have been superposed in a concentric way by some solitonic methods, and regular systems of two S{sup 1}-rotating black rings were constructed by the authors and then Evslin and Krishnan (we called these solutions 'black di-rings'). In this place we show some characteristics of the solutions of five dimensional black di-rings, especially in thermodynamic equilibrium. After the summary of the di-ring expressions and their physical quantities, first we comment on the equivalence of the two different solution sets of the black di-rings. Then the existence of thermodynamic black di-rings is shown, in which both isothermality and isorotation between the inner black ring and the outer black ring are realized. We also give detailed analysis of peculiar properties of the thermodynamic black di-ring including discussion about a certain kind of thermodynamic stability (instability) of the system.

  2. Thermodynamic limit for isokinetic thermostats

    NASA Astrophysics Data System (ADS)

    Gallavotti, G.; Presutti, E.

    2010-05-01

    Thermostat models in space dimension d =1,2,3 for nonequilibrium statistical mechanics are considered and it is shown that, in the thermodynamic limit, the motions of frictionless thermostats and isokinetic thermostats coincide.

  3. Review of selenium thermodynamic data

    NASA Astrophysics Data System (ADS)

    Cowan, C. E.

    1988-02-01

    This report assesses the accuracy and completeness of available thermodynamic data on selenium. A review of experimental methods from published literature on selenium thermodynamic data focused on chemical reactions responsible for the formation of both aqueous complexes and solid phases of selenate, selenite, and selenide. The reviewer selected best data values, based on the methods used for estimating thermodynamic data. After inclusion of these values into the MINTEQ model, a validation study evaluated model performance for selenite and selenide solid phases. Lack of selenate data precluded model validation for this compound. The review furnished data on 22 aqueous complexes of selenite, 15 of selenide, and 17 of selenate, as well as 21 solid phases of selenite, 20 of selenide and 8 of selenate. These data proved inadequate to represent the formation of species in the solid phase. The validation study gave inconclusive predictions of selenite and selenide solubility and could not be used to assess the accuracy or completeness of the thermodynamic data.

  4. Batch-to-batch uniformity of bacterial community succession and flavor formation in the fermentation of Zhenjiang aromatic vinegar.

    PubMed

    Wang, Zong-Min; Lu, Zhen-Ming; Yu, Yong-Jian; Li, Guo-Quan; Shi, Jin-Song; Xu, Zheng-Hong

    2015-09-01

    Solid-state fermentation of traditional Chinese vinegar is a mixed-culture refreshment process that proceeds for many centuries without spoilage. Here, we investigated bacterial community succession and flavor formation in three batches of Zhenjiang aromatic vinegar using pyrosequencing and metabolomics approaches. Temporal patterns of bacterial succession in the Pei (solid-state vinegar culture) showed no significant difference (P > 0.05) among three batches of fermentation. In all the batches investigated, the average number of community operational taxonomic units (OTUs) decreased dramatically from 119 ± 11 on day 1 to 48 ± 16 on day 3, and then maintained in the range of 61 ± 9 from day 5 to the end of fermentation. We confirmed that, within a batch of fermentation process, the patterns of bacterial diversity between the starter (took from the last batch of vinegar culture on day 7) and the Pei on day 7 were similar (90%). The relative abundance dynamics of two dominant members, Lactobacillus and Acetobacter, showed high correlation (coefficient as 0.90 and 0.98 respectively) among different batches. Furthermore, statistical analysis revealed dynamics of 16 main flavor metabolites were stable among different batches. The findings validate the batch-to-batch uniformity of bacterial community succession and flavor formation accounts for the quality of Zhenjiang aromatic vinegar. Based on our understanding, this is the first study helps to explain the rationality of age-old artistry from a scientific perspective. Copyright © 2015 Elsevier Ltd. All rights reserved.

  5. Thermodynamics of Asymptotically Conical Geometries.

    PubMed

    Cvetič, Mirjam; Gibbons, Gary W; Saleem, Zain H

    2015-06-12

    We study the thermodynamical properties of a class of asymptotically conical geometries known as "subtracted geometries." We derive the mass and angular momentum from the regulated Komar integral and the Hawking-Horowitz prescription and show that they are equivalent. By deriving the asymptotic charges, we show that the Smarr formula and the first law of thermodynamics hold. We also propose an analog of Christodulou-Ruffini inequality. The analysis can be generalized to other asymptotically conical geometries.

  6. Thermodynamic and relativistic uncertainty relations

    NASA Astrophysics Data System (ADS)

    Artamonov, A. A.; Plotnikov, E. M.

    2017-01-01

    Thermodynamic uncertainty relation (UR) was verified experimentally. The experiments have shown the validity of the quantum analogue of the zeroth law of stochastic thermodynamics in the form of the saturated Schrödinger UR. We have also proposed a new type of UR for the relativistic mechanics. These relations allow us to consider macroscopic phenomena within the limits of the ratio of the uncertainty relations for different physical quantities.

  7. Inositol uptake in rat aorta

    SciTech Connect

    Rapoport, R.M.; Van Gorp, C.; Chang, Ki-Churl )

    1990-01-01

    {sup 3}H-inositol uptake into deendothelialized aorta was linear for at least 2 h and was composed of both a saturable, Na{sup +}-dependent, and a nonsaturable, Na{sup +}-independent component. The Na{sup +}-dependent component of inositol uptake had a K{sub m} of 50 {mu}M and a V{sub max} of 289 pmol/mg prot/h. Exposure to LiCl, ouabain, or Ca{sup 2+} - free Krebs-Ringer bicarbonate solution inhibited uptake. Metabolic poisoning with dinitrophenol, as well as incubation with phloretin, an inhibitor of carrier-mediated hexose transport, also inhibited uptake. Exposure to norepinephrine decreased inositol uptake, while phorbol myristate acetate was without effect. Isobutylmethylxanthine significantly increased inositol uptake, while the increased uptake due to dibutyryl cyclic AMP and forskolin were not statistically significant. Sodium nitroprusside, and activator of guanylate cyclase, and 8-bromo cyclic GMP, were without effect on uptake, as was methylene blue, an inhibitor of guanylate cyclase. Inositol uptake into the aorta was increased when the endothelium was allowed to remain intact, although this effect was likely due to uptake in both the endothelial and smooth muscle cells.

  8. 11. GASFIRED CRUCIBLE FURNACES WERE USED TO MELT SMALL, BATCH ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    11. GAS-FIRED CRUCIBLE FURNACES WERE USED TO MELT SMALL, BATCH QUANTITIES OF BRONZE IN STOCKHAM'S BRASS FOUNDRY FOR THE PRODUCTION OF BRONZE VALVES, CA. 1950. - Stockham Pipe & Fittings Company, 4000 Tenth Avenue North, Birmingham, Jefferson County, AL

  9. Removal of batch effects using distribution-matching residual networks.

    PubMed

    Shaham, Uri; Stanton, Kelly P; Zhao, Jun; Li, Huamin; Raddassi, Khadir; Montgomery, Ruth; Kluger, Yuval

    2017-08-15

    Sources of variability in experimentally derived data include measurement error in addition to the physical phenomena of interest. This measurement error is a combination of systematic components, originating from the measuring instrument and random measurement errors. Several novel biological technologies, such as mass cytometry and single-cell RNA-seq (scRNA-seq), are plagued with systematic errors that may severely affect statistical analysis if the data are not properly calibrated. We propose a novel deep learning approach for removing systematic batch effects. Our method is based on a residual neural network, trained to minimize the Maximum Mean Discrepancy between the multivariate distributions of two replicates, measured in different batches. We apply our method to mass cytometry and scRNA-seq datasets, and demonstrate that it effectively attenuates batch effects. our codes and data are publicly available at https://github.com/ushaham/BatchEffectRemoval.git. yuval.kluger@yale.edu. Supplementary data are available at Bioinformatics online.

  10. Batching an ultrasonic pig in a natural gas liquids pipeline

    SciTech Connect

    Wilder, J.R. Jr.

    1997-05-01

    This paper was developed as a result of Pipetronix batching an ultrasonic pig in an active Natural Gas Liquids pipeline for the first time in the US. This project was unique in that the gas cryogenic gas plant, producing the Natural Gas Liquids, was still running without the aid storage. Pipetronix determined the Natural Gas Liquid stream was too rich in Ethane for their ultrasonic pig to operate. Therefore, another medium must be found to batch the ultrasonic pig. The medium was Natural Gasoline. This paper will allow other companies to use the information learned through this experience. Two of the lessons learned are: (1) pumping of the batching medium and (2) ramping the flow rate. There were lessons learned during the retrieval of the ultrasonic pig concerning the handling and disposal of the batching medium.

  11. 12. Interior view of cement and aggregate batch plant showing ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    12. Interior view of cement and aggregate batch plant showing storage bins. Photographer unknown, c. 1926. Source: Ralph Pleasant. - Waddell Dam, On Agua Fria River, 35 miles northwest of Phoenix, Phoenix, Maricopa County, AZ

  12. 1. EXTERIOR VIEW LOOKING NORTHWEST AT BATCH FURNACE BUILDING, 22' ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    1. EXTERIOR VIEW LOOKING NORTHWEST AT BATCH FURNACE BUILDING, 22' BAR MILL BUILDING, AND 22 BAR MILL MOTOR ROOM. - U.S. Steel Duquesne Works, 22-Inch Bar Mill, Along Monongahela River, Duquesne, Allegheny County, PA

  13. 19. Main deck just forward of fish batch, portion of ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    19. Main deck just forward of fish batch, portion of fish hatch cover has been opened to show the ventilation grate below. - Schooner "Lettie G. Howard", South Street Seaport Museum, New York County, NY

  14. Glycerol production by fermentation: a fed-batch approach

    SciTech Connect

    Vijaikishore, P.; Karanth, N.G.

    1987-01-01

    In this investigation the bioconversion of glycerol from glucose was studied in a laboratory fermentor using an alkaline medium with a fed batch mode of carbon source addition yielding 30% glycerol concentration in the final broth. (Refs. 9).

  15. GENERAL VIEW OF WAREHOUSE ADJACENT TO BATCH PLANT, LOOKING NORTHWEST ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    GENERAL VIEW OF WAREHOUSE ADJACENT TO BATCH PLANT, LOOKING NORTHWEST FROM DREY STREET PLANT, INSIDE WELCOME WALL - Chambers Window Glass Company, Warehouse & Shipping, North of Drey (Nineteenth) Street, West of Constitution Boulevard, Arnold, Westmoreland County, PA

  16. Groundwater arsenic remediation using zerovalent iron: Batch and column tests

    EPA Science Inventory

    Recently, increasing efforts have been made to explore the applicability and limitations of zerovalent iron (Fe0) for the treatment of arsenicbearing groundwater and wastewater. The experimental batch and column tests have demonstrated that arsenate and arsenite are removed effec...

  17. Groundwater arsenic remediation using zerovalent iron: Batch and column tests

    EPA Science Inventory

    Recently, increasing efforts have been made to explore the applicability and limitations of zerovalent iron (Fe0) for the treatment of arsenicbearing groundwater and wastewater. The experimental batch and column tests have demonstrated that arsenate and arsenite are removed effec...

  18. 8. VIEW OF BATCHING HOPPER ON SERVICE FLOOR OF FURNACE ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    8. VIEW OF BATCHING HOPPER ON SERVICE FLOOR OF FURNACE AISLE IN BOP SHOP LOOKING SOUTH. - U.S. Steel Duquesne Works, Basic Oxygen Steelmaking Plant, Along Monongahela River, Duquesne, Allegheny County, PA

  19. 6. FLUX WEIGH HOPPERS AND SCALES ON THE BATCHING FLOOR ...

    Library of Congress Historic Buildings Survey, Historic Engineering Record, Historic Landscapes Survey

    6. FLUX WEIGH HOPPERS AND SCALES ON THE BATCHING FLOOR OF THE FURNACE AISLE IN THE BOP SHOP LOOKING SOUTHWEST. - U.S. Steel Duquesne Works, Basic Oxygen Steelmaking Plant, Along Monongahela River, Duquesne, Allegheny County, PA

  20. Simulating Metabolism with Statistical Thermodynamics

    SciTech Connect

    Cannon, William R.

    2014-08-04

    Kinetic probabilities of state are usually based on empirical measurements, while thermodynamic state probabilities are based on the assumption that chemical species are distributed to according to a multinomial Boltzmann distribution. While the use of kinetic simulations is desirable, obtaining all the mass action rate constants necessary to carry out kinetic simulations is an overwhelming challenge. Here, the kinetic probability of a state is compared in depth to the thermodynamic probability of a state for sets of coupled reactions. The entropic and energetic contributions to thermodynamic stable states are described and compared to entropic and energetic contributions of kinetic steady states. It is shown that many kinetic steady states are possible for a system of coupled reactions depending on the relative values of the mass action rate constants, but only one of these corresponds to a thermodynamically stable state. Furthermore, the thermodynamic stable state corresponds to a minimum free energy state. The use of thermodynamic simulations of state to model metabolic processes is attractive, since metabolite levels and energy requirements of pathways can be evaluated using only standard free energies of formation as parameters in the probability distribution. In chemical physics, the assumption of a Boltzmann distribution is the basis of transition state theory for modeling transitory species. Application to stable species, such as those found in metabolic processes, is a less severe assumption that would enable the use of simulations of state.

  1. Modeling and simulation of fed-batch protein refolding process.

    PubMed

    Dong, Xiao-Yan; Shi, Guang-Quan; Li, Wei; Sun, Yan

    2004-01-01

    The simplified kinetic model that assumes competition between first-order folding and third-order aggregation was used to model the fed-batch refolding of denatured-reduced lysozyme. It was found that the model was able to describe the process at limited concentration ranges, i.e., 1-2 and 5-7 mg mL(-)(1), respectively, at extensive guanidinium chloride (GdmCl) concentrations and controlled concentrations of oxidizing and reducing agents. The folding or aggregation rate constant was different at the two protein concentration ranges and strongly dependent on the denaturant concentration. As a result, both rate constants at the two concentration ranges were expressed as functions of GdmCl concentration. The rate constants determined by fed-batch experiments could be employed for the prediction of the fed-batch process but were not able to be extended to a batch refolding by direct dilution. Computer simulations show that the denaturant concentration and fed-batch flow rate are important factors influencing the refolding yield. Prolonged fed-batch time is beneficial to keep the transient intermediate concentration at a low level and to increase the yield of correctly folded protein. This is of importance when the denaturant concentration in refolding buffer solution is low. Thus, at a low denaturant concentration, fed-batch time should be sufficiently long, whereas at an appropriately high GdmCl concentration, a short fed-batch time or a high feed rate of the denatured protein is effective to give a high refolding yield.

  2. Optimal control of a fed-batch fermentation

    SciTech Connect

    Dekkers, R.M.

    1984-01-01

    The common cultivation of bakers' yeast is an aerobic fed-batch fermentation under sugar-limited growth. The ultimate objective of on-line computer control is to optimize the process through maximizing the productivity of biomass formation while minimizing the consumption of raw materials for the product. Results obtained on the optimal control of a fed-batch fermentation are given. The aspects to be considered are instrumentation, state estimation, optimization and process control.

  3. [Long-Term Inhibition of FNA on Aerobic Phosphate Uptake and Variation of Phosphorus Uptake Properties of the Sludge].

    PubMed

    Ma, Juan; Li, Lu; Yu, Xiao-jun; Sun, Lei-jun; Sun, Hong-wei; Chen, Yong-zhi

    2015-10-01

    An alternating anaerobic/oxic ( An/O) sequencing batch reactor (SBR) was employed to investigate the long-term inhibitory effect of free nitrous acid (FNA) on aerobic phosphorus uptake performance and variation of phosphorus uptake properties of the sludge by adding nitrite. The reactor was started up under the condition of 21-23 degrees C. The results showed that FNA had no impact on phosphate release and uptake capacities of the sludge. However, the specific phosphate release/uptake rates was found to be higher. As FNA concentration (measure by HNO2-N) was lower than 0.53 x 10(-3) mg x L(-1), phosphorus removal efficiency of the system was higher than 96.9%. When the FNA concentration was increased to 0.99 x 10(-3) mg x L(-1), 1.46 x 10(-3) mg x L(-1) and 1.94 x 10(-3) mg x L(-1), the phosphorus removal performance deteriorated rapidly. The phosphorus removal efficiency was recovered to 64.42%, 67.33% and 44.14% after 50, 12 and 30 days, respectively, which implied the deterioration of phosphorus removal performance caused by FNA inhibition could be recovered and long-term acclimation could shorten the recovery process. Notably, increasing nitrite consumption appeared during aerobic phase with the concentration of FNA below 1.46 x 10(-3) mg x L(-1). It was also observed that the phosphorus uptake properties of the sludge varied after long-term inhibition. Nitrate and nitrite type anoxic phosphorus uptake capacity was increased by 3.35 and 3.86 times, respectively, suggesting long-term dosing FNA may facilitate the denitrifying of polyphosphate in organisms utilizing nitrite as electron acceptor. Moreover, long-term acclimation favored sludge settling.

  4. Thermodynamics of firms' growth

    PubMed Central

    Zambrano, Eduardo; Hernando, Alberto; Hernando, Ricardo; Plastino, Angelo

    2015-01-01

    The distribution of firms' growth and firms' sizes is a topic under intense scrutiny. In this paper, we show that a thermodynamic model based on the maximum entropy principle, with dynamical prior information, can be constructed that adequately describes the dynamics and distribution of firms' growth. Our theoretical framework is tested against a comprehensive database of Spanish firms, which covers, to a very large extent, Spain's economic activity, with a total of 1 155 142 firms evolving along a full decade. We show that the empirical exponent of Pareto's law, a rule often observed in the rank distribution of large-size firms, is explained by the capacity of economic system for creating/destroying firms, and that can be used to measure the health of a capitalist-based economy. Indeed, our model predicts that when the exponent is larger than 1, creation of firms is favoured; when it is smaller than 1, destruction of firms is favoured instead; and when it equals 1 (matching Zipf's law), the system is in a full macroeconomic equilibrium, entailing ‘free’ creation and/or destruction of firms. For medium and smaller firm sizes, the dynamical regime changes, the whole distribution can no longer be fitted to a single simple analytical form and numerical prediction is required. Our model constitutes the basis for a full predictive framework regarding the economic evolution of an ensemble of firms. Such a structure can be potentially used to develop simulations and test hypothetical scenarios, such as economic crisis or the response to specific policy measures. PMID:26510828

  5. [Characteristic of Particulate Emissions from Concrete Batching in Beijing].

    PubMed

    Xue, Yi-feng; Zhou, Zhen; Zhong, Lian-hong; Yan, Jing; Qu, Song; Huang, Yu-hu; Tian, He- zhong; Pan, Tao

    2016-01-15

    With the economic development and population growth in Beijing, there is a strong need for construction and housing, which leads to the increase of the construction areas. Meanwhile, as a local provided material, the production of concrete has been raised. In the process of concrete production by concrete batching, there are numerous particulates emitted, which have large effect on the atmospheric environment, however, systematic study about the tempo-spatial characteristics of pollutant emission from concrete batching is still rare. In this study, we estimated the emission of particulates from concrete batching from 1991 to 2012 using emission factor method, analyzed the tempo-spatial characteristics of pollutant emission, established the uncertainty range by adopting Monte-Carlo method, and predicted the future emission in 2020 based on the relative environmental and economical policies. The results showed that: (1) the emissions of particulates from concrete batching showed a trend of "first increase and then decrease", reaching the maximum in 2005, and then decreased due to stricter emission standard and enhanced environmental management. (2) according to spatial distribution, the emission of particulates from concrete batch mainly concentrated in the urban area with more human activities, and the area between the fifth ring and the sixth ring contributed the most. (3) through scenarios analysis, for further reducing the emission from concrete batching in 2020, more stricter standard for green production as well as powerful supervision is needed.

  6. OPLS in batch monitoring - Opens up new opportunities.

    PubMed

    Souihi, Nabil; Lindegren, Anders; Eriksson, Lennart; Trygg, Johan

    2015-02-01

    In batch statistical process control (BSPC), data from a number of "good" batches are used to model the evolution (trajectory) of the process and they also define model control limits, against which new batches may be compared. The benchmark methods used in BSPC include partial least squares (PLS) and principal component analysis (PCA). In this paper, we have used orthogonal projections to latent structures (OPLS) in BSPC and compared the results with PLS and PCA. The experimental study used was a batch hydrogenation reaction of nitrobenzene to aniline characterized by both UV spectroscopy and process data. The key idea is that OPLS is able to separate the variation in data that is correlated to the process evolution (also known as 'batch maturity index') from the variation that is uncorrelated to process evolution. This separation of different types of variations can generate different batch trajectories and hence lead to different established model control limits to detect process deviations. The results demonstrate that OPLS was able to detect all process deviations and provided a good process understanding of the root causes for these deviations. PCA and PLS on the other hand were shown to provide different interpretations for several of these process deviations, or in some cases they were unable to detect actual process deviations. Hence, the use of OPLS in BSPC can lead to better fault detection and root cause analysis as compared to existing benchmark methods and may therefore be used to complement the existing toolbox.

  7. Fed-batch versus batch cultures of Yarrowia lipolytica for γ-decalactone production from methyl ricinoleate.

    PubMed

    Gomes, Nelma; Teixeira, José A; Belo, Isabel

    2012-04-01

    Constant medium feeding rate and intermittent fed-batch fermentation strategies were investigated aiming to increase the yields of γ-decalactone production by Yarrowia lipolytica, using methyl ricinoleate as substrate and ricinoleic acid source. The accumulation of another compound, 3-hydroxy-γ-decalactone, was also analyzed since it derives from the direct precursor of γ-decalactone thereby providing information about the enzymatic activities of the pathway. Both strategies were compared with the traditional batch mode in terms of overall productivity and yield in respect to the substrate. Although the productivity of γ-decalactone was considerably higher in the batch mode (168 mg l(-1) h(-1)), substrate conversion to lactone (73 mg γ-decalactone g(-1)) was greater in the intermittent fed-batch giving 6.8 g γ-decalactone l(-1). This last strategy therefore has potential for γ-decalactone production at an industrial level.

  8. Online batch scheduling of equal-length jobs on two identical batch machines to maximise the number of early jobs

    NASA Astrophysics Data System (ADS)

    Li, Wenjie; Li, Shisheng

    2015-03-01

    We study the online batch scheduling of equal-length jobs on two identical batch machines. Each batch machine can process up to b jobs simultaneously as a batch (where b is called the capacity of the machines). The goal is to determine a schedule that maximises the (weighted) number of early jobs. For the non-preemptive model, we first present an upper bound that depends on the machine capacity b, and then we provide a greedy online algorithm with a competitive ratio of 1/(b + 1). For the preemption-restart model with b = ∞, we first show that no online algorithm has a competitive ratio greater than 0.595, and then we design an online algorithm with a competitive ratio of ?.

  9. Collaborative study to establish human immunoglobulin BRP batch 3 and human immunoglobulin (molecular size) BRP batch 1.

    PubMed

    Sandberg, E; Daas, A; Behr-Gross, M-E

    2006-11-01

    A study was carried out by the European Directorate for the Quality of Medicines (EDQM) as part of the joint Biological Standardisation Programme of the Council of Europe and the European Commission with the aim to establish replacement batches of the European Pharmacopoeia (Ph. Eur.) human immunoglobulin Biological Reference Preparation (BRP) batch 2. Twenty-eight laboratories participated in this study. The suitability of the candidate reference preparations to serve as working references in the tests for distribution of the molecular size, anticomplementary activity and Fc function, in accordance with the specifications of the Ph. Eur. monographs Human normal immunoglobulin for intravenous administration (0918), Human normal immunoglobulin (0338) and Anti-T lymphocyte immunoglobulin for human use, animal (1928) was demonstrated. The candidates were therefore established as human immunoglobulin BRP batch 3 and Human immunoglobulin (molecular size) BRP batch 1. The prescribed use of the latter BRP is limited to the test for distribution of molecular size.

  10. Thermodynamics of imidacloprid sorption in Croatian soils

    NASA Astrophysics Data System (ADS)

    Milin, Čedomila; Broznic, Dalibor

    2015-04-01

    Neonicotinoids are increasingly replacing the organophosphate and methylcarbamate acetylcholinesterase inhibitors which are losing their effectiveness because of selection for resistant pest populations. Imidacloprid is the most important neonicotinoid with low soil persistence, high insecticidal potency and relatively low mammalian toxicity. In Croatia, imidacloprid is most commonly used in olive growing areas, including Istria and Kvarner islands, as an effective means of olive fruit fly infestation control. Sorption-desorption behavior of imidacloprid in six soils collected from five coastal regions in Croatia at 20, 30 and 40°C was investigated using batch equilibrium technique. Isothermal data were applied to Freundlich, Langmuir and Temkin equation, and the thermodynamic parameters ΔH°, ΔG°, ΔS° were calculated. The sorption isotherm curves were of non-linear and may be classified as L-type suggesting a relatively high sorption capacity for imidacloprid. Our results showed that the KFsor values decreased for all the tested soils as the temperature increases, indicating that the temperature strongly influence the sorption. Values of ΔG° were negative (-4.65 to -2.00 kJ/mol) indicating that at all experimental temperatures the interactions of imidacloprid with soils were spontaneous process. The negative and small ΔH° values (-19.79 to -8.89 kJ/mol) were in the range of weak forces, such as H-bonds, consistent with interactions and par¬titioning of the imidacloprid molecules into soil organic matter. The ΔS° values followed the range of -57.12 to -14.51 J/molK, suggesting that imidacloprid molecules lose entropy during transition from the solution phase to soil surface. It was found that imidacloprid desorption from soil was concentration and temperature dependent, i.e. at lower imidacloprid concentrations and temperature, lower desorption percentage occurred. Desorption studies revealed that hysteretic behavior under different temperature

  11. Batch and High Cell Density Fed-Batch Culture Productions of an Organophosphorus Hydrolase

    DTIC Science & Technology

    2002-01-01

    0.02 g H3BO3, 0.01 g NaMoO4@ 2H2O , and 0.01 g CuSO4 . Fed-Batch Fermentations were carried out in the same Bio-Flow 3000 unit fitted with 10 L...per L): 3.0 g nitrilotriacetic acid, 6.0 MgSO4@7H2O, 1.0 g NaCl, 1.0 g MnSO4@H2O, 0.5 g FeSO4@7H20, 0.1 CaCl2@ 2H2O , 0.1 CoCl2@6H2O, 0.1 g ZnSO4@7H2O

  12. A high-fidelity batch simulation environment for integrated batch and piloted air combat simulation analysis

    NASA Technical Reports Server (NTRS)

    Goodrich, Kenneth H.; Mcmanus, John W.; Chappell, Alan R.

    1992-01-01

    A batch air combat simulation environment known as the Tactical Maneuvering Simulator (TMS) is presented. The TMS serves as a tool for developing and evaluating tactical maneuvering logics and to evaluate the tactical implications of perturbations to aircraft performance or supporting systems. The TMS is capable of simulating air combat between any number of engagement participants, with practical limits imposed by computer memory and processing power. Aircraft are modeled using equations of motion, control laws, aerodynamics and propulsive characteristics, and databases representative of a modern high-performance aircraft with and without thrust-vectoring capability are included. A Tactical Autopilot is implemented in the aircraft simulation model to convert guidance commands issued by computerized maneuvering logics in the form of desired angle-of-attack and wind axis-bank angle into inputs to the inner-loop control augmentation system of the aircraft.

  13. SLUDGE BATCH 7B GLASS VARIABILITY STUDY

    SciTech Connect

    Johnson, F.; Edwards, T.

    2011-10-25

    The Defense Waste Processing Facility (DWPF) is preparing to initiate processing Sludge Batch 7b (SB7b). In support of the upcoming processing, the Savannah River National Laboratory (SRNL) provided a recommendation to utilize Frits 418 with a 6% Na{sub 2}O addition (26 wt% Na{sub 2}O in sludge) and 702 with a 4% Na{sub 2}O addition (24 wt% Na{sub 2}O in sludge) to process SB7b. This recommendation was based on assessments of the compositional projections for SB7b available at the time from the Savannah River Remediation (SRR). To support qualification of SB7b, SRNL executed a variability study to assess the applicability of the current durability models for SB7b. The durability models were assessed over the expected composition range of SB7b, including potential caustic additions, combined with Frits 702 and 418 over a 32-40% waste loading (WL) range. Thirty four glasses were selected based on Frits 418 and 702 coupled with the sludge projections with an additional 4-6% Na{sub 2}O to reflect the potential caustic addition. Six of these glasses, based on average nominal sludge compositions including the appropriate caustic addition, were developed for both Frit 418 and Frit 702 at 32, 36 and 40% WL to provide coverage in the center of the anticipated SB7b glass region. All glasses were fabricated and characterized using chemical composition analysis, X-ray diffraction (XRD) and the Product Consistency Test (PCT). To comply with the DWPF Glass Product Control Program, a total of thirty four glasses were fabricated to assess the applicability of the current DWPF PCCS durability models. Based on the measured PCT response, all of the glasses were acceptable with respect to the Environmental Assessment (EA) benchmark glass regardless of thermal history. The NL[B] values of the SB7b variability study glasses were less than 1.99 g/L as compared to 16.695 g/L for EA. A small number of the D-optimally selected 'outer layer' extreme vertices (EV) glasses were not predictable

  14. SLUDGE BATCH VARIABILITY STUDY WITH FRIT 418

    SciTech Connect

    Johnson, F.; Edwards, T.

    2010-11-29

    The Defense Waste Processing Facility (DWPF) initiated processing Sludge Batch 6 (SB6) in the summer of 2010. In support of processing, the Savannah River National Laboratory (SRNL) provided a recommendation to utilize Frit 418 to process SB6. This recommendation was based on assessments of the compositional projections for SB6 available at the time from the Liquid Waste Organization (LWO) and SRNL (using a model-based approach). To support qualification of SB6, SRNL executed a variability study to assess the applicability of the current durability models for SB6. The durability models were assessed over the expected Frit 418-SB6 composition range. Seventeen glasses were selected for the variability study based on the sludge projections used in the frit recommendation. Five of the glasses are based on the centroid of the compositional region, spanning a waste loading (WL) range of 32 to 40%. The remaining twelve glasses are extreme vertices (EVs) of the sludge region of interest for SB6 combined with Frit 418 and are all at 36% WL. These glasses were fabricated and characterized using chemical composition analysis, X-ray diffraction (XRD) and the Product Consistency Test (PCT). After initiating the SB6 variability study, the measured composition of the SB6 Tank 51 qualification glass produced at the SRNL Shielded Cells Facility indicated that thorium was present in the glass at an appreciable concentration (1.03 wt%), which made it a reportable element for SB6. This concentration of ThO{sub 2} resulted in a second phase of experimental studies. Five glasses were formulated that were based on the centroid of the new sludge compositional region combined with Frit 418, spanning a WL range of 32 to 40%. These glasses were fabricated and characterized using chemical composition analysis and the PCT. Based on the measured PCT response, all of the glasses (with and without thorium) were acceptable with respect to the Environmental Assessment (EA) reference glass

  15. Recombinant glucose uptake system

    DOEpatents

    Ingrahm, Lonnie O.; Snoep, Jacob L.; Arfman, Nico

    1997-01-01

    Recombinant organisms are disclosed that contain a pathway for glucose uptake other than the pathway normally utilized by the host cell. In particular, the host cell is one in which glucose transport into the cell normally is coupled to PEP production. This host cell is transformed so that it uses an alternative pathway for glucose transport that is not coupled to PEP production. In a preferred embodiment, the host cell is a bacterium other than Z. mobilis that has been transformed to contain the glf and glk genes of Z. mobilis. By uncoupling glucose transport into the cell from PEP utilization, more PEP is produced for synthesis of products of commercial importance from a given quantity of biomass supplied to the host cells.

  16. Butanol production by immobilised Clostridium acetobutylicum in repeated batch, fed-batch, and continuous modes of fermentation.

    PubMed

    Dolejš, Igor; Krasňan, Vladimír; Stloukal, Radek; Rosenberg, Michal; Rebroš, Martin

    2014-10-01

    Clostridium acetobutylicum immobilised in polyvinylalcohol, lens-shaped hydrogel capsules (LentiKats(®)) was studied for production of butanol and other products of acetone-butanol-ethanol fermentation. After optimising the immobilisation protocol for anaerobic bacteria, continuous, repeated batch, and fed-batch fermentations in repeated batch mode were performed. Using glucose as a substrate, butanol productivity of 0.41 g/L/h and solvent productivity of 0.63 g/L/h were observed at a dilution rate of 0.05 h(-1) during continuous fermentation with a concentrated substrate (60 g/L). Through the process of repeated batch fermentation, the duration of fermentation was reduced from 27.8h (free-cell fermentation) to 3.3h (immobilised cells) with a solvent productivity of 0.77 g/L/h (butanol 0.57 g/L/h). The highest butanol and solvent productivities of 1.21 and 1.91 g/L/h were observed during fed-batch fermentation operated in repeated batch mode with yields of butanol (0.15 g/g) and solvents (0.24 g/g), respectively, produced per gram of glucose. Copyright © 2014 Elsevier Ltd. All rights reserved.

  17. Application of surface area measurement for identifying the source of batch-to-batch variation in processability.

    PubMed

    Vippagunta, Radha R; Pan, Changkang; Vakil, Ronak; Meda, Vindhya; Vivilecchia, Richard; Motto, Michael

    2009-01-01

    The primary goal of this study was to evaluate the use of specific surface area as a measurable physical property of materials for understanding the batch-to-batch variation in the flow behavior. The specific surface area measurements provide information about the nature of the surface making up the solid, which may include defects or void space on the surface. These void spaces are often present in the crystalline material due to varying degrees of disorderness and can be considered as amorphous regions. In the present work, the specific surface area for 10 batches of the same active pharmaceutical ingredient (compound 1) with varying quantity of amorphous content was investigated. Some of these batches showed different flow behavior when processed using roller compaction. The surface area value was found to increase in the presence of low amorphous content, and decrease with high amorphous content as compared to crystalline material. To complement the information obtained from the above study, physical blends of another crystalline active pharmaceutical ingredient (compound 2) and its amorphous form were prepared in known proportions. Similar trend in specific surface area value was found. Tablets prepared from known formulation with varying amorphous content of the active ingredient (compound 3) also exhibited the same trend. A hypothesis to explain the correlation between the amorphous content and specific surface area has been proposed. The results strongly support the use of specific surface area as a measurable tool for investigation of source of batch to batch variation in processability.

  18. Batch and Pulsed Fed-Batch Cultures of Aspergillus flavipes FP-500 Growing on Lemon Peel at Stirred Tank Reactor.

    PubMed

    Wolf-Márquez, V E; García-García, E; García-Rivero, M; Aguilar-Osorio, G; Martínez Trujillo, M A

    2015-11-01

    Aspergillus flavipes FP-500 grew up on submerged cultures using lemon peel as the only carbon source, developing several batch and pulsed fed-batch trials on a stirred tank reactor. The effect of carbon source concentration, reducing sugar presence and initial pH on exopectinase and endopectinase production, was analyzed on batch cultures. From this, we observed that the highest substrate concentration favored biomass (X max) but had not influence on the corresponding specific production (q p) of both pectinases; the most acid condition provoked higher endopectinase-specific productions but had not a significant effect on those corresponding to exopectinases; and reducing sugar concentrations higher than 1.5 g/L retarded pectinase production. On the other hand, by employing the pulsed fed-batch operation mode, we observed a prolonged growth phase, and an increase of about twofold on endopectinase production without a significant raise on biomass concentration. So, pulsed fed-batch seems to be a good alternative for obtaining higher endopectinase titers by using high lemon peel quantities without having mixing and repression problems to the system. The usefulness of unstructured kinetic models for explaining, under a theoretic level, the behavior of the fungus along the batch culture with regard to pectinase production was evident.

  19. Zinc and cadmium removal by biosorption on Undaria pinnatifida in batch and continuous processes.

    PubMed

    Plaza Cazón, J; Viera, M; Donati, E; Guibal, E

    2013-11-15

    Zn(II) and Cd(II) removal by biosorption using Undaria pinnatifida was studied in batch and dynamic systems. The kinetic uptake follows a pseudo second order rate equation indicating that the rate limiting step is a chemical reaction. The equilibrium data are described by the Langmuir isotherm in mono-component solutions. In binary solutions, the Jain and Snowyink model shows that most of the active sites are exclusively accessible to cadmium ions without competition with the zinc ions. The dynamic studies show that the biosorbent has higher retention and affinity for Cd(II) than for Zn(II) in both mono- and bi-component systems. SEM-EDX analysis indicates that the active sites are heterogeneously distributed on the cell wall surface. FT-IR spectrometry characterization shows that carboxylic groups and chemical groups containing N and S contribute to Zn(II) and Cd(II) uptake by U. pinnatifida. According to these results calcium-treated U. pinnatifida is a suitable adsorbent for Zn(II) and Cd(II) pollutants.

  20. Effects of perlite and caustic soda on microorganism activities of leachate in a sequence batch reactor.

    PubMed

    Ganjian, Etesam; Peyravi, Majid; Ghoreyshi, Ali Asqar; Jahanshahi, Mohsen; Khalili, Soodabeh; Shokuhi Rad, Ali

    2017-08-02

    The purpose of this article is to evaluate the effect of adsorbents and alkali pre-treatment on microorganism activities of activated sludge (AS) for the treatment of landfill leachate (LFL). The chemical oxygen demand (COD) and BOD5/COD ratio of LFL used in this research were 10,500 and 0.68, respectively. In order to survey the role of porous absorbent, perlite was employed as an alternative with low porosity and was compared to powdered activated carbon (PAC), which has been most widely used in the treatment process. As a result, the COD removal efficiency increased from 32% to 47.7% when alkali LFL was loaded to the sequence batch reactors (SBRs) at the optimum conditions of the biological process. Also, at the same condition, both SBRs containing PAC and perlite showed COD removals of over 81% and 72%, respectively. The specific oxygen uptake rate (SOUR) showed that alkali pre-treatment reduces the toxicity effect of heavy metals on microorganism activities. The adsorption capacity (the uptake of COD) was analyzed by Langmuir and Freundlich isotherm models. Further, the kinetic study of COD adsorption during the treatment process demonstrated that the alkali pre-treatment of LFL proceeded faster and was intensified by the presence of adsorbents.

  1. Thermodynamic Limit in Statistical Physics

    NASA Astrophysics Data System (ADS)

    Kuzemsky, A. L.

    2014-03-01

    The thermodynamic limit in statistical thermodynamics of many-particle systems is an important but often overlooked issue in the various applied studies of condensed matter physics. To settle this issue, we review tersely the past and present disposition of thermodynamic limiting procedure in the structure of the contemporary statistical mechanics and our current understanding of this problem. We pick out the ingenious approach by Bogoliubov, who developed a general formalism for establishing the limiting distribution functions in the form of formal series in powers of the density. In that study, he outlined the method of justification of the thermodynamic limit when he derived the generalized Boltzmann equations. To enrich and to weave our discussion, we take this opportunity to give a brief survey of the closely related problems, such as the equipartition of energy and the equivalence and nonequivalence of statistical ensembles. The validity of the equipartition of energy permits one to decide what are the boundaries of applicability of statistical mechanics. The major aim of this work is to provide a better qualitative understanding of the physical significance of the thermodynamic limit in modern statistical physics of the infinite and "small" many-particle systems.

  2. Thermodynamic efficiency out of equilibrium

    NASA Astrophysics Data System (ADS)

    Sivak, David; Crooks, Gavin

    2011-03-01

    Molecular-scale machines typically operate far from thermodynamic equilibrium, limiting the applicability of equilibrium statistical mechanics to understand their efficiency. Thermodynamic length analysis relates a non-equilibrium property (dissipation) to equilibrium properties (equilibrium fluctuations and their relaxation time). Herein we demonstrate that the thermodynamic length framework follows directly from the assumptions of linear response theory. Uniting these two frameworks provides thermodynamic length analysis a firmer statistical mechanical grounding, and equips linear response theory with a metric structure to facilitate the prediction and discovery of optimal (minimum dissipation) paths in complicated free energy landscapes. To explore the applicability of this theoretical framework, we examine its accuracy for simple bistable systems, parametrized to model single-molecule force-extension experiments. Through analytic derivation of the equilibrium fluctuations and numerical calculation of the dissipation and relaxation time, we verify that thermodynamic length analysis (though derived in a near-equilibrium limit) provides a strikingly good approximation even far from equilibrium, and thus provides a useful framework for understanding molecular motor efficiency.

  3. Production of savinase and population viability of Bacillus clausii during high-cell-density fed-batch cultivations.

    PubMed

    Christiansen, Torben; Michaelsen, Søren; Wümpelmann, Mogens; Nielsen, Jens

    2003-08-05

    The growth and product formation of a Savinase-producing Bacillus clausii were investigated in high-cell-density fed-batch cultivations with both linear and exponential feed profiles. The highest specific productivity of Savinase was observed shortly after the end of the initial batch phase for all feed profiles applied and, in addition, there was a time-dependent decrease in specific productivity. The specific glucose uptake rate increased with time for constant specific growth rate indicating that the maintenance requirements increased with time, possibly due to a decreasing K(+) concentration. The physiological state of the cells was monitored during the cultivations using a flow cytometry assay based on the permeability of the cell membrane to propidium iodide. In the latter parts of the fed-batch cultures with a linear feed profile, a large portion of the cell population was found to have a permeable membrane, indicating a large percentage of dead cells. By assuming that only cells with a nonpermeable membrane contributed to growth and product formation, the physiological properties of this subpopulation were calculated.

  4. Removal of arsenic(III) and arsenic(V) on chemically modified low-cost adsorbent: batch and column operations

    NASA Astrophysics Data System (ADS)

    Roy, Palas; Mondal, Naba Kumar; Bhattacharya, Shreya; Das, Biswajit; Das, Kousik

    2013-03-01

    Batch and column operations were performed utilizing thioglycolated sugarcane carbon (TSCC), a low-cost adsorbent, to remove As(III) and As(V) from aqueous systems. Under optimized batch conditions, the TSCC could remove up to 92.7 and 91.4 % for As(III) and As(V), respectively. An artificial neural network model showed the validity of TSCC as a preferable adsorbent for arsenic [As(III) and As(V)] removal in batch studies. In column operations, removal efficiency increases with increase in influent arsenic concentration and adsorbent dose and decreases with increase in flow rate. At an adsorbent dose of 6.0 g, flow rate 3.0 mL min-1, and initial arsenic concentration 1,500 μg L-1, the arsenic uptake capacity of TSCC for As(III) and As(V) was found to be 85.01 and 83.82 μg g-1, respectively. The Thomas model was used to analyze the column experimental data. Results from the column operations indicated that the adsorption behavior of arsenic [As(III) and As(V)] fits exceptionally well with the Thomas model with high correlation coefficient and very low standard error. Examinations of scanning electron microscopy and FTIR spectroscopy reveal that high arsenic adsorption favors surface complexation on the adsorbent surface.

  5. Cadmium, mercury, and nickel adsorption by tetravalent manganese feroxyhyte: selectivity, kinetic modeling, and thermodynamic study.

    PubMed

    Kokkinos, Evgenios; Soukakos, Konstantinos; Kostoglou, Margaritis; Mitrakas, Manassis

    2017-07-28

    This study is aiming to investigate tetravalent manganese feroxyhyte (TMFx) adsorption efficiency in removing heavy metals. The motivation of this study was the fact that TMFx is a highly negatively charged nanostructure material and that the metals Cd, Hg, and Ni were characterized as priority pollutants for drinking water. TMFx was evaluated through batch and continuous flow experiments in National Sanitation Foundation (NSF) water matrix which simulated the physicochemical characteristics of natural water. Water's pH significantly influences Cd and Ni adsorption efficiency which gradually increases when pH value rises from 5 to 9, while the corresponding one for Hg remains almost constant. Thermodynamic data showed a spontaneous and an exothermic nature weak-chemisorption (ΔΗ° = -17.5 ± 2 kJ/mol) of Cd, Ni, and Hg by TMFx. The determined ranking of adsorption affinity and selectivity (Cd > Ni > Hg) seems to be governed by the metals' speciation, as well as by hydration free energy, which is influenced, however, by their atomic radius. The lower adsorption capacity and selectivity of TMFx for Hg should be attributed both to uncharged species and to higher atomic radius. The similar Cd and Ni speciation in the NSF water matrix leads to the conclusion that the better affinity, selectivity, and adsorption kinetic of Cd versus Ni should be attributed to the lower hydration free energy of Cd which is in turn related to its higher atomic radius. The faster adsorption kinetic (Hg > Cd > Ni) of Hg may be attributed to the lower radius of its anhydrate species. Furthermore, TMFx showed high removal efficiency under continuous flow application in an adsorption bed setup. The determined uptake capacity (q RL) at equilibrium-breakthrough concentration equal to the drinking water regulation limit (RL) of each metal were q 1 = 2.5 μg Hg/mg TMFx, q 5 = 5.2 μg Cd/mg TMFx, and q 20 = 7.1 μg Ni/mg TMFx. Leaching tests of spent TMFx samples from the rapid small

  6. Phosphate uptake studies of cross-linked chitosan bead materials.

    PubMed

    Mahaninia, Mohammad H; Wilson, Lee D

    2017-01-01

    A systematic experimental study is reported that provides a molecular based understanding of cross-linked chitosan beads and their adsorption properties in aqueous solution containing phosphate dianion (HPO4(2-)) species. Synthetically modified chitosan using epichlorohydrin and glutaraldehyde cross-linkers result in surface modified beads with variable hydrophile-lipophile character and tunable HPO4(2-) uptake properties. The kinetic and thermodynamic adsorption properties of cross-linked chitosan beads with HPO4(2-) species were studied in aqueous solution. Complementary structure and physicochemical characterization of chitosan beads via potentiometry, Raman spectroscopy, DSC, and dye adsorption measurements was carried out to establish structure-property relationships. The maximum uptake (Qm) of bead systems with HPO4(2-) at equilibrium was 52.1mgg(-1); whereas, kinetic uptake results for chitosan bead/phosphate systems are relatively rapid (0.111-0.113min(-1)) with an intraparticle diffusion rate-limiting step. The adsorption process follows a multi-step pathway involving inner- and outer-sphere complexes with significant changes in hydration. Phosphate uptake strongly depends on the composition and type of cross-linker used for preparation of chitosan beads. The adsorption isotherms and structural characterization of bead systems illustrate the role of surface charge, hydrophile-lipophile balance, adsorption site accessibility, and hydration properties of the chitosan bead surface. Copyright © 2016 Elsevier Inc. All rights reserved.

  7. Local non-equilibrium thermodynamics.

    PubMed

    Jinwoo, Lee; Tanaka, Hajime

    2015-01-16

    Local Shannon entropy lies at the heart of modern thermodynamics, with much discussion of trajectory-dependent entropy production. When taken at both boundaries of a process in phase space, it reproduces the second law of thermodynamics over a finite time interval for small scale systems. However, given that entropy is an ensemble property, it has never been clear how one can assign such a quantity locally. Given such a fundamental omission in our knowledge, we construct a new ensemble composed of trajectories reaching an individual microstate, and show that locally defined entropy, information, and free energy are properties of the ensemble, or trajectory-independent true thermodynamic potentials. We find that the Boltzmann-Gibbs distribution and Landauer's principle can be generalized naturally as properties of the ensemble, and that trajectory-free state functions of the ensemble govern the exact mechanism of non-equilibrium relaxation.

  8. Non-hermitian quantum thermodynamics.

    PubMed

    Gardas, Bartłomiej; Deffner, Sebastian; Saxena, Avadh

    2016-03-22

    Thermodynamics is the phenomenological theory of heat and work. Here we analyze to what extent quantum thermodynamic relations are immune to the underlying mathematical formulation of quantum mechanics. As a main result, we show that the Jarzynski equality holds true for all non-hermitian quantum systems with real spectrum. This equality expresses the second law of thermodynamics for isothermal processes arbitrarily far from equilibrium. In the quasistatic limit however, the second law leads to the Carnot bound which is fulfilled even if some eigenenergies are complex provided they appear in conjugate pairs. Furthermore, we propose two setups to test our predictions, namely with strongly interacting excitons and photons in a semiconductor microcavity and in the non-hermitian tight-binding model.

  9. Thermodynamics of quantum information scrambling.

    PubMed

    Campisi, Michele; Goold, John

    2017-06-01

    Scrambling of quantum information can conveniently be quantified by so-called out-of-time-order correlators (OTOCs), i.e., correlators of the type 〈[W_{τ},V]^{†}[W_{τ},V]〉, whose measurements present a formidable experimental challenge. Here we report on a method for the measurement of OTOCs based on the so-called two-point measurement scheme developed in the field of nonequilibrium quantum thermodynamics. The scheme is of broader applicability than methods employed in current experiments and provides a clear-cut interpretation of quantum information scrambling in terms of nonequilibrium fluctuations of thermodynamic quantities, such as work and heat. Furthermore, we provide a numerical example on a spin chain which highlights the utility of our thermodynamic approach when understanding the differences between integrable and ergodic behaviors. We also discuss how the method can be used to extend the reach of current experiments.

  10. Local non-equilibrium thermodynamics

    PubMed Central

    Jinwoo, Lee; Tanaka, Hajime

    2015-01-01

    Local Shannon entropy lies at the heart of modern thermodynamics, with much discussion of trajectory-dependent entropy production. When taken at both boundaries of a process in phase space, it reproduces the second law of thermodynamics over a finite time interval for small scale systems. However, given that entropy is an ensemble property, it has never been clear how one can assign such a quantity locally. Given such a fundamental omission in our knowledge, we construct a new ensemble composed of trajectories reaching an individual microstate, and show that locally defined entropy, information, and free energy are properties of the ensemble, or trajectory-independent true thermodynamic potentials. We find that the Boltzmann-Gibbs distribution and Landauer's principle can be generalized naturally as properties of the ensemble, and that trajectory-free state functions of the ensemble govern the exact mechanism of non-equilibrium relaxation. PMID:25592077

  11. Non-hermitian quantum thermodynamics

    SciTech Connect

    Gardas, Bartłomiej; Deffner, Sebastian; Saxena, Avadh

    2016-03-22

    Thermodynamics is the phenomenological theory of heat and work. Here we analyze to what extent quantum thermodynamic relations are immune to the underlying mathematical formulation of quantum mechanics. As a main result, we show that the Jarzynski equality holds true for all non-hermitian quantum systems with real spectrum. This equality expresses the second law of thermodynamics for isothermal processes arbitrarily far from equilibrium. In the quasistatic limit however, the second law leads to the Carnot bound which is fulfilled even if some eigenenergies are complex provided they appear in conjugate pairs. Lastly, we propose two setups to test our predictions, namely with strongly interacting excitons and photons in a semiconductor microcavity and in the non-hermitian tight-binding model.

  12. Non-hermitian quantum thermodynamics

    DOE PAGES

    Gardas, Bartłomiej; Deffner, Sebastian; Saxena, Avadh

    2016-03-22

    Thermodynamics is the phenomenological theory of heat and work. Here we analyze to what extent quantum thermodynamic relations are immune to the underlying mathematical formulation of quantum mechanics. As a main result, we show that the Jarzynski equality holds true for all non-hermitian quantum systems with real spectrum. This equality expresses the second law of thermodynamics for isothermal processes arbitrarily far from equilibrium. In the quasistatic limit however, the second law leads to the Carnot bound which is fulfilled even if some eigenenergies are complex provided they appear in conjugate pairs. Lastly, we propose two setups to test our predictions,more » namely with strongly interacting excitons and photons in a semiconductor microcavity and in the non-hermitian tight-binding model.« less

  13. Statistical thermodynamics of clustered populations.

    PubMed

    Matsoukas, Themis

    2014-08-01

    We present a thermodynamic theory for a generic population of M individuals distributed into N groups (clusters). We construct the ensemble of all distributions with fixed M and N, introduce a selection functional that embodies the physics that governs the population, and obtain the distribution that emerges in the scaling limit as the most probable among all distributions consistent with the given physics. We develop the thermodynamics of the ensemble and establish a rigorous mapping to regular thermodynamics. We treat the emergence of a so-called giant component as a formal phase transition and show that the criteria for its emergence are entirely analogous to the equilibrium conditions in molecular systems. We demonstrate the theory by an analytic model and confirm the predictions by Monte Carlo simulation.

  14. Non-hermitian quantum thermodynamics

    PubMed Central

    Gardas, Bartłomiej; Deffner, Sebastian; Saxena, Avadh

    2016-01-01

    Thermodynamics is the phenomenological theory of heat and work. Here we analyze to what extent quantum thermodynamic relations are immune to the underlying mathematical formulation of quantum mechanics. As a main result, we show that the Jarzynski equality holds true for all non-hermitian quantum systems with real spectrum. This equality expresses the second law of thermodynamics for isothermal processes arbitrarily far from equilibrium. In the quasistatic limit however, the second law leads to the Carnot bound which is fulfilled even if some eigenenergies are complex provided they appear in conjugate pairs. Furthermore, we propose two setups to test our predictions, namely with strongly interacting excitons and photons in a semiconductor microcavity and in the non-hermitian tight-binding model. PMID:27003686

  15. Nonequilibrium thermodynamics of an interface

    NASA Astrophysics Data System (ADS)

    Schweizer, Marco; Öttinger, Hans Christian; Savin, Thierry

    2016-05-01

    Interfacial thermodynamics has deep ramifications in understanding the boundary conditions of transport theories. We present a formulation of local equilibrium for interfaces that extends the thermodynamics of the "dividing surface," as introduced by Gibbs, to nonequilibrium settings such as evaporation or condensation. By identifying the precise position of the dividing surface in the interfacial region with a gauge degree of freedom, we exploit gauge-invariance requirements to consistently define the intensive variables for the interface. The model is verified under stringent conditions by employing high-precision nonequilibrium molecular-dynamics simulations of a coexisting vapor-liquid Lennard-Jones fluid. We conclude that the interfacial temperature is determined using the surface tension as a "thermometer," and it can be significantly different from the temperatures of the adjacent phases. Our findings lay foundations for nonequilibrium interfacial thermodynamics.

  16. Thermodynamics of soft anisotropic interfaces.

    PubMed

    Rey, Alejandro D

    2004-01-22

    The Gibbs-Duhem equation for interfaces between nematic liquid crystals and isotropic fluids is formulated and shown to be a generic equation for soft anisotropic surfaces. The one-to-one correspondence between the nematic and crystalline surface Gibbs-Duhem equations is established. Consistency between the surface Gibbs-Duhem equation and the classical equations of interfacial nematostatics is shown. Using a phase space that takes into account thermodynamics, liquid crystalline order, and geometric variables, the generalized nematic surface Gibbs-Duhem equation reveals the presence of couplings between shape, adsorption, temperature, and average molecular orientation. Merging the thermodynamic analysis with nematostatics results in a model for morphactancy, that is, adsorption-induced interfacial shape selection. The specific roles of gradient bulk Frank elasticity, interfacial tension, and anchoring energy are elucidated by analyzing particular paths in the thermodynamic-geometric phase space.

  17. Effects of light intensity and temperature on Cryptomonas ovata (Cryptophyceae) growth and nutrient uptake rates

    USGS Publications Warehouse

    Cloern, James E.

    1977-01-01

    Specific growth rate of Cryptomonas ovata var. palustris Pringsheim was measured in batch culture at 14 light-temperature combinations. Both the maximum growth rate (μm) and optimum light intensity (Iopt) fit an empirical function that increases exponentially with temperature up to an optimum (Topt), then declines rapidly as temperature exceeds Topt. Incorporation of these functions into Steele's growth equation gives a good estimate of specific growth rate over a wide range of temperature and light intensity. Rates of phosphate, ammonium and nitrate uptake were measured separately at 16 combinations of irradiance and temperature and following a spike addition of all starved cells initially took up nutrient at a rapid rate. This transitory surge was followed by a period of steady, substrate-saturated uptake that persisted until external nutrient concentration fell. Substrate-saturated NO3−-uptake proceeded at very slow rates in the dark and was stimulated by both increased temperature and irradiance; NH4+-uptake apparently proceeded at a basal rate at 8 and l4 C and was also stimulated by increased temperature and irradiance. Rates of NH4−-uptake were much higher than NO3−-uptake at all light-temperature combinations. Below 20 C, PO4−3-uptake was more rapid in dark than in light, but was light enhanced at 26 C.

  18. Single-Batch Production of Recombinant Human Polyclonal Antibodies

    PubMed Central

    Nielsen, Lars S.; Baer, Alexandra; Müller, Christian; Gregersen, Kristian; Mønster, Nina T.; Rasmussen, Søren K.; Weilguny, Dietmar

    2010-01-01

    We have previously described the development and implementation of a strategy for production of recombinant polyclonal antibodies (rpAb) in single batches employing CHO cells generated by site-specific integration, the SympressTM I technology. The SympressTM I technology is implemented at industrial scale, supporting a phase II clinical development program. Production of recombinant proteins by site-specific integration, which is based on incorporation of a single copy of the gene of interest, makes the SympressTM I technology best suited to support niche indications. To improve titers while maintaining a cost-efficient, highly reproducible single-batch manufacturing mode, we have evaluated a number of different approaches. The most successful results were obtained using random integration in a new producer cell termed ECHO, a CHO DG44 cell derivative engineered for improved productivity at Symphogen. This new expression process is termed the SympressTM II technology. Here we describe proof-of-principle data demonstrating the feasibility of the SympressTM II technology for single-batch rpAb manufacturing using two model systems each composed of six target-specific antibodies. The compositional stability and the batch-to-batch reproducibility of rpAb produced by the ECHO cells were at least as good as observed previously using site-specific integration technology. Furthermore, the new process had a significant titer increase. PMID:20306237

  19. About the equivalence between different batches of a glycopeptide drug.

    PubMed

    Boix-Montañes, Antonio; Garcia-Arieta, Alfredo

    2016-08-01

    Teicoplanin is a glycopeptide antibiotic consisting of a combination of different active components. Clinical equivalence between different batches of this drug is not guaranteed by the present pharmacopeial specification of chemical composition based on an HPLC chromatogram. To test a modification of this specification and to evaluate independent compositions recently published in the literature. The expectable area under the plasma curve of each batch has been estimated based on its chemical composition as described in a former paper. Batch-comparisons are based on ratios between the area of the test batch and the area of a reference. The modification of this specification recently proposed by the European Medicines Agency (EMA) has been tested confirming its goodness. A new acceptance range of AUC variation, rounding -10% to +15%, has been obtained. It is narrower than the current interval of the pharmacopeial specification. Concerning the generic batches that have been studied, the majority of differences with the reference is lower than ±10%. Variations in the compositions of the reference product have been observed to influence the results and a control criteria are proposed. The variability of the pharmacokinetic performance of teicoplanin can be better controlled with this new proposal of composition specification given by EMA.

  20. Single-batch production of recombinant human polyclonal antibodies.

    PubMed

    Nielsen, Lars S; Baer, Alexandra; Müller, Christian; Gregersen, Kristian; Mønster, Nina T; Rasmussen, Søren K; Weilguny, Dietmar; Tolstrup, Anne B

    2010-07-01

    We have previously described the development and implementation of a strategy for production of recombinant polyclonal antibodies (rpAb) in single batches employing CHO cells generated by site-specific integration, the Sympress I technology. The Sympress I technology is implemented at industrial scale, supporting a phase II clinical development program. Production of recombinant proteins by site-specific integration, which is based on incorporation of a single copy of the gene of interest, makes the Sympress I technology best suited to support niche indications. To improve titers while maintaining a cost-efficient, highly reproducible single-batch manufacturing mode, we have evaluated a number of different approaches. The most successful results were obtained using random integration in a new producer cell termed ECHO, a CHO DG44 cell derivative engineered for improved productivity at Symphogen. This new expression process is termed the Sympress II technology. Here we describe proof-of-principle data demonstrating the feasibility of the Sympress II technology for single-batch rpAb manufacturing using two model systems each composed of six target-specific antibodies. The compositional stability and the batch-to-batch reproducibility of rpAb produced by the ECHO cells were at least as good as observed previously using site-specific integration technology. Furthermore, the new process had a significant titer increase.

  1. Towards Batched Linear Solvers on Accelerated Hardware Platforms

    SciTech Connect

    Haidar, Azzam; Dong, Tingzing Tim; Tomov, Stanimire; Dongarra, Jack J

    2015-01-01

    As hardware evolves, an increasingly effective approach to develop energy efficient, high-performance solvers, is to design them to work on many small and independent problems. Indeed, many applications already need this functionality, especially for GPUs, which are known to be currently about four to five times more energy efficient than multicore CPUs for every floating-point operation. In this paper, we describe the development of the main one-sided factorizations: LU, QR, and Cholesky; that are needed for a set of small dense matrices to work in parallel. We refer to such algorithms as batched factorizations. Our approach is based on representing the algorithms as a sequence of batched BLAS routines for GPU-contained execution. Note that this is similar in functionality to the LAPACK and the hybrid MAGMA algorithms for large-matrix factorizations. But it is different from a straightforward approach, whereby each of GPU's symmetric multiprocessors factorizes a single problem at a time. We illustrate how our performance analysis together with the profiling and tracing tools guided the development of batched factorizations to achieve up to 2-fold speedup and 3-fold better energy efficiency compared to our highly optimized batched CPU implementations based on the MKL library on a two-sockets, Intel Sandy Bridge server. Compared to a batched LU factorization featured in the NVIDIA's CUBLAS library for GPUs, we achieves up to 2.5-fold speedup on the K40 GPU.

  2. Vanadium Uptake by Plants

    PubMed Central

    Welch, Ross M.

    1973-01-01

    The kinetics of vanadium absorption by excised barley (Hordeum vulgare L., cv. Eire) roots were investigated with respect to ionic species of V in solution, time and concentration dependence, Ca sensitivity, and interaction with various anions, cations, and pH levels. The role of metabolism in V absorption was also studied using anaerobic treatment (N2 gas) and chemical inhibitors (NaN3, KCN, or 2,4-dinitrophenol). Approximately one-third of the labeled V initially taken up by excised roots was desorbed to a constant level after 45 min in unlabeled V solutions. The rate of absorption of labeled V from 5 μm NH4VO3 solutions containing 0.5 mm CaSO4 was constant for at least 3 hours. Omission of Ca resulted in a 72% reduction in V uptake when compared to controls with 0.5 mm CaSO4. The rate of uptake of V was highest at pH 4 but dropped to a very low level at pH 10. It was relatively constant between the pH levels of 5 and 8 at which the VO3− ion is the predominant ionic species in solution. The rate of absorption of V was followed as a function of concentrations from 0.5 to 100 μm NH4VO3. It was found to be a linear function of concentration and did not follow saturation kinetics. Absorption experiments carried out with labeled V from either NaVO3 or NH4VO3 sources gave similar results. No anion studied (i.e. HPO42−, HAsO42−, MoO42−, SeO42−, SeO32−, CrO42−, BO33−, No3−, and Cl−) interfered appreciably (i.e. less than 30% inhibition) with the absorption of labeled V. Anaerobic treatment of absorption solution with N2 gas did not inhibit V absorption by excised roots. The results obtained using chemical inhibitors were not consistent. It was concluded that V is not actively absorbed by excised barley roots. PMID:16658421

  3. Aerobic MTBE biodegradation in the presence of BTEX by two consortia under batch and semi-batch conditions.

    PubMed

    Raynal, M; Pruden, A

    2008-04-01

    This study explores the effect of microbial consortium composition and reactor configuration on methyl tert-butyl ether (MTBE) biodegradation in the presence of benzene, toluene, ethylbenzene and p-xylenes(BTEX). MTBE biodegradation was monitored in the presence and absence of BTEX in duplicate batch reactors inoculated with distinct enrichment cultures: MTBE only (MO-originally enriched on MTBE) and/or MTBE BTEX (MB-originally enriched on MTBE and BTEX). The MO culture was also applied in a semi-batch reactor which received both MTBE and BTEX periodically in fresh medium after allowing cells to settle. The composition of the microbial consortia was explored using a combination of 16S rRNA gene cloning and quantitative polymerase chain reaction targeting the known MTBE-degrading strain PM1T. MTBE biodegradation was completely inhibited by BTEX in the batch reactors inoculated with the MB culture, and severely retarded in those inoculated with the MO culture (0.18+/-0.04 mg/L-day). In the semi-batch reactor, however, the MTBE biodegradation rate in the presence of BTEX was almost three times as high as in the batch reactors (0.48+/-0.2 mg/L-day), but still slower than MTBE biodegradation in the absence of BTEX in the MO-inoculated batch reactors (1.47+/-0.47 mg/L-day). A long lag phase in MTBE biodegradation was observed in batch reactors inoculated with the MB culture (20 days), but the ultimate rate was comparable to the MO culture (0.95+/-0.44 mg/L-day). Analysis of the cultures revealed that strain PM1T concentrations were lower in cultures that successfully biodegraded MTBE in the presence of BTEX. Also, other MTBE degraders, such as Leptothrix sp. and Hydrogenophaga sp. were found in these cultures. These results demonstrate that MTBE bioremediation in the presence of BTEX is feasible, and that culture composition and reactor configuration are key factors.

  4. Thermodynamic characterization of Mexico City aerosol during MILAGRO 2006

    NASA Astrophysics Data System (ADS)

    Fountoukis, C.; Nenes, A.; Sullivan, A.; Weber, R.; van Reken, T.; Fischer, M.; Matías, E.; Moya, M.; Farmer, D.; Cohen, R. C.

    2009-03-01

    Fast measurements of aerosol and gas-phase constituents coupled with the ISORROPIA-II thermodynamic equilibrium model are used to study the partitioning of semivolatile inorganic species and phase state of Mexico City aerosol sampled at the T1 site during the MILAGRO 2006 campaign. Overall, predicted semivolatile partitioning agrees well with measurements. PM2.5 is insensitive to changes in ammonia but is to acidic semivolatile species. For particle sizes up to 1μm diameter, semi-volatile partitioning requires 15-30 min to equilibrate; longer time is typically required during the night and early morning hours. Aerosol and gas-phase speciation always exhibits substantial temporal variability, so that aerosol composition measurements (bulk or size-resolved) obtained over large integration periods are not reflective of its true state. When the aerosol sulfate-to-nitrate molar ratio is less than unity, predictions improve substantially if the aerosol is assumed to follow the deliquescent phase diagram. Treating crustal species as "equivalent sodium" (rather than explicitly) in the thermodynamic equilibrium calculations introduces important biases in predicted aerosol water uptake, nitrate and ammonium; neglecting crustals further increases errors dramatically. This suggests that explicitly considering crustals in the thermodynamic calculations is required to accurately predict the partitioning and phase state of aerosols.

  5. Thermodynamic Characterization of Mexico City Aerosol during MILAGRO 2006

    SciTech Connect

    Fountoukis, C.; Nenes, A.; Sullivan, A.; Weber, R.; VanReken, T.; Fischer, M.; Matias, E.; Moya, M.; Farmer, D.; Cohen, R.C.

    2008-12-05

    Fast measurements of aerosol and gas-phase constituents coupled with the ISORROPIA-II thermodynamic equilibrium model are used to study the partitioning of semivolatile inorganic species and phase state of Mexico City aerosol sampled at the T1 site during the MILAGRO 2006 campaign. Overall, predicted semivolatile partitioning agrees well with measurements. PM{sub 2.5} is insensitive to changes in ammonia but is to acidic semivolatile species. For particle sizes up to 1 {micro}m diameter, semi-volatile partitioning requires 30-60 min to equilibrate; longer time is typically required during the night and early morning hours. When the aerosol sulfate-to-nitrate molar ratio is less than unity, predictions improve substantially if the aerosol is assumed to follow the deliquescent phase diagram. Treating crustal species as 'equivalent sodium' (rather than explicitly) in the thermodynamic equilibrium calculations introduces important biases in predicted aerosol water uptake, nitrate and ammonium; neglecting crustals further increases errors dramatically. This suggests that explicitly considering crustals in the thermodynamic calculations is required to accurately predict the partitioning and phase state of aerosols.

  6. Information thermodynamics on causal networks.

    PubMed

    Ito, Sosuke; Sagawa, Takahiro

    2013-11-01

    We study nonequilibrium thermodynamics of complex information flows induced by interactions between multiple fluctuating systems. Characterizing nonequilibrium dynamics by causal networks (i.e., Bayesian networks), we obtain novel generalizations of the second law of thermodynamics and the fluctuation theorem, which include an informational quantity characterized by the topology of the causal network. Our result implies that the entropy production in a single system in the presence of multiple other systems is bounded by the information flow between these systems. We demonstrate our general result by a simple model of biochemical adaptation.

  7. Nickel uptake in Bradyrhizobium japonicum

    SciTech Connect

    Stults, L.W.; Mallick, S.; Maier, R.J.

    1987-04-01

    Free-living Bradyrhizobium japonicum grown heterotrophically with 1 ..mu..M /sup 63/Ni/sup 2 +/ accumulated label. Strain SR470, a Hup/sup c/ mutant, accumulated almost 10-fold more /sup 63/Ni/sup 2 +/ on a per-cell basis than did strain SR, the wild type. Nongrowing cells were also able to accumulate nickel over a 2-h period, with the Hup/sup c/ mutant strain SR470 again accumulating significantly more /sup 63/Ni/sup 2 +/ than strain SR. These results suggest that this mutant is constitutive for nickel uptake as well as for hydrogenase expression. The uptake process was relatively specific for nickel; only Cu/sup 2 +/ and Zn/sup 2 +/ (10 ..mu..M) were found to appreciably inhibit the uptake of 1 ..mu..M Ni, while a 10-fold excess of Mg/sup 2 +/, Co/sup 2 +/, Fe/sup 3 +/, or Mn/sup 2 +/ did not affect Ni/sup 2 +/ uptake. The lack of inhibition by Mg/sup 2 +/ indicates that nickel is not transported by a magnesium uptake system. Nickel uptake was also inhibited by cold and slightly by the ionophores nigericin and carbonyl cyanide m-chlorophenylhydrazone. The cytochrome c oxidase inhibitors azide, cyanide, and hydroxylamine did not inhibit Ni/sup 2 +/ uptake, even at concentrations (of cyanide and hydroxylamine) that inhibited O/sub 2/ uptake. The addition of oxidizable substrates such as succinate or gluconate did not increase nickel uptake, even though they increased respiratory activity. Nickel uptake showed a pH dependence with an optimum at 6.0. Most (approximately 85%) of the /sup 63/Ni/sup 2 +/ taken up in 1 min by strain SR470 was not exchangeable with cold nickel.

  8. Isotherm, kinetic, and thermodynamic study of ciprofloxacin sorption on sediments.

    PubMed

    Mutavdžić Pavlović, Dragana; Ćurković, Lidija; Grčić, Ivana; Šimić, Iva; Župan, Josip

    2017-04-01

    In this study, equilibrium isotherms, kinetics and thermodynamics of ciprofloxacin on seven sediments in a batch sorption process were examined. The effects of contact time, initial ciprofloxacin concentration, temperature and ionic strength on the sorption process were studied. The K d parameter from linear sorption model was determined by linear regression analysis, while the Freundlich and Dubinin-Radushkevich (D-R) sorption models were applied to describe the equilibrium isotherms by linear and nonlinear methods. The estimated K d values varied from 171 to 37,347 mL/g. The obtained values of E (free energy estimated from D-R isotherm model) were between 3.51 and 8.64 kJ/mol, which indicated a physical nature of ciprofloxacin sorption on studied sediments. According to obtained n values as measure of intensity of sorption estimate from Freundlich isotherm model (from 0.69 to 1.442), ciprofloxacin sorption on sediments can be categorized from poor to moderately difficult sorption characteristics. Kinetics data were best fitted by the pseudo-second-order model (R (2) > 0.999). Thermodynamic parameters including the Gibbs free energy (ΔG°), enthalpy (ΔH°) and entropy (ΔS°) were calculated to estimate the nature of ciprofloxacin sorption. Results suggested that sorption on sediments was a spontaneous exothermic process.

  9. Formation of co-crystals: Kinetic and thermodynamic aspects

    NASA Astrophysics Data System (ADS)

    Gagnière, E.; Mangin, D.; Puel, F.; Rivoire, A.; Monnier, O.; Garcia, E.; Klein, J. P.

    2009-04-01

    Co-crystallisation is a recent method of great interest for the pharmaceutical industry, since pharmaceutical co-crystals represent useful materials for drug products. In this study, an active pharmaceutical ingredient (carbamazepine (CBZ)) co-crystallized with a vitamin (nicotinamide (NCT)) was chosen as a model substance. This work was focused on the construction of a phase diagram for the system CBZ/NCT, split in six domains for kinetic reasons (the different solid phases which might appear during the crystallisation) and in four domains according to thermodynamic aspects (the stable final phase obtained). Although co-crystals are not ionic compounds, the supersaturation of co-crystals can be evaluated by considering the solubility product. Batch crystallisation operations were carried out in a stirred vessel equipped with an in situ video probe. This latter device was a powerful analysis tool to monitor the CBZ/NCT co-crystals and single CBZ crystals since these two crystalline phases grown in ethanol exhibited needle and platelet habits. As concerns kinetics, the different solid phases which might appear during the experiments were observed and competed against each others. In accordance with thermodynamics, the stable solid form was obtained at the end of the operation. Finally some preliminary results indicate that the nucleation of co-crystals may be favoured by the presence of CBZ crystals. Epitaxial relationships between CBZ/NCT co-crystals and CBZ crystals were suspected.

  10. A Thermodynamically-consistent FBA-based Approach to Biogeochemical Reaction Modeling

    NASA Astrophysics Data System (ADS)

    Shapiro, B.; Jin, Q.

    2015-12-01

    Microbial rates are critical to understanding biogeochemical processes in natural environments. Recently, flux balance analysis (FBA) has been applied to predict microbial rates in aquifers and other settings. FBA is a genome-scale constraint-based modeling approach that computes metabolic rates and other phenotypes of microorganisms. This approach requires a prior knowledge of substrate uptake rates, which is not available for most natural microbes. Here we propose to constrain substrate uptake rates on the basis of microbial kinetics. Specifically, we calculate rates of respiration (and fermentation) using a revised Monod equation; this equation accounts for both the kinetics and thermodynamics of microbial catabolism. Substrate uptake rates are then computed from the rates of respiration, and applied to FBA to predict rates of microbial growth. We implemented this method by linking two software tools, PHREEQC and COBRA Toolbox. We applied this method to acetotrophic methanogenesis by Methanosarcina barkeri, and compared the simulation results to previous laboratory observations. The new method constrains acetate uptake by accounting for the kinetics and thermodynamics of methanogenesis, and predicted well the observations of previous experiments. In comparison, traditional methods of dynamic-FBA constrain acetate uptake on the basis of enzyme kinetics, and failed to reproduce the experimental results. These results show that microbial rate laws may provide a better constraint than enzyme kinetics for applying FBA to biogeochemical reaction modeling.

  11. Effect of pH on biological phosphorus uptake.

    PubMed

    Serralta, J; Ferrer, J; Borrás, L; Seco, A

    2006-12-05

    An anaerobic aerobic laboratory scale sequencing batch reactor (SBR) was operated to study the effect of pH on enhanced biological phosphorus removal. Seven steady states were achieved under different operating conditions. In all of them, a slight variation in the pH value was observed during anaerobic phase. However, pH rose significantly during aerobic phase. The increase observed was due to phosphorus uptake and carbon dioxide stripping. When pH was higher than 8.2-8.25 the phosphorus uptake rate clearly decreased. The capability of Activated Sludge Model No. 2d (ASM2d) and Biological Nutrient Removal Model No. 1 (BNRM1) to simulate experimental results was evaluated. Both models successfully characterized the enhanced biological phosphorus removal performance of the SBR. Furthermore, BNRM1 also reproduced the pH variations observed and the decrease in the phosphorus uptake rate. This model includes a switch function in the kinetic expressions to represent the pH inhibition in biological processes. The pH inhibition constants related to polyphosphate storage process were obtained by adjusting model predictions to measured phosphorus concentrations. On the other hand, pH inhibition should be included in ASM2d to accurately simulate experimental phosphorus evolution observed in an A/O SBR.

  12. Vertical profiles of cloud condensation nuclei, aerosol hygroscopicity, water uptake, and scattering across the United States

    NASA Astrophysics Data System (ADS)

    Lin, J. J.; Bougiatioti, A.; Nenes, A.; Anderson, B. E.; Beyersdorf, A. J.; Brock, C. A.; Gordon, T. D.; Lack, D.; Law, D. C.; Liao, J.; Middlebrook, A. M.; Richardson, M.; Thornhill, K. L., II; Winstead, E.; Wagner, N. L.; Welti, A.; Ziemba, L. D.

    2014-12-01

    The evolutions of vertical distributions of aerosol chemical, microphysical, hygroscopic, and optical properties present fundamental challenges to the understanding of ground-level air quality and radiative transfer, and few datasets exist to date for evaluation of atmospheric models. Data collected from recent NASA and NOAA field campaigns in the California Central Valley (DISCOVER-AQ), southeast United States (SENEX, SEAC4RS) and Texas (DISCOVER-AQ) allow for a unique opportunity to constrain vertical profiles of climate-relevant aerosol properties. This work presents in-situ aircraft measurements of cloud condensation nuclei (CCN) concentration and derivations of aerosol hygroscopicity, water uptake, and light scattering. Aerosol hygroscopicity is derived from CCN and aerosol measurements. Inorganic water uptake is calculated from aerosol composition using ISORROPIA, a chemical thermodynamic model, while organic water uptake is calculated from organic hygroscopicity. Aerosol scattering closure is performed between scattering from water uptake calculations and in-situ scattering measurements.

  13. Optimization for a recombinant E. coli fed-batch fermentation

    SciTech Connect

    Chen, Q.; Bentley, W.E.; Weigand, W.A.

    1995-12-31

    The operating strategy that produces the maximum foreign protein expression for a fed-batch process is desired. This is achieved by using a feasible quadratic programming (FSQP) algorithm with a structured model that describes cell growth and product formation for recombinant E. coli. Optimization calculations for a fed-batch culture have not been performed with a model of this complexity up to this point. A constraint on the maximum cell concentration was included. For a fixed value of batch time, the results show that the optimal time profile of feed flow rate can increase the yield of foreign protein by 12-29% over a constant feed rate policy. Also, it was found that the computation time for the FSQP algorithm can be reduced significantly by considering suboptimal profiles of the feed rate, with a minor effect on calculated protein yield.

  14. A High-Fidelity Batch Simulation Environment for Integrated Batch and Piloted Air Combat Simulation Analysis

    NASA Technical Reports Server (NTRS)

    Goodrich, Kenneth H.; McManus, John W.; Chappell, Alan R.

    1992-01-01

    A batch air combat simulation environment known as the Tactical Maneuvering Simulator (TMS) is presented. The TMS serves as a tool for developing and evaluating tactical maneuvering logics. The environment can also be used to evaluate the tactical implications of perturbations to aircraft performance or supporting systems. The TMS is capable of simulating air combat between any number of engagement participants, with practical limits imposed by computer memory and processing power. Aircraft are modeled using equations of motion, control laws, aerodynamics and propulsive characteristics equivalent to those used in high-fidelity piloted simulation. Databases representative of a modern high-performance aircraft with and without thrust-vectoring capability are included. To simplify the task of developing and implementing maneuvering logics in the TMS, an outer-loop control system known as the Tactical Autopilot (TA) is implemented in the aircraft simulation model. The TA converts guidance commands issued by computerized maneuvering logics in the form of desired angle-of-attack and wind axis-bank angle into inputs to the inner-loop control augmentation system of the aircraft. This report describes the capabilities and operation of the TMS.

  15. Acrylic matrix type nicotine transdermal patches: in vitro evaluations and batch-to-batch uniformity.

    PubMed

    Pongjanyakul, Thaned; Prakongpan, Sompol; Priprem, Aroonsri

    2003-09-01

    Nicotine transdermal patches (NTPs) were fabricated using an acrylic pressure sensitive adhesive emulsion to form a transparent matrix film. An automated thin layer chromatography (TLC) plate scraper was used to control the thickness of the cast nicotine matrix film. The in vitro release behavior and permeation of nicotine across abdominal human epidermis (HE) from the NTPs was studied using United States Pharmacopeia (USP) dissolution apparatus 5 (paddle over disk) and modified Franz-diffusion cell, respectively. The release of nicotine from the NTPs showed a good linear correlation with the square root of time (R2 > 0.99). This indicated a matrix diffusion controlled-release mechanism. The surface morphology of the matrix of the NTP was uniform and nonporous before and after release, indicating that the dried adhesive nicotine matrix was a homogeneous single-phase film. Neither the nicotine content in the range 4.70-8.41% w/w nor the film thicknesses of the NTPs affected the apparent diffusion coefficient of nicotine in the acrylic matrix. A good relationship between the amount of nicotine permeated across the HE and the square root of time was also observed with R2 > 0.98. This study also showed that the NTPs provided a good delivery system with more than 65% of the nicotine delivery being controlled by the device. Moreover, the release of nicotine from six production batches met the criteria of USP 24. This finding presented a good potential of this method for upscaling to industrial manufacturing.

  16. Upstream process optimization of polyhydroxybutyrate (PHB) by Alcaligenes latus using two-stage batch and fed-batch fermentation strategies.

    PubMed

    Wang, Bingqing; Sharma-Shivappa, Ratna R; Olson, Jonathan W; Khan, Saad A

    2012-11-01

    This research focused on optimizing the upstream process time for production of polyhydroxybutyrate (PHB) from sucrose by two-stage batch and fed-batch fermentation with Alcaligenes latus ATCC 29714. The study included selection of strain, two-stage batch fermentations with different time points for switching to nitrogen limited media (14, 16 or 18 h) and fed-batch fermentations with varied time points (similar to two stage) for introducing nitrogen limited media. The optimal strain to produce PHB using sucrose as carbon source was A. latus ATCC 29714 with maximum-specific growth rate of 0.38 ± 0.01 h(-1) and doubling time of 1.80 ± 0.05 h. Inducing nitrogen limitation at 16 h and ending second stage at 26 h gave optimal performance for PHB production, resulting in a PHB content of 46.7 ± 12.2 % (g PHB per g dry cell weight) at the end of fermentation. This was significantly higher (P ≤ 0.05) (approximately 7 %) than the corresponding fed batch run in which nitrogen limitation was initiated at 16 h.

  17. Kinetics and thermodynamics studies of silver ions adsorption onto coconut shell activated carbon.

    PubMed

    Silva-Medeiros, Flávia V; Consolin-Filho, Nelson; Xavier de Lima, Mateus; Bazzo, Fernando Previato; Barros, Maria Angélica S D; Bergamasco, Rosângela; Tavares, Célia R G

    2016-12-01

    The presence of silver in the natural water environment has been of great concern because of its toxicity, especially when it is in the free ion form (Ag(+)). This paper aims to study the adsorption kinetics of silver ions from an aqueous solution onto coconut shell activated carbon using batch methods. Batch kinetic data were fitted to the first-order model and the pseudo-second-order model, and this last equation fits correctly the experimental data. Equilibrium experiments were carried out at 30°C, 40°C, and 50°C. The adsorption isotherms were reasonably fit using Langmuir model, and the adsorption process was slightly influenced by changes in temperature. Thermodynamic parameters (ΔH°, ΔG°, and ΔS°) were determined. The adsorption process seems to be non-favorable, exothermic, and have an increase in the orderness.

  18. Modelling reactive CAH transport using batch experiment degradation kinetics.

    PubMed

    Haest, Pieter J; Springael, Dirk; Smolders, Erik

    2010-05-01

    Models describing transport of degradable organic substances in a porous medium require parameters of the biodegradation kinetics that can be obtained from batch degradation assays. It is rarely assessed if liquid batch biodegradation rates allow extrapolation to reactive transport in a porous medium, i.e. if the cell specific activity in a porous medium with flow-through is identical to that of pelagic cells in liquid cultures. Failure of model predictions can be used to identify the rate-limiting processes in the reactive transport. Column data of anaerobic trichloroethene (TCE) transport and degradation at three flow rates were predicted with a model using biodegradation kinetics derived from a liquid culture. The extent of dechlorination at the column outlet was very well predicted within a factor 1.4 if the specific microbial biomass in the columns was used as an input parameter. This suggests that potential mass transfer limitations in biofilms or differences in microbial ecology between batch and column had minor effects on dechlorination. The model was subsequently extended with Monod kinetics to predict both biomass growth and chlorinated aliphatic hydrocarbon (CAH) degradation in the columns using liquid batch data. These models largely overestimated CAH dechlorination unless microbial transport with cell elution was included and unless a slight batch to column adjustment was made to better predict microbial biomass. With 4 adjustable parameters the model succeeded in predicting the microbial numbers within a factor 4.3 and the extent of dechlorination within a factor 1.2. Our analysis validates the batch to column extrapolation for this dedicated set-up provided that the microbial biomass in columns is well predicted. The sensitivity analysis shows that the extent of dechlorination in the reactive transport is most sensitive to the parameters of TCE degradation kinetics, including microbial growth followed by the residence time. Copyright (c) 2010

  19. Stochastic growth logistic model with aftereffect for batch fermentation process

    SciTech Connect

    Rosli, Norhayati; Ayoubi, Tawfiqullah; Bahar, Arifah; Rahman, Haliza Abdul; Salleh, Madihah Md

    2014-06-19

    In this paper, the stochastic growth logistic model with aftereffect for the cell growth of C. acetobutylicum P262 and Luedeking-Piret equations for solvent production in batch fermentation system is introduced. The parameters values of the mathematical models are estimated via Levenberg-Marquardt optimization method of non-linear least squares. We apply Milstein scheme for solving the stochastic models numerically. The effciency of mathematical models is measured by comparing the simulated result and the experimental data of the microbial growth and solvent production in batch system. Low values of Root Mean-Square Error (RMSE) of stochastic models with aftereffect indicate good fits.

  20. Stochastic growth logistic model with aftereffect for batch fermentation process

    NASA Astrophysics Data System (ADS)

    Rosli, Norhayati; Ayoubi, Tawfiqullah; Bahar, Arifah; Rahman, Haliza Abdul; Salleh, Madihah Md

    2014-06-01

    In this paper, the stochastic growth logistic model with aftereffect for the cell growth of C. acetobutylicum P262 and Luedeking-Piret equations for solvent production in batch fermentation system is introduced. The parameters values of the mathematical models are estimated via Levenberg-Marquardt optimization method of non-linear least squares. We apply Milstein scheme for solving the stochastic models numerically. The effciency of mathematical models is measured by comparing the simulated result and the experimental data of the microbial growth and solvent production in batch system. Low values of Root Mean-Square Error (RMSE) of stochastic models with aftereffect indicate good fits.

  1. [Hydroxycinnamic acid levels of various batches from mugwort flowering tops].

    PubMed

    Fraisse, D; Carnat, A; Carnat, A-P; Guédon, D; Lamaison, J-L

    2003-07-01

    Dried flowering tops of 24 harvested batches (Artemisia vulgaris: 13; Artemisia verlotiorum: 11) and 12 batches of mugwort from commercial origin were examined. The levels of principal compounds averaged respectively: total hydroxycinnamic acids 6.09; 10.29 and 9.13%, chlorogenic acid 0.79; 2.05 and 1.35%, 1,5-dicaffeoylquinic acid 0.51; 4.01 and 1.25%, 3,5-dicaffeoylquinic acid 2.21; 1.25 and 2.60%. Specifications were discussed for an European Pharmacopoeial monography.

  2. Technigalva and other developments in batch hot-dip galvanizing

    NASA Astrophysics Data System (ADS)

    Chen, Z. W.; Kennon, N. F.; See, J. B.; Barter, M. A.

    1992-01-01

    The Technigalva process is a batch hot-dip galvanizing process developed over the past ten years that uses nickel additions for better control of coating structure, especially when galvanizing "reactive" steels containing around 0.1 wt.% Si. Optimization of the process relies on understanding of the role of nickel in the galvanizing reaction and formation of dross. Increasing demand for more environmentally friendly galvanizing processes has helped to lead to development work in batch hot-dip galvanizing on chromatefree passivation, alternative fluxes for using Zn-Al alloys, and process optimization.

  3. Estimation of kinetic rates in batch Thiobacillus ferrooxidans cultures.

    PubMed

    Biagiola, S; Solsona, J; Milocco, R

    2001-11-17

    In this work, the key problem of estimation in bioprocesses when no structural model is available is dealt with. A nonlinear observer-based algorithm is developed in order to estimate kinetic rates in batch bioreactors. The algorithm uses the measurements of biomass concentration and either substrate concentration or redox potential to perform the estimation of the respective specific kinetic rates. For this purpose, a general mathematical model description of the process is provided. The estimation algorithm design is based on a nonlinear reduced-order observer. The observer performance is validated with experimental results on a Thiobacillus ferrooxidans batch culture.

  4. Uptake of contaminants of emerging concern by the bivalves Anodonta californiensis and Corbicula fluminea.

    PubMed

    Ismail, Niveen S; Müller, Claudia E; Morgan, Rachel R; Luthy, Richard G

    2014-08-19

    Uptake of seven contaminants regularly detected in surface waters and spanning a range of hydrophobicities (log D(ow) -1 to 5) was studied for two species of freshwater bivalves, the native mussel Anodonta californiensis and the invasive clam Corbicula fluminea. Batch systems were utilized to determine compound partitioning, and flow-through systems, comparable to environmental conditions in effluent dominated surface waters, were used to determine uptake and depuration kinetics. Uptake of compounds was independent of bivalve type. Log bioconcentration factor (BCF) values were correlated with log D(ow) for nonionized compounds with the highest BCF value obtained for triclocarban (TCC). TCC concentrations were reduced in the water column due to bivalve activity. Anionic compounds with low D(ow) values, i.e., clofibric acid and ibuprofen, were not removed from water, while the organic cation propranolol showed biouptake similar to that of TCC. Batch experiments supported compound uptake patterns observed in flow-through experiments. Contaminant removal from water was observed through accumulation in tissue or settling as excreted pseudofeces or feces. The outcomes of this study indicate the potential utility of bivalve augmentation to improve water quality by removing hydrophobic trace organic compounds found in natural systems.

  5. Thermodynamics of Oligonucleotide Duplex Melting

    ERIC Educational Resources Information Center

    Schreiber-Gosche, Sherrie; Edwards, Robert A.

    2009-01-01

    Melting temperatures of oligonucleotides are useful for a number of molecular biology applications, such as the polymerase chain reaction (PCR). Although melting temperatures are often calculated with simplistic empirical equations, application of thermodynamics provides more accurate melting temperatures and an opportunity for students to apply…

  6. Conservation laws and thermodynamic efficiencies.

    PubMed

    Benenti, Giuliano; Casati, Giulio; Wang, Jiao

    2013-02-15

    We show that generic systems with a single relevant conserved quantity reach the Carnot efficiency in the thermodynamic limit. Such a general result is illustrated by means of a diatomic chain of hard-point elastically colliding particles where the total momentum is the only relevant conserved quantity.

  7. Thermodynamic theory of equilibrium fluctuations

    SciTech Connect

    Mishin, Y.

    2015-12-15

    The postulational basis of classical thermodynamics has been expanded to incorporate equilibrium fluctuations. The main additional elements of the proposed thermodynamic theory are the concept of quasi-equilibrium states, a definition of non-equilibrium entropy, a fundamental equation of state in the entropy representation, and a fluctuation postulate describing the probability distribution of macroscopic parameters of an isolated system. Although these elements introduce a statistical component that does not exist in classical thermodynamics, the logical structure of the theory is different from that of statistical mechanics and represents an expanded version of thermodynamics. Based on this theory, we present a regular procedure for calculations of equilibrium fluctuations of extensive parameters, intensive parameters and densities in systems with any number of fluctuating parameters. The proposed fluctuation formalism is demonstrated by four applications: (1) derivation of the complete set of fluctuation relations for a simple fluid in three different ensembles; (2) fluctuations in finite-reservoir systems interpolating between the canonical and micro-canonical ensembles; (3) derivation of fluctuation relations for excess properties of grain boundaries in binary solid solutions, and (4) derivation of the grain boundary width distribution for pre-melted grain boundaries in alloys. The last two applications offer an efficient fluctuation-based approach to calculations of interface excess properties and extraction of the disjoining potential in pre-melted grain boundaries. Possible future extensions of the theory are outlined.

  8. Recycling, Thermodynamics and Environmental Thrift

    ERIC Educational Resources Information Center

    Berry, R. Stephen

    1972-01-01

    Compares the cost, in terms of thermodynamic potential, of manufacturing automobiles from raw mineral resources or from recycled vehicles, and of the production of extended-life products. Uses this as an example for arguing that new technologies, with efficiencies closer to the theoretical themodynamic minima, are needed if a society is to…

  9. Simulating Metabolism with Statistical Thermodynamics

    PubMed Central

    Cannon, William R.

    2014-01-01

    New methods are needed for large scale modeling of metabolism that predict metabolite levels and characterize the thermodynamics of individual reactions and pathways. Current approaches use either kinetic simulations, which are difficult to extend to large networks of reactions because of the need for rate constants, or flux-based methods, which have a large number of feasible solutions because they are unconstrained by the law of mass action. This report presents an alternative modeling approach based on statistical thermodynamics. The principles of this approach are demonstrated using a simple set of coupled reactions, and then the system is characterized with respect to the changes in energy, entropy, free energy, and entropy production. Finally, the physical and biochemical insights that this approach can provide for metabolism are demonstrated by application to the tricarboxylic acid (TCA) cycle of Escherichia coli. The reaction and pathway thermodynamics are evaluated and predictions are made regarding changes in concentration of TCA cycle intermediates due to 10- and 100-fold changes in the ratio of NAD+:NADH concentrations. Finally, the assumptions and caveats regarding the use of statistical thermodynamics to model non-equilibrium reactions are discussed. PMID:25089525

  10. Thermodynamic properties of gadolinium disilicide

    SciTech Connect

    Lukashenko, G.M.; Polotskaya, R.I.

    1986-11-01

    The authors determine the Gibbs energy, enthalpy, formation heat, and other thermodynamic properties of gadolinium disilicide by measuring the electromotive force in the 830-960 K temperature range in electrolytes consisting of molten tin and various chlorides. The relationship of these properties to crystal structure is briefly discussed.

  11. Thermodynamics of Oligonucleotide Duplex Melting

    ERIC Educational Resources Information Center

    Schreiber-Gosche, Sherrie; Edwards, Robert A.

    2009-01-01

    Melting temperatures of oligonucleotides are useful for a number of molecular biology applications, such as the polymerase chain reaction (PCR). Although melting temperatures are often calculated with simplistic empirical equations, application of thermodynamics provides more accurate melting temperatures and an opportunity for students to apply…

  12. A Simple Statistical Thermodynamics Experiment

    ERIC Educational Resources Information Center

    LoPresto, Michael C.

    2010-01-01

    Comparing the predicted and actual rolls of combinations of both two and three dice can help to introduce many of the basic concepts of statistical thermodynamics, including multiplicity, probability, microstates, and macrostates, and demonstrate that entropy is indeed a measure of randomness, that disordered states (those of higher entropy) are…

  13. Potential Functions in Chemical Thermodynamics

    NASA Astrophysics Data System (ADS)

    Araujo, Roger J.

    1998-11-01

    The first and second laws of thermodynamics are stated in equation form. The equation containing the combined laws is used to identify potential functions appropriate to various sets of constraints. An ion-exchange reaction and a redox reaction in a melt are considered as illustrations of the importance of using the potential function appropriate to the constraints.

  14. Microscopic Models for Chemical Thermodynamics

    NASA Astrophysics Data System (ADS)

    Malyshev, V. A.

    2005-06-01

    We introduce an infinite particle system dynamics, which includes stochastic chemical kinetics models, the classical Kac model and free space movement. We study energy redistribution between two energy types (kinetic and chemical) in different time scales, similar to energy redistribution in the living cell. One example is considered in great detail, where the model provides main formulas of chemical thermodynamics.

  15. Analogy between Thermodynamics and Mechanics.

    ERIC Educational Resources Information Center

    Peterson, Mark A.

    1979-01-01

    Establishes and illustrates a formal analogy between the motion of a particle and the "motion" of the equilibrium state of a homogeneous system in a quasistatic process. The purpose is to show that there is a much larger set of natural coordinate transformations in thermodynamics. (GA)

  16. Thermodynamics of random number generation

    NASA Astrophysics Data System (ADS)

    Aghamohammadi, Cina; Crutchfield, James P.

    2017-06-01

    We analyze the thermodynamic costs of the three main approaches to generating random numbers via the recently introduced Information Processing Second Law. Given access to a specified source of randomness, a random number generator (RNG) produces samples from a desired target probability distribution. This differs from pseudorandom number generators (PRNGs) that use wholly deterministic algorithms and from true random number generators (TRNGs) in which the randomness source is a physical system. For each class, we analyze the thermodynamics of generators based on algorithms implemented as finite-state machines, as these allow for direct bounds on the required physical resources. This establishes bounds on heat dissipation and work consumption during the operation of three main classes of RNG algorithms—including those of von Neumann, Knuth, and Yao and Roche and Hoshi—and for PRNG methods. We introduce a general TRNG and determine its thermodynamic costs exactly for arbitrary target distributions. The results highlight the significant differences between the three main approaches to random number generation: One is work producing, one is work consuming, and the other is potentially dissipation neutral. Notably, TRNGs can both generate random numbers and convert thermal energy to stored work. These thermodynamic costs on information creation complement Landauer's limit on the irreducible costs of information destruction.

  17. Simulating metabolism with statistical thermodynamics.

    PubMed

    Cannon, William R

    2014-01-01

    New methods are needed for large scale modeling of metabolism that predict metabolite levels and characterize the thermodynamics of individual reactions and pathways. Current approaches use either kinetic simulations, which are difficult to extend to large networks of reactions because of the need for rate constants, or flux-based methods, which have a large number of feasible solutions because they are unconstrained by the law of mass action. This report presents an alternative modeling approach based on statistical thermodynamics. The principles of this approach are demonstrated using a simple set of coupled reactions, and then the system is characterized with respect to the changes in energy, entropy, free energy, and entropy production. Finally, the physical and biochemical insights that this approach can provide for metabolism are demonstrated by application to the tricarboxylic acid (TCA) cycle of Escherichia coli. The reaction and pathway thermodynamics are evaluated and predictions are made regarding changes in concentration of TCA cycle intermediates due to 10- and 100-fold changes in the ratio of NAD+:NADH concentrations. Finally, the assumptions and caveats regarding the use of statistical thermodynamics to model non-equilibrium reactions are discussed.

  18. A Simple Statistical Thermodynamics Experiment

    ERIC Educational Resources Information Center

    LoPresto, Michael C.

    2010-01-01

    Comparing the predicted and actual rolls of combinations of both two and three dice can help to introduce many of the basic concepts of statistical thermodynamics, including multiplicity, probability, microstates, and macrostates, and demonstrate that entropy is indeed a measure of randomness, that disordered states (those of higher entropy) are…

  19. THERMODYNAMICS USED IN ENVIRONMENTAL ENGINEERING

    EPA Science Inventory

    Thermodynamics is a science in which energy transformations are studied as well as their relationships to the changes in the chemical properties of a system. It is the fundamental basis of many engineering fields. The profession of environmental engineering is no exception. In pa...

  20. Some Considerations about Thermodynamic Cycles

    ERIC Educational Resources Information Center

    da Silva, M. F. Ferreira

    2012-01-01

    After completing their introductory studies on thermodynamics at the university level, typically in a second-year university course, most students show a number of misconceptions. In this work, we identify some of those erroneous ideas and try to explain their origins. We also give a suggestion to attack the problem through a systematic and…

  1. Thermodynamics on the Molality Scale

    ERIC Educational Resources Information Center

    Canagaratna, Sebastian G.; Maheswaran, M.

    2013-01-01

    For physical measurements, the compositions of solutions, especially electrolyte solutions, are expressed in terms of molality rather than mole fractions. The development of the necessary thermodynamic equations directly in terms of molality is not common in textbooks, and the treatment in the literature is not very systematic. We develop a…

  2. Recycling, Thermodynamics and Environmental Thrift

    ERIC Educational Resources Information Center

    Berry, R. Stephen

    1972-01-01

    Compares the cost, in terms of thermodynamic potential, of manufacturing automobiles from raw mineral resources or from recycled vehicles, and of the production of extended-life products. Uses this as an example for arguing that new technologies, with efficiencies closer to the theoretical themodynamic minima, are needed if a society is to…

  3. Thermodynamics on the Molality Scale

    ERIC Educational Resources Information Center

    Canagaratna, Sebastian G.; Maheswaran, M.

    2013-01-01

    For physical measurements, the compositions of solutions, especially electrolyte solutions, are expressed in terms of molality rather than mole fractions. The development of the necessary thermodynamic equations directly in terms of molality is not common in textbooks, and the treatment in the literature is not very systematic. We develop a…

  4. Some Considerations about Thermodynamic Cycles

    ERIC Educational Resources Information Center

    da Silva, M. F. Ferreira

    2012-01-01

    After completing their introductory studies on thermodynamics at the university level, typically in a second-year university course, most students show a number of misconceptions. In this work, we identify some of those erroneous ideas and try to explain their origins. We also give a suggestion to attack the problem through a systematic and…

  5. THERMODYNAMICS USED IN ENVIRONMENTAL ENGINEERING

    EPA Science Inventory

    Thermodynamics is a science in which energy transformations are studied as well as their relationships to the changes in the chemical properties of a system. It is the fundamental basis of many engineering fields. The profession of environmental engineering is no exception. In pa...

  6. NOTE: The specific uptake size index for quantifying radiopharmaceutical uptake

    NASA Astrophysics Data System (ADS)

    Fleming, John S.; Bolt, Livia; Stratford, Jennifer S.; Kemp, Paul M.

    2004-07-01

    Quantitative indices of radionuclide uptake in an object of interest provide a useful adjunct to qualitative interpretation in the diagnostic application of radionuclide imaging. This note describes a new measure of total uptake of an organ, the specific uptake size index (SUSI). It can either be related in absolute terms to the total activity injected or to the specific activity in a reference region. As it depends on the total activity in the object, the value obtained will not depend on the resolution of the imaging process, as is the case with some other similar quantitative indices. This has been demonstrated in an experiment using simulated images. The application of the index to quantification of dopamine receptor SPECT imaging and parathyroid thyroid subtraction planar scintigraphy is described. The index is considered to be of potential value in reducing variation in quantitative assessment of uptake in objects with applications in all areas of radionuclide imaging.

  7. Possible extended forms of thermodynamic entropy

    NASA Astrophysics Data System (ADS)

    Sasa, Shin-ichi

    2014-01-01

    Thermodynamic entropy is determined by a heat measurement through the Clausius equality. The entropy then formalizes a fundamental limitation of operations by the second law of thermodynamics. The entropy is also expressed as the Shannon entropy of the microscopic degrees of freedom. Whenever an extension of thermodynamic entropy is attempted, we must pay special attention to how its three different aspects just mentioned are altered. In this paper, we discuss possible extensions of the thermodynamic entropy.

  8. Thermodynamics of statistical inference by cells.

    PubMed

    Lang, Alex H; Fisher, Charles K; Mora, Thierry; Mehta, Pankaj

    2014-10-03

    The deep connection between thermodynamics, computation, and information is now well established both theoretically and experimentally. Here, we extend these ideas to show that thermodynamics also places fundamental constraints on statistical estimation and learning. To do so, we investigate the constraints placed by (nonequilibrium) thermodynamics on the ability of biochemical signaling networks to estimate the concentration of an external signal. We show that accuracy is limited by energy consumption, suggesting that there are fundamental thermodynamic constraints on statistical inference.

  9. Solute induced relaxation in glassy polymers: Experimental measurements and nonequilibrium thermodynamic model

    NASA Astrophysics Data System (ADS)

    Minelli, Matteo; Doghieri, Ferruccio

    2014-05-01

    Data for kinetics of mass uptake from vapor sorption experiments in thin glassy polymer samples are here interpreted in terms of relaxation times for volume dilation. To this result, both models from non-equilibrium thermodynamics and from mechanics of volume relaxation contribute. Different kind of sorption experiments have been considered in order to facilitate the direct comparison between kinetics of solute induced volume dilation and corresponding data from process driven by pressure or temperature jumps.

  10. Determination of uranium(VI) sorbed species in calcium silicate hydrate phases: a laser-induced luminescence spectroscopy and batch sorption study.

    PubMed

    Tits, Jan; Geipel, Gerhard; Macé, Nathalie; Eilzer, Manuela; Wieland, Erich

    2011-07-01

    Batch sorption experiments and time-resolved luminescence spectroscopy investigations were carried out to study the U(VI) speciation in calcium silicate hydrates for varying chemical conditions representing both fresh and altered cementitious environments. U(VI) uptake was found to be fast and sorption distribution ratios (R(d) values) were very high indicating strong uptake by the C-S-H phases. In addition a strong dependence of pH and solid composition (Ca:Si mol ratio) was observed. U(VI) luminescence spectroscopy investigations showed that the U(VI) solid speciation continuously changed over a period up to 6 months in contrast to the fast sorption kinetics observed in the batch sorption studies. Decay profile analysis combined with factor analysis of series of spectra of U(VI)-C-S-H suspensions, recorded with increasing delay times, revealed the presence of four luminescent U(VI) species in C-S-H suspensions, in agreement with the batch sorption data. Along with the aqueous UO(2)(OH)(4)(2-) species and a Ca-uranate precipitate, two different sorbed species were identified which are either bound to silanol groups on the surface or incorporated in the interlayer of the C-S-H structure.

  11. Lipid production in batch and fed-batch cultures of Rhodosporidium toruloides from 5 and 6 carbon carbohydrates.

    PubMed

    Wiebe, Marilyn G; Koivuranta, Kari; Penttilä, Merja; Ruohonen, Laura

    2012-05-30

    Microbial lipids are a potential source of bio- or renewable diesel and the red yeast Rhodosporidium toruloides is interesting not only because it can accumulate over 50% of its dry biomass as lipid, but also because it utilises both five and six carbon carbohydrates, which are present in plant biomass hydrolysates. R. toruloides was grown in batch and fed-batch cultures in 0.5 L bioreactors at pH 4 in chemically defined, nitrogen restricted (C/N 40 to 100) media containing glucose, xylose, arabinose, or all three carbohydrates as carbon source. Lipid was extracted from the biomass using chloroform-methanol, measured gravimetrically and analysed by GC. Lipid production was most efficient with glucose (up to 25 g lipid L(-1), 48 to 75% lipid in the biomass, at up to 0.21 g lipid L(-1) h(-1)) as the sole carbon source, but high lipid concentrations were also produced from xylose (36 to 45% lipid in biomass). Lipid production was low (15-19% lipid in biomass) with arabinose as sole carbon source and was lower than expected (30% lipid in biomass) when glucose, xylose and arabinose were provided simultaneously. The presence of arabinose and/or xylose in the medium increased the proportion of palmitic and linoleic acid and reduced the proportion of oleic acid in the fatty acids, compared to glucose-grown cells. High cell densities were obtained in both batch (37 g L(-1), with 49% lipid in the biomass) and fed-batch (35 to 47 g L(-1), with 50 to 75% lipid in the biomass) cultures. The highest proportion of lipid in the biomass was observed in cultures given nitrogen during the batch phase but none with the feed. However, carbohydrate consumption was incomplete when the feed did not contain nitrogen and the highest total lipid and best substrate consumption were observed in cultures which received a constant low nitrogen supply. Lipid production in R. toruloides was lower from arabinose and mixed carbohydrates than from glucose or xylose. Although high biomass and lipid

  12. Batch culture and repeated-batch culture of Cunninghamella bainieri 2A1 for lipid production as a comparative study.

    PubMed

    Dashti, Marjan Ganjali; Abdeshahian, Peyman

    2016-03-01

    This research was performed based on a comparative study on fungal lipid production by a locally isolated strain Cunninghamella bainieri 2A1 in batch culture and repeated-batch culture using a nitrogen-limited medium. Lipid production in the batch culture was conducted to study the effect of different agitation rates on the simultaneous consumption of ammonium tartrate and glucose sources. Lipid production in the repeated-batch culture was studied by considering the effect of harvesting time and harvesting volume of the culture broth on the lipid accumulation. The batch cultivation was carried out in a 500 ml Erlenmeyer flask containing 200 ml of the fresh nitrogen-limited medium. Microbial culture was incubated at 30 °C under different agitation rates of 120, 180 and 250 rpm for 120 h. The repeated-batch culture was performed at three harvesting times of 12, 24 and 48 h using four harvesting cultures of 60%, 70%, 80% and 90%. Experimental results revealed that nitrogen source (ammonium tartrate) was fully utilized by C. bainieri 2A1 within 24 h in all agitation rates tested. It was also observed that a high amount of glucose in culture medium was consumed by C. bainieri 2A1 at 250 rpm agitation speed during the batch fermentation. Similar results showed that the highest lipid concentration of 2.96 g/L was obtained at an agitation rate of 250 rpm at 120 h cultivation time with the maximum lipid productivity of 7.0 × 10(-2) mg/ml/h. On the other hand, experimental results showed that the highest lipid concentration produced in the repeated-batch culture was 3.30 g/L at the first cycle of 48 h harvesting time using 70% harvesting volume, while 0.23 g/L gamma-linolenic acid (GLA) was produced at the last cycle of 48 h harvesting time using 80% harvesting volume.

  13. Octreotide Uptake in Parathyroid Adenoma

    PubMed Central

    Karaçavuş, Seyhan; Kula, Mustafa; Cihan Karaca, Züleyha; Ünlühızarcı, Kürşad; Tutuş, Ahmet; Bayram, Fahri; Çoban, Ganime

    2012-01-01

    The patient with a history of bone pain and muscle weakness, was thought to have oncogenic osteomalacia as a result of biochemical investigations and directed to Nuclear Medicine Department for a whole-body bone scintigraphy and 111In-octreotide scintigraphy. There was no focal pathologic tracer uptake, but generalized marked increase in skeletal uptake on bone scintigraphy. Octreotide scintigraphy showed accumulation of octreotide in the region of the left lobe of the thyroid gland in the neck. Thereafter, parathyroid scintigraphy was performed with technetium-99m labeled metroxy-isobutyl-isonitryl (99mTc-MIB) and MIBI scan demonstrated radiotracer uptake at the same location with octreotide scintigraphy. The patient underwent left inferior parathyroidectomy and histopathology confirmed a parathyroid adenoma. Somatostatin receptor positive parathyroid adenoma may show octreotide uptake. Octreotide scintigraphy may be promising and indicate a possibility of using somatostatin analogues for the medical treatment of somatostatin receptor positive Conflict of interest:None declared. PMID:23487397

  14. Thermodynamics and statistical mechanics. [thermodynamic properties of gases

    NASA Technical Reports Server (NTRS)

    1976-01-01

    The basic thermodynamic properties of gases are reviewed and the relations between them are derived from the first and second laws. The elements of statistical mechanics are then formulated and the partition function is derived. The classical form of the partition function is used to obtain the Maxwell-Boltzmann distribution of kinetic energies in the gas phase and the equipartition of energy theorem is given in its most general form. The thermodynamic properties are all derived as functions of the partition function. Quantum statistics are reviewed briefly and the differences between the Boltzmann distribution function for classical particles and the Fermi-Dirac and Bose-Einstein distributions for quantum particles are discussed.

  15. Thermodynamics and statistical mechanics. [thermodynamic properties of gases

    NASA Technical Reports Server (NTRS)

    1976-01-01

    The basic thermodynamic properties of gases are reviewed and the relations between them are derived from the first and second laws. The elements of statistical mechanics are then formulated and the partition function is derived. The classical form of the partition function is used to obtain the Maxwell-Boltzmann distribution of kinetic energies in the gas phase and the equipartition of energy theorem is given in its most general form. The thermodynamic properties are all derived as functions of the partition function. Quantum statistics are reviewed briefly and the differences between the Boltzmann distribution function for classical particles and the Fermi-Dirac and Bose-Einstein distributions for quantum particles are discussed.

  16. Comparison of neptunium sorption results using batch and column techniques

    SciTech Connect

    Triay, I.R.; Furlano, A.C.; Weaver, S.C.; Chipera, S.J.; Bish, D.L.

    1996-08-01

    We used crushed-rock columns to study the sorption retardation of neptunium by zeolitic, devitrified, and vitric tuffs typical of those at the site of the potential high-level nuclear waste repository at Yucca Mountain, Nevada. We used two sodium bicarbonate waters (groundwater from Well J-13 at the site and water prepared to simulate groundwater from Well UE-25p No. 1) under oxidizing conditions. It was found that values of the sorption distribution coefficient, Kd, obtained from these column experiments under flowing conditions, regardless of the water or the water velocity used, agreed well with those obtained earlier from batch sorption experiments under static conditions. The batch sorption distribution coefficient can be used to predict the arrival time for neptunium eluted through the columns. On the other hand, the elution curves showed dispersivity, which implies that neptunium sorption in these tuffs may be nonlinear, irreversible, or noninstantaneous. As a result, use of a batch sorption distribution coefficient to calculate neptunium transport through Yucca Mountain tuffs would yield conservative values for neptunium release from the site. We also noted that neptunium (present as the anionic neptunyl carbonate complex) never eluted prior to tritiated water, which implies that charge exclusion does not appear to exclude neptunium from the tuff pores. The column experiments corroborated the trends observed in batch sorption experiments: neptunium sorption onto devitrified and vitric tuffs is minimal and sorption onto zeolitic tuffs decreases as the amount of sodium and bicarbonate/carbonate in the water increases.

  17. Adaptation to high throughput batch chromatography enhances multivariate screening.

    PubMed

    Barker, Gregory A; Calzada, Joseph; Herzer, Sibylle; Rieble, Siegfried

    2015-09-01

    High throughput process development offers unique approaches to explore complex process design spaces with relatively low material consumption. Batch chromatography is one technique that can be used to screen chromatographic conditions in a 96-well plate. Typical batch chromatography workflows examine variations in buffer conditions or comparison of multiple resins in a given process, as opposed to the assessment of protein loading conditions in combination with other factors. A modification to the batch chromatography paradigm is described here where experimental planning, programming, and a staggered loading approach increase the multivariate space that can be explored with a liquid handling system. The iterative batch chromatography (IBC) approach is described, which treats every well in a 96-well plate as an individual experiment, wherein protein loading conditions can be varied alongside other factors such as wash and elution buffer conditions. As all of these factors are explored in the same experiment, the interactions between them are characterized and the number of follow-up confirmatory experiments is reduced. This in turn improves statistical power and throughput. Two examples of the IBC method are shown and the impact of the load conditions are assessed in combination with the other factors explored. Copyright © 2015 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

  18. Continuous Cellulosic Bioethanol Fermentation by Cyclic Fed-Batch Cocultivation

    PubMed Central

    Jiang, He-Long; He, Qiang; He, Zhili; Hemme, Christopher L.; Wu, Liyou

    2013-01-01

    Cocultivation of cellulolytic and saccharolytic microbial populations is a promising strategy to improve bioethanol production from the fermentation of recalcitrant cellulosic materials. Earlier studies have demonstrated the effectiveness of cocultivation in enhancing ethanolic fermentation of cellulose in batch fermentation. To further enhance process efficiency, a semicontinuous cyclic fed-batch fermentor configuration was evaluated for its potential in enhancing the efficiency of cellulose fermentation using cocultivation. Cocultures of cellulolytic Clostridium thermocellum LQRI and saccharolytic Thermoanaerobacter pseudethanolicus strain X514 were tested in the semicontinuous fermentor as a model system. Initial cellulose concentration and pH were identified as the key process parameters controlling cellulose fermentation performance in the fixed-volume cyclic fed-batch coculture system. At an initial cellulose concentration of 40 g liter−1, the concentration of ethanol produced with pH control was 4.5-fold higher than that without pH control. It was also found that efficient cellulosic bioethanol production by cocultivation was sustained in the semicontinuous configuration, with bioethanol production reaching 474 mM in 96 h with an initial cellulose concentration of 80 g liter−1 and pH controlled at 6.5 to 6.8. These results suggested the advantages of the cyclic fed-batch process for cellulosic bioethanol fermentation by the cocultures. PMID:23275517

  19. 21 CFR 80.38 - Treatment of batch after certification.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... 21 Food and Drugs 1 2013-04-01 2013-04-01 false Treatment of batch after certification. 80.38 Section 80.38 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL... requesting certification shall maintain storage in such manner as to prevent change in composition until such...

  20. 21 CFR 80.38 - Treatment of batch after certification.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... 21 Food and Drugs 1 2012-04-01 2012-04-01 false Treatment of batch after certification. 80.38 Section 80.38 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL... requesting certification shall maintain storage in such manner as to prevent change in composition until such...

  1. 21 CFR 80.38 - Treatment of batch after certification.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... 21 Food and Drugs 1 2014-04-01 2014-04-01 false Treatment of batch after certification. 80.38 Section 80.38 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL... requesting certification shall maintain storage in such manner as to prevent change in composition until such...

  2. Components for Batch-Fabricated Chip-Scale Atomic Clocks

    DTIC Science & Technology

    2004-12-01

    We describe chip-scale batch-fabricated cesium cells utilizing semiconductor wafer processing, pin transfer of cesium, and silicon/Pyrex anodic ... bonding for cell sealing. Highspeed, single-mode linearly polarized VCSELs emitting at the 133Cs D1 line were fabricated, optimized for low threshold and

  3. 21 CFR 211.188 - Batch production and control records.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... 21 Food and Drugs 4 2011-04-01 2011-04-01 false Batch production and control records. 211.188 Section 211.188 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) DRUGS: GENERAL CURRENT GOOD MANUFACTURING PRACTICE FOR FINISHED PHARMACEUTICALS Records and...

  4. 21 CFR 211.188 - Batch production and control records.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... 21 Food and Drugs 4 2010-04-01 2010-04-01 false Batch production and control records. 211.188 Section 211.188 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES (CONTINUED) DRUGS: GENERAL CURRENT GOOD MANUFACTURING PRACTICE FOR FINISHED PHARMACEUTICALS Records and...

  5. Continuous cellulosic bioethanol fermentation by cyclic fed-batch cocultivation.

    PubMed

    Jiang, He-Long; He, Qiang; He, Zhili; Hemme, Christopher L; Wu, Liyou; Zhou, Jizhong

    2013-03-01

    Cocultivation of cellulolytic and saccharolytic microbial populations is a promising strategy to improve bioethanol production from the fermentation of recalcitrant cellulosic materials. Earlier studies have demonstrated the effectiveness of cocultivation in enhancing ethanolic fermentation of cellulose in batch fermentation. To further enhance process efficiency, a semicontinuous cyclic fed-batch fermentor configuration was evaluated for its potential in enhancing the efficiency of cellulose fermentation using cocultivation. Cocultures of cellulolytic Clostridium thermocellum LQRI and saccharolytic Thermoanaerobacter pseudethanolicus strain X514 were tested in the semicontinuous fermentor as a model system. Initial cellulose concentration and pH were identified as the key process parameters controlling cellulose fermentation performance in the fixed-volume cyclic fed-batch coculture system. At an initial cellulose concentration of 40 g liter(-1), the concentration of ethanol produced with pH control was 4.5-fold higher than that without pH control. It was also found that efficient cellulosic bioethanol production by cocultivation was sustained in the semicontinuous configuration, with bioethanol production reaching 474 mM in 96 h with an initial cellulose concentration of 80 g liter(-1) and pH controlled at 6.5 to 6.8. These results suggested the advantages of the cyclic fed-batch process for cellulosic bioethanol fermentation by the cocultures.

  6. 21 CFR 80.38 - Treatment of batch after certification.

    Code of Federal Regulations, 2010 CFR

    2010-04-01

    ... person requesting certification may use such color additive for the purpose of coloring a food, drug, or... 21 Food and Drugs 1 2010-04-01 2010-04-01 false Treatment of batch after certification. 80.38 Section 80.38 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL...

  7. 21 CFR 80.38 - Treatment of batch after certification.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... person requesting certification may use such color additive for the purpose of coloring a food, drug, or... 21 Food and Drugs 1 2011-04-01 2011-04-01 false Treatment of batch after certification. 80.38 Section 80.38 Food and Drugs FOOD AND DRUG ADMINISTRATION, DEPARTMENT OF HEALTH AND HUMAN SERVICES GENERAL...

  8. Processing TOVS Polar Pathfinder data using the distributed batch controller

    NASA Astrophysics Data System (ADS)

    Duff, James; Salem, Kenneth M.; Schweiger, Axel; Livny, Miron

    1997-09-01

    The distributed batch controller (DBC) supports scientific batch data processing. Batch jobs are distributed by the DBC over a collection of computing resources. Since these resources may be widely scattered the DBC is well suited for collaborative research efforts whose resources may not be centrally located. The DBC provides its users with centralized monitoring and control of distributed batch jobs. Version 1 of the DBC is currently being used by the TOVS Polar Pathfinder project to generate Arctic atmospheric temperature and humidity profiles. Profile generating jobs are distributed and executed by the DBC on workstation clusters located at several sites across the US. This paper describes the data processing requirements of the TOVS Polar Pathfinder project, and how the DBC is being used to meet them. It also describes Version 2 of the DBC. DBC V2 is implemented in Java, and utilizes a number of advanced Java features such as threads and remote method invocation. It incorporates a number of functional enhancements. These include a flexible mechanism supporting interoperation of the DBC with a wider variety of execution resources and an improved user interface.

  9. Many-body approach to the dynamics of batch learning

    NASA Astrophysics Data System (ADS)

    Wong, K. Y. Michael; Li, S.; Tong, Y. W.

    2000-09-01

    Using the cavity method and diagrammatic methods, we model the dynamics of batch learning of restricted sets of examples, widely applicable to general learning cost functions, and fully taking into account the temporal correlations introduced by the recycling of the examples. The approach is illustrated using the Adaline rule learning teacher-generated or random examples.

  10. 27 CFR 19.598 - Dump/batch records.

    Code of Federal Regulations, 2013 CFR

    2013-04-01

    ... Section 19.598 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF THE TREASURY ALCOHOL DISTILLED SPIRITS PLANTS Records and Reports Processing Records § 19.598 Dump/batch records. A proprietor who processes, mixes, or blends spirits in the processing account...

  11. 27 CFR 19.598 - Dump/batch records.

    Code of Federal Regulations, 2014 CFR

    2014-04-01

    ... Section 19.598 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF THE TREASURY ALCOHOL DISTILLED SPIRITS PLANTS Records and Reports Processing Records § 19.598 Dump/batch records. A proprietor who processes, mixes, or blends spirits in the processing account...

  12. 27 CFR 19.598 - Dump/batch records.

    Code of Federal Regulations, 2011 CFR

    2011-04-01

    ... Section 19.598 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF THE TREASURY LIQUORS DISTILLED SPIRITS PLANTS Records and Reports Processing Records § 19.598 Dump/batch records. A proprietor who processes, mixes, or blends spirits in the processing account...

  13. 27 CFR 19.598 - Dump/batch records.

    Code of Federal Regulations, 2012 CFR

    2012-04-01

    ... Section 19.598 Alcohol, Tobacco Products and Firearms ALCOHOL AND TOBACCO TAX AND TRADE BUREAU, DEPARTMENT OF THE TREASURY LIQUORS DISTILLED SPIRITS PLANTS Records and Reports Processing Records § 19.598 Dump/batch records. A proprietor who processes, mixes, or blends spirits in the processing account...

  14. Tier 3 batch system data locality via managed caches

    NASA Astrophysics Data System (ADS)

    Fischer, Max; Giffels, Manuel; Jung, Christopher; Kühn, Eileen; Quast, Günter

    2015-05-01

    Modern data processing increasingly relies on data locality for performance and scalability, whereas the common HEP approaches aim for uniform resource pools with minimal locality, recently even across site boundaries. To combine advantages of both, the High- Performance Data Analysis (HPDA) Tier 3 concept opportunistically establishes data locality via coordinated caches. In accordance with HEP Tier 3 activities, the design incorporates two major assumptions: First, only a fraction of data is accessed regularly and thus the deciding factor for overall throughput. Second, data access may fallback to non-local, making permanent local data availability an inefficient resource usage strategy. Based on this, the HPDA design generically extends available storage hierarchies into the batch system. Using the batch system itself for scheduling file locality, an array of independent caches on the worker nodes is dynamically populated with high-profile data. Cache state information is exposed to the batch system both for managing caches and scheduling jobs. As a result, users directly work with a regular, adequately sized storage system. However, their automated batch processes are presented with local replications of data whenever possible.

  15. Kinetic, isotherm and thermodynamic studies of amaranth dye biosorption from aqueous solution onto water hyacinth leaves.

    PubMed

    Guerrero-Coronilla, Imelda; Morales-Barrera, Liliana; Cristiani-Urbina, Eliseo

    2015-04-01

    The present study explored the kinetics, equilibrium and thermodynamics of amaranth (acid red 27) anionic dye (AD) biosorption to water hyacinth leaves (LEC). The effect of LEC particle size, contact time, solution pH, initial AD concentration and temperature on AD biosorption was studied in batch experiments. AD biosorption increased with rising contact time and initial AD concentration, and with decreasing LEC particle size and solution pH. Pseudo-second-order chemical reaction kinetics provided the best correlation for the experimental data. Isotherm studies showed that the biosorption of AD onto LEC closely follows the Langmuir isotherm, with a maximum biosorption capacity of about 70 mg g(-1). The thermodynamic parameters confirm that AD biosorption by LEC is non-spontaneous and endothermic in nature. Results indicate that LEC is a strong biosorbent capable of effective detoxification of AD-laden wastewaters. Copyright © 2015 Elsevier Ltd. All rights reserved.

  16. PSMA Uptake in Mediastinal Sarcoidosis.

    PubMed

    Ardies, Philip Junior; Gykiere, Pieterjan; Goethals, Lode; De Mey, Johan; De Geeter, Frank; Everaert, Hendrik

    2017-04-01

    Prostate-specific membrane antigen (PSMA) is a cell surface glycoprotein which is frequently overexpressed on prostate cancer cells. Ga-PSMA PET/CT plays an increasing role in prostate cancer management. However, growing evidence suggests increased PSMA uptake in a variety of other malignant tumor entities and in some benign lesions. This report describes PSMA uptake in numerous thoracic lymph nodes in a patient with known mediastinal sarcoidosis. Knowledge and recognition of these possibilities are important to avoid scan misinterpretation.

  17. Thermodynamic optimization under topological constraints

    NASA Astrophysics Data System (ADS)

    Balakumar, Thevika

    Computational thermodynamics is a powerful tool for solving practically important problems including the design of new materials and the analysis of their internal and external stability. This thesis contributes to computational thermodynamics by proposing several practical solutions to eliminate the so-called thermodynamic artifacts rather frequently found in thermodynamic assessments. First, a method is developed to eliminate the artifacts such as inverted miscibility gaps in the liquid phase at high-temperatures and reappearance of the liquid phase at low-temperatures or reappearance of a solid phase at elevated temperatures. This method is based on introducing a sufficiently dense mesh of knots (not related to experimental points utilized in the optimization) and ensuring that specific inequality conditions (topological constraints) governing the appearance of the phase diagram are satisfied in these knots. A feasibility of the approach proposed is exemplified by carrying out a re-optimization of the Mg-Sb system. Generally re-optimization of a system would take months to get the optimized results. Hence, to minimize time needed to get rid of artifacts, two different quick correction methods are developed to eliminate the unrealistic inverted miscibility gap in the liquid phase at elevated temperatures. Both methods employ optimization under topological constraints via controlling the sign of the second derivative of the Gibbs energy. Their applicability is exemplified on the Sn-Zr system. Also, a theoretical study was done on undulate phase boundaries. Usually, an inflection point on a phase boundary is considered as an unambiguous indication that one of the phases participating in the equilibrium is internally unstable, i.e., that it is prone to phase separation. It has been generally assumed that an inflection point may occur only if the thermodynamic model of this phase contains an excess Gibbs energy term. It is shown that in contrast to this assumption

  18. Supercritical fluid thermodynamics from equations of state

    NASA Astrophysics Data System (ADS)

    Giovangigli, Vincent; Matuszewski, Lionel

    2012-03-01

    Supercritical multicomponent fluid thermodynamics are often built from equations of state. We investigate mathematically such a construction of a Gibbsian thermodynamics compatible at low density with that of ideal gas mixtures starting from a pressure law. We further study the structure of chemical production rates obtained from nonequilibrium statistical thermodynamics. As a typical application, we consider the Soave-Redlich-Kwong cubic equation of state and investigate mathematically the corresponding thermodynamics. This thermodynamics is then used to study the stability of H2-O2-N2 mixtures at high pressure and low temperature as well as to illustrate the role of nonidealities in a transcritical H2-O2-N2 flame.

  19. Dynamic simulation and nonlinear control of a rigorous batch reactive distillation.

    PubMed

    Kathel, Prateek; Jana, Amiya K

    2010-01-01

    This work deals with the dynamics and control of a high-purity batch distillation column with chemical reaction. A heterogeneous esterification reaction between the acetic acid and butanol takes place to produce butyl acetate. The process model is formulated considering variable liquid holdup, UNIQUAC model for thermodynamic property predictions, nonlinear Francis weir formula for tray hydraulics, pseudohomogeneous model to represent the reaction kinetics and rigorous energy balance. A structured and simple iterative approach is devised to compute the vapor flows with the fast convergence, under the rigorous energy balance. The representative column is treated with a distillate policy based on which, the lightest product, water is removed as distillate at the starting of production phase. As a consequence, the column gets progressively richer with the main product, butyl acetate. In addition, almost complete conversion of the limiting reactant is achieved. In order to maintain the product purity at the top, a nonlinear generic model controller (GMC) in two different forms has been proposed. Finally, a comparative closed-loop performance is addressed. It is shown that the control scheme, along with the effective distillate strategy, leads to almost complete conversion of ingredients and high-purity products.

  20. SiGe channel deposition by batch epitaxy

    NASA Astrophysics Data System (ADS)

    Reichel, Carsten; Schoenekess, Joerg; Dietel, Andreas; Wasyluk, Joanna; Chow, Yew Tuck; Kammler, Thorsten

    2015-08-01

    Batch epitaxy has been introduced for high volume manufacturing of SiGe channels in order to reduce the cost for this epitaxial process by a factor of 3. Beside cost, SiGe channel deposition by batch epitaxy offers many benefits for manufacturing. The stability of the process and the reduced variability of the SiGe thickness greatly improve the variation of VT. The batch epitaxy process does not show a pattern loading effect for SiGe thickness reducing the complexity for manufacturing significantly. However, since the tool concept is very different to that of the widely used single wafer tools, there are some tool specific issues that need to be managed. The wafer backside is critical for batch epitaxy. A nitride backside facing the front side of the wafer results in a clear degradation of the uniformity and a change of the morphology of the SiGe channel compared to that facing a Si backside. The thermal rounding is more pronounced for the channels deposited in a batch tool for both large and narrow width devices. The device parameters of the large width device are not affected by thermal rounding but the performance of the narrow width device is clearly degraded. The thin SiGe layer at the edge of the channel driven by thermal rounding affects the VT and thus the effective device width. An in-situ etching before SiGe deposition to avoid thermal rounding was not feasible due to defects issues which were induced by the wafer backside. Finally a thermal rounding of the Si by an aggressive H2 bake before SiGe deposition improves the SiGe channel uniformity and recovers the performance degradation of the narrow width device partly.

  1. Modeling batch kinetics and thermodynamics of zinc and cadmium ions removal from waste solutions using synthetic zeolite A.

    PubMed

    El-Kamash, A M; Zaki, A A; El Geleel, M Abed

    2005-12-09

    The sorptive removal of zinc and cadmium ions from aqueous solutions using synthetic zeolite A was investigated. Experiments were carried out as a function of solute concentration and temperature (298-333 K). Several kinetic models were used to test the experimental rate data and to examine the controlling mechanism of the sorption process. Various parameters such as effective diffusion coefficient, activation energy and entropy of activation were evaluated. Equilibrium sorption data were analyzed using Langmuir, Freundlich and Dubinin-Radushkevich (D-R) isotherm models. Of the model tested, both Freundlich and D-R isotherm expressions were found to give better fit to the experimental equilibrium data compared to Langmuir model. The mean free energy is in all cases in the range corresponding to the ion exchange type of sorption. The results indicated that synthetic zeolite A can be used as an efficient ion exchange material for the removal of zinc and cadmium ions from industrial and radioactive wastewaters.

  2. Arsenic Uptake by Hydroxyapatite in the Presence of Fe(II)

    NASA Astrophysics Data System (ADS)

    Sahai, N.; Lee, Y. J.; Xu, H.; Ciardelli, M.

    2005-12-01

    We have examined As(III) and As(V) uptake by hydroxyapatite (HAP) in the absence and presence of the commonly occurring geochemical species, Fe(II), in a system open to the atmosphere and at near-neutral pH. The immediate goal of our project is to develop an inexpensive, efficient remediation method for the acute As contamination problem in well-waters of Bangladesh and Eastern India. Our study also provide a conceptual model system for understanding cation, neutral species and anion uptake by a class of minerals (apatites) capable of multiple substitutions, the effect of co-ions on metal(loid) uptake and the geochemically ubiquitous, but relatively poorly-understood, process of coprecipitation. Batch experiments on HAP suspensions, equilibrated for 24 hours, indicate that As(III) and As(V) uptake is slightly greater in the presence of HAP compared to the control experiment. The addition of Fe(II) significantly improves As(III) and As(V) uptake from solutions, both, without and with HAP suspensions. Analyses of equilibrated solutions and High Resolution Transmission Electron Microscopy of solids formed suggest that precipitation of amorphous FePO4.nH2O nanoparticles (10-20 nm) is mainly responsible for As removal with additional uptake by HAP. The efficiency of the process suggests the potential for an effective remediation strategy of As-contaminated drinking water after it has been withdrawn from the affected well.

  3. Use of an anaerobic sequencing batch reactor for parameter estimation in modelling of anaerobic digestion.

    PubMed

    Batstone, D J; Torrijos, M; Ruiz, C; Schmidt, J E

    2004-01-01

    The model structure in anaerobic digestion has been clarified following publication of the IWA Anaerobic Digestion Model No. 1 (ADM1). However, parameter values are not well known, and uncertainty and variability in the parameter values given is almost unknown. Additionally, platforms for identification of parameters, namely continuous-flow laboratory digesters, and batch tests suffer from disadvantages such as long run times, and difficulty in defining initial conditions, respectively. Anaerobic sequencing batch reactors (ASBRs) are sequenced into fill-react-settle-decant phases, and offer promising possibilities for estimation of parameters, as they are by nature, dynamic in behaviour, and allow repeatable behaviour to establish initial conditions, and evaluate parameters. In this study, we estimated parameters describing winery wastewater (most COD as ethanol) degradation using data from sequencing operation, and validated these parameters using unsequenced pulses of ethanol and acetate. The model used was the ADM1, with an extension for ethanol degradation. Parameter confidence spaces were found by non-linear, correlated analysis of the two main Monod parameters; maximum uptake rate (k(m)), and half saturation concentration (K(S)). These parameters could be estimated together using only the measured acetate concentration (20 points per cycle). From interpolating the single cycle acetate data to multiple cycles, we estimate that a practical "optimal" identifiability could be achieved after two cycles for the acetate parameters, and three cycles for the ethanol parameters. The parameters found performed well in the short term, and represented the pulses of acetate and ethanol (within 4 days of the winery-fed cycles) very well. The main discrepancy was poor prediction of pH dynamics, which could be due to an unidentified buffer with an overall influence the same as a weak base (possibly CaCO3). Based on this work, ASBR systems are effective for parameter

  4. Microdialysis of Soil P: A means to mimic root uptake?

    NASA Astrophysics Data System (ADS)

    Schack-Kirschner, Helmer; Demand, Dominic; Lang, Friederike

    2017-04-01

    Standard procedures to assess P availability in soils are based on batch experiments with various extractants. However, in most soils P nutrition is less limited by bulk stocks but by slow diffusion of phosphate through the soil solution. More comparable to the root's approach is to strip phosphate locally from the solid phase by lowering the soil-solution concentration, which can be achieved by establishing an infinite diffusional sink, such as DGT. An alternative diffusive sampling technique is microdialysis (MD), well established in pharmacokinetics. Briefly, this method uses miniaturized flow-through probes where the perfusate gets in diffusive contact to the external solution by a semipermeable membrane. Important aspects of P supply to roots resemble MD sampling. This is not only the mostly diffusive transport, but also an elongated capillary tube-like geometry of absorption. The diameter of typical commercial MD probes is around 500μm. One additional inherent feature of microdialysis is the possibility to release low-molecular substances from the perfusate by diffusion into the matrix, such as carboxylates. However, microdialysis has yet not been used for P in soils. We tested microdialysis in topsoils of an acid beech forest, of an unfertilized grassland and of a fertilized crop site. Three perfusates have been used: 1 mM KNO3, electrolyte + 0.1 mM citric acid, and electrolyte + 1 mM citric acid. We observed rates of uptake into the probes in a range between 1.5*10-15 and 6.7*10-14 mol s-1cm-1 in case of no citrate addition. Surprisingly, these uptake rates were mostly independent of the bulk stocks. Citrate addition increased P yields only in the higher concentration but not in the forest soil. The order of magnitude of MD uptake rates from the soil samples matched root-length related uptake rates from other studies. The micro-radial citrate release in MD reflects the processes controlling phosphate mobilization in the rhizosphere better than measurements

  5. The OpenCalphad thermodynamic software interface.

    PubMed

    Sundman, Bo; Kattner, Ursula R; Sigli, Christophe; Stratmann, Matthias; Le Tellier, Romain; Palumbo, Mauro; Fries, Suzana G

    2016-12-01

    Thermodynamic data are needed for all kinds of simulations of materials processes. Thermodynamics determines the set of stable phases and also provides chemical potentials, compositions and driving forces for nucleation of new phases and phase transformations. Software to simulate materials properties needs accurate and consistent thermodynamic data to predict metastable states that occur during phase transformations. Due to long calculation times thermodynamic data are frequently pre-calculated into "lookup tables" to speed up calculations. This creates additional uncertainties as data must be interpolated or extrapolated and conditions may differ from those assumed for creating the lookup table. Speed and accuracy requires that thermodynamic software is fully parallelized and the Open-Calphad (OC) software is the first thermodynamic software supporting this feature. This paper gives a brief introduction to computational thermodynamics and introduces the basic features of the OC software and presents four different application examples to demonstrate its versatility.

  6. Thermodynamic Model of Spatial Memory

    NASA Astrophysics Data System (ADS)

    Kaufman, Miron; Allen, P.

    1998-03-01

    We develop and test a thermodynamic model of spatial memory. Our model is an application of statistical thermodynamics to cognitive science. It is related to applications of the statistical mechanics framework in parallel distributed processes research. Our macroscopic model allows us to evaluate an entropy associated with spatial memory tasks. We find that older adults exhibit higher levels of entropy than younger adults. Thurstone's Law of Categorical Judgment, according to which the discriminal processes along the psychological continuum produced by presentations of a single stimulus are normally distributed, is explained by using a Hooke spring model of spatial memory. We have also analyzed a nonlinear modification of the ideal spring model of spatial memory. This work is supported by NIH/NIA grant AG09282-06.

  7. Thermodynamic constraints on fluctuation phenomena.

    PubMed

    Maroney, O J E

    2009-12-01

    The relationships among reversible Carnot cycles, the absence of perpetual motion machines, and the existence of a nondecreasing globally unique entropy function form the starting point of many textbook presentations of the foundations of thermodynamics. However, the thermal fluctuation phenomena associated with statistical mechanics has been argued to restrict the domain of validity of this basis of the second law of thermodynamics. Here we demonstrate that fluctuation phenomena can be incorporated into the traditional presentation, extending rather than restricting the domain of validity of the phenomenologically motivated second law. Consistency conditions lead to constraints upon the possible spectrum of thermal fluctuations. In a special case this uniquely selects the Gibbs canonical distribution and more generally incorporates the Tsallis distributions. No particular model of microscopic dynamics need be assumed.

  8. The 4th Thermodynamic Principle?

    SciTech Connect

    Montero Garcia, Jose de la Luz; Novoa Blanco, Jesus Francisco

    2007-04-28

    It should be emphasized that the 4th Principle above formulated is a thermodynamic principle and, at the same time, is mechanical-quantum and relativist, as it should inevitably be and its absence has been one of main the theoretical limitations of the physical theory until today.We show that the theoretical discovery of Dimensional Primitive Octet of Matter, the 4th Thermodynamic Principle, the Quantum Hexet of Matter, the Global Hexagonal Subsystem of Fundamental Constants of Energy and the Measurement or Connected Global Scale or Universal Existential Interval of the Matter is that it is possible to be arrived at a global formulation of the four 'forces' or fundamental interactions of nature. The Einstein's golden dream is possible.

  9. Thermodynamic effects on developed cavitation

    NASA Technical Reports Server (NTRS)

    Holl, J. W.; Billet, M. L.; Weir, D. S.

    1975-01-01

    The results of an investigation of thermodynamic effects are presented. Distributions of temperature and pressure in a developed cavity were measured for zero- and quarter-caliber ogives. A semiempirical entrainment theory was developed to correlate the measured temperature depression in the cavity. This theory correlates the maximum temperature depression expressed in dimensionless form as the Jakob number in terms of the dimensionless numbers of Nusselt, Reynolds, Froude, and Peclet, and dimensionless cavity length, L/D. The results show that in general, the temperature depression increases with L/D and temperature and the cavitation number based on measured cavity pressure is a function of L/D for a given model contour, independent of the thermodynamic effect.

  10. A thermodynamic equation of jamming

    NASA Astrophysics Data System (ADS)

    Lu, Kevin; Pirouz Kavehpour, H.

    2008-03-01

    Materials ranging from sand to fire-retardant to toothpaste are considered fragile, able to exhibit both solid and fluid-like properties across the jamming transition. Guided by granular flow experiments, our equation of jammed states is path-dependent, definable at different athermal equilibrium states. The non-equilibrium thermodynamics based on a structural temperature incorporate physical ageing to address the non-exponential, non-Arrhenious relaxation of granular flows. In short, jamming is simply viewed as a thermodynamic transition that occurs to preserve a positive configurational entropy above absolute zero. Without any free parameters, the proposed equation-of-state governs the mechanism of shear-banding and the associated features of shear-softening and thickness-invariance.

  11. A thermodynamic unification of jamming

    NASA Astrophysics Data System (ADS)

    Lu, Kevin; Brodsky, E. E.; Kavehpour, H. P.

    2008-05-01

    Fragile materials ranging from sand to fire retardant to toothpaste are able to exhibit both solid and fluid-like properties across the jamming transition. Unlike ordinary fusion, systems of grains, foams and colloids jam and cease to flow under conditions that still remain unknown. Here, we quantify jamming using a thermodynamic approach by accounting for the structural ageing and the shear-induced compressibility of dry sand. Specifically, the jamming threshold is defined using a non-thermal temperature that measures the `fluffiness' of a granular mixture. The thermodynamic model, cast in terms of pressure, temperature and free volume, also successfully predicts the entropic data of five molecular glasses. Notably, the predicted configurational entropy averts the Kauzmann paradox-an unresolved crisis where the configurational entropy becomes negative-entirely. Without any free parameters, the proposed equation-of-state also governs the mechanism of shear banding and the associated features of shear softening and thickness invariance.

  12. Thermodynamic features of dioxins' adsorption.

    PubMed

    Prisciandaro, Marina; Piemonte, Vincenzo; di Celso, Giuseppe Mazziotti; Ronconi, Silvia; Capocelli, Mauro

    2017-02-15

    In this paper, the six more poisonous species among all congeners of dioxin group are taken into account, and the P-T diagram for each of them is developed. Starting from the knowledge of vapour tensions and thermodynamic parameters, the theoretical adsorption isotherms are calculated according to the Langmuir's model. In particular, the Langmuir isotherm parameters (K and wmax) have been validated through the estimation of the adsorption heat (ΔHads), which varies in the range 20-24kJ/mol, in agreement with literature values. This result will allow to put the thermodynamical basis for a rational design of different process units devoted to dioxins removal. Copyright © 2016 Elsevier B.V. All rights reserved.

  13. Thermodynamics of black plane solution

    NASA Astrophysics Data System (ADS)

    Rodrigues, Manuel E.; Jardim, Deborah F.; Houndjo, Stéphane J. M.; Myrzakulov, Ratbay

    2013-11-01

    We obtain a new phantom black plane solution in D of the Einstein-Maxwell theory coupled with a cosmological constant. We analyse their basic properties, as well as its causal structure, and obtain the extensive and intensive thermodynamic variables, as well as the specific heat and the first law. Through the specific heat and the so-called geometric methods, we analyse in detail their thermodynamic properties, the extreme and phase transition limits, as well as the local and global stabilities of the system. The normal case is shown with an extreme limit and the phantom one with a phase transition only for null mass, which is physically inaccessible. The systems present local and global stabilities for certain values of the entropy density with respect to the electric charge, for the canonical and grand canonical ensembles.

  14. Stochastic thermodynamics with information reservoirs

    NASA Astrophysics Data System (ADS)

    Barato, Andre C.; Seifert, Udo

    2014-10-01

    We generalize stochastic thermodynamics to include information reservoirs. Such information reservoirs, which can be modeled as a sequence of bits, modify the second law. For example, work extraction from a system in contact with a single heat bath becomes possible if the system also interacts with an information reservoir. We obtain an inequality, and the corresponding fluctuation theorem, generalizing the standard entropy production of stochastic thermodynamics. From this inequality we can derive an information processing entropy production, which gives the second law in the presence of information reservoirs. We also develop a systematic linear response theory for information processing machines. For a unicyclic machine powered by an information reservoir, the efficiency at maximum power can deviate from the standard value of 1 /2 . For the case where energy is consumed to erase the tape, the efficiency at maximum erasure rate is found to be 1 /2 .

  15. Thermodynamics of stochastic Turing machines.

    PubMed

    Strasberg, Philipp; Cerrillo, Javier; Schaller, Gernot; Brandes, Tobias

    2015-10-01

    In analogy to Brownian computers we explicitly show how to construct stochastic models which mimic the behavior of a general-purpose computer (a Turing machine). Our models are discrete state systems obeying a Markovian master equation, which are logically reversible and have a well-defined and consistent thermodynamic interpretation. The resulting master equation, which describes a simple one-step process on an enormously large state space, allows us to thoroughly investigate the thermodynamics of computation for this situation. Especially in the stationary regime we can well approximate the master equation by a simple Fokker-Planck equation in one dimension. We then show that the entropy production rate at steady state can be made arbitrarily small, but the total (integrated) entropy production is finite and grows logarithmically with the number of computational steps.

  16. Chemical thermodynamics and indifferent states

    NASA Astrophysics Data System (ADS)

    Samuilov, E. V.

    2012-12-01

    A more general procedure to compute the compositions and thermodynamic properties of complex systems, based on which a new modernized version of the TETRAN software was developed, is suggested. A new alternative method to evaluating the possibility of formation of indifferent states in chemically interacting heterogeneous systems based on the above-mentioned procedure is given. The number of free intensive thermodynamic parameters decreases because of the formation of indifferent states. The detailed investigation of the formation of indifferent states in the system consisting of the condensed sodium chloride and atmosphere of vapors formed during the evaporation of this substance is presented as an example. Concrete computations are confirmed by the comparison with the experimental data.

  17. Thermodynamics with Continuous Information Flow

    NASA Astrophysics Data System (ADS)

    Horowitz, Jordan M.; Esposito, Massimiliano

    2014-07-01

    We provide a unified thermodynamic formalism describing information transfers in autonomous as well as nonautonomous systems described by stochastic thermodynamics. We demonstrate how information is continuously generated in an auxiliary system and then transferred to a relevant system that can utilize it to fuel otherwise impossible processes. Indeed, while the joint system satisfies the second law, the entropy balance for the relevant system is modified by an information term related to the mutual information rate between the two systems. We show that many important results previously derived for nonautonomous Maxwell demons can be recovered from our formalism and use a cycle decomposition to analyze the continuous information flow in autonomous systems operating at a steady state. A model system is used to illustrate our findings.

  18. Learning thermodynamics with Boltzmann machines

    NASA Astrophysics Data System (ADS)

    Torlai, Giacomo; Melko, Roger G.

    2016-10-01

    A Boltzmann machine is a stochastic neural network that has been extensively used in the layers of deep architectures for modern machine learning applications. In this paper, we develop a Boltzmann machine that is capable of modeling thermodynamic observables for physical systems in thermal equilibrium. Through unsupervised learning, we train the Boltzmann machine on data sets constructed with spin configurations importance sampled from the partition function of an Ising Hamiltonian at different temperatures using Monte Carlo (MC) methods. The trained Boltzmann machine is then used to generate spin states, for which we compare thermodynamic observables to those computed by direct MC sampling. We demonstrate that the Boltzmann machine can faithfully reproduce the observables of the physical system. Further, we observe that the number of neurons required to obtain accurate results increases as the system is brought close to criticality.

  19. Thermodynamic behaviour of supercritical matter.

    PubMed

    Bolmatov, Dima; Brazhkin, V V; Trachenko, K

    2013-01-01

    Since their discovery in 1822, supercritical fluids have been of enduring interest and have started to be deployed in many important applications. Theoretical understanding of the supercritical state is lacking and is seen to limit further industrial deployment. Here we study thermodynamic properties of the supercritical state and discover that specific heat shows a crossover between two different regimes, an unexpected result in view of currently perceived homogeneity of supercritical state in terms of physical properties. We subsequently formulate a theory of system thermodynamics above the crossover, and find good agreement between calculated and experimental specific heat with no free-fitting parameters. In this theory, energy and heat capacity are governed by the minimal length of the longitudinal mode in the system only, and do not explicitly depend on system-specific structure and interactions. We derive a power law and analyse supercritical scaling exponents in the system above the Frenkel line.

  20. Thermodynamic Stability of Topological Insulators

    NASA Astrophysics Data System (ADS)

    Usanmaz, Demet; Nath, Pinku; Plata, Jose J.; Hart, Gus L. W.; Nardelli, Marco B.; Curtarolo, Stefano; CenterMaterials Genomics Team; G. L. W. Hart Collaboration; M. B. Nardelli Collaboration

    2015-03-01

    Well known three-dimensional TIs such as Bi2Te3,Bi2Se3,Bi2Te2Se, Sb2Te2Se, have been the subject of research due to potential application for spintronic devices. TIs have large bulk band gap and metallic surface states at the special time-reversal-invariant momentum (TRIM) points of the Brillouin zone. These fascinating properties constitute the current carry along the surface and not conduct current through the bulk. Creating heterostructures of TIs has recently been demonstrated to be advantageous for controlling electronic properties. In addition to the importance of the electronic properties of materials, thermodynamic stability is the key for manufacturability of materials. Guided by cluster expansion, we have investigated the thermodynamic stability of TI interfaces.

  1. Dissipation Bound for Thermodynamic Control

    NASA Astrophysics Data System (ADS)

    Machta, Benjamin B.

    2015-12-01

    Biological and engineered systems operate by coupling function to the transfer of heat and/or particles down a thermal or chemical gradient. In idealized deterministically driven systems, thermodynamic control can be exerted reversibly, with no entropy production, as long as the rate of the protocol is made slow compared to the equilibration time of the system. Here we consider fully realizable, entropically driven systems where the control parameters themselves obey rules that are reversible and that acquire directionality in time solely through dissipation. We show that when such a system moves in a directed way through thermodynamic space, it must produce entropy that is on average larger than its generalized displacement as measured by the Fisher information metric. This distance measure is subextensive but cannot be made small by slowing the rate of the protocol.

  2. Thermodynamics of combined cycle plant

    NASA Astrophysics Data System (ADS)

    Crane, R. I.

    The fundamental thermodynamics of power plants including definitions of performance criteria and an introduction to exergy are reviewed, and treatments of simplified performance calculations for the components which form the major building blocks and a gas/steam combined cycle plant are given: the gas turbine, the heat recovery steam generator, and the remainder of the steam plant. Efficiency relationships and energy and exergy analyses of combined cycle plant are presented, with examples. Among the aspects considered are gas turbine performance characteristics and fuels, temperature differences for heat recovery, multiple steam pressures and reheat, supplementary firing and feed water heating. Attention is drawn to points of thermodynamic interest arising from applications of combined cycle plant to repowering of existing steam plant and to combined heat and power (cogeneration); some advances, including coal firing, are also introduced.

  3. Chemical reactions in endoreversible thermodynamics

    NASA Astrophysics Data System (ADS)

    Wagner, Katharina; Hoffmann, Karl Heinz

    2016-01-01

    Endoreversible thermodynamics is a theory for the (approximate) description of thermodynamic non-equilibrium systems, which allows us to capture the ever present irreversibilities of real processes. For instance in heat engines the dissipation due to finite heat transport capabilities, as well as the resulting limitations in the energy fluxes, can be incorporated into the theory. It has thus been very successful in closing the gap between observed and theoretically predicted efficiencies. Here an extension of the theory is provided, with which chemical reactions can be included in the formalism. This opens up a wide field of applications for endoreversible modeling and the investigation of dissipative processes, for instance in fuel cells or batteries.

  4. Thermodynamic geometry of supercooled water

    NASA Astrophysics Data System (ADS)

    May, Helge-Otmar; Mausbach, Peter; Ruppeiner, George

    2015-03-01

    The thermodynamic curvature scalar R is evaluated for supercooled water with a two-state equation of state correlated with the most recent available experimental data. This model assumes a liquid-liquid critical point. Our investigation extends the understanding of the thermodynamic behavior of R considerably. We show that R diverges to -∞ when approaching the assumed liquid-liquid critical point. This limit is consistent with all of the fluid critical point models known so far. In addition, we demonstrate a sign change of R along the liquid-liquid line from negative near the critical point to positive on moving away from the critical point in the low density "ice-like" liquid phase. We also trace out the Widom line in phase space. In addition, we investigate increasing correlation length in supercooled water and compare our results with recent published small angle x-ray scattering measurements.

  5. Nonequilibrium thermodynamics of an interface

    NASA Astrophysics Data System (ADS)

    Savin, Thierry; Schweizer, Marco; Öttinger, Hans Christian

    Interfacial thermodynamics has deep ramifications in understanding the boundary conditions of transport theories. We present a formulation of local equilibrium for interfaces that extends the thermodynamics of the ``dividing surface,'' as introduced by Gibbs, to nonequilibrium settings such as evaporation or condensation. By identifying the precise position of the dividing surface in the interfacial region with a gauge degree of freedom, we exploit gauge-invariance requirements to consistently define the intensive variables for the interface. The model is verified under stringent conditions by employing high-precision nonequilibrium molecular dynamics simulations of a coexisting vapor-liquid Lennard-Jones fluid. We conclude that the interfacial temperature is determined using the surface tension as a ``thermometer,'' and can be significantly different from the temperatures of the adjacent phases.

  6. Thermodynamic constraints on fluctuation phenomena

    NASA Astrophysics Data System (ADS)

    Maroney, O. J. E.

    2009-12-01

    The relationships among reversible Carnot cycles, the absence of perpetual motion machines, and the existence of a nondecreasing globally unique entropy function form the starting point of many textbook presentations of the foundations of thermodynamics. However, the thermal fluctuation phenomena associated with statistical mechanics has been argued to restrict the domain of validity of this basis of the second law of thermodynamics. Here we demonstrate that fluctuation phenomena can be incorporated into the traditional presentation, extending rather than restricting the domain of validity of the phenomenologically motivated second law. Consistency conditions lead to constraints upon the possible spectrum of thermal fluctuations. In a special case this uniquely selects the Gibbs canonical distribution and more generally incorporates the Tsallis distributions. No particular model of microscopic dynamics need be assumed.

  7. Batch and fed-batch simultaneous saccharification and fermentation of primary sludge from pulp and paper mills.

    PubMed

    Mendes, Cátia Vanessa Teixeira; Rocha, Jorge Manuel Dos Santos; de Menezes, Fabrícia Farias; Carvalho, Maria da Graça Videira Sousa

    2016-09-26

    Primary sludge from a Portuguese pulp and paper mill, containing 60% of carbohydrates, and unbleached pulp (as reference material), with 93% of carbohydrates, were used to produce ethanol by simultaneous saccharification and fermentation (SSF). SSF was performed in batch or fed-batch conditions without the need of a pretreatment. Cellic(®) CTec2 was the cellulolytic enzymatic complex used and Saccharomyces cerevisiae (baker's yeast or ATCC 26602 strain) or the thermotolerant yeast Kluyveromyces marxianus NCYC 1426 were employed. Primary sludge was successfully converted to ethanol and the best results in SSF efficiency were obtained with S. cerevisiae. An ethanol concentration of 22.7 g L(-1) was produced using a content of 50 g L(-1) of carbohydrates from primary sludge, in batch conditions, with a global conversion yield of 81% and a production rate of 0.94 g L(-1) h(-1). Fed-batch operation enabled higher solids content (total carbohydrate concentration of 200 g L(-1), equivalent to a consistency of 33%) and a reduction of three-quarters of cellulolytic enzyme load, leading to an ethanol concentration of 40.7 g L(-1), although with lower yield and productivity. Xylitol with a concentration up to 7 g L(-1) was also identified as by-product in the primary sludge bioconversion process.

  8. Batch and continuous (fixed-bed column) biosorption of crystal violet by Artocarpus heterophyllus (jackfruit) leaf powder.

    PubMed

    Saha, Papita Das; Chakraborty, Sagnik; Chowdhury, Shamik

    2012-04-01

    In this study, batch and fixed-bed column experiments were performed to investigate the biosorption potential of Artocarpus heterophyllus (jackfruit) leaf powder (JLP) to remove crystal violet (CV) from aqueous solutions. Batch biosorption studies were carried out as a function of solution pH, contact time, initial dye concentration and temperature. The biosorption equilibrium data showed excellent fit to the Langmuir isotherm model with maximum monolayer biosorption capacity of 43.39 mg g(-1) at pH 7.0, initial dye concentration=50 mg L(-1), temperature=293 K and contact time=120 min. According to Dubinin-Radushkevich (D-R) isotherm model, biosorption of CV by JLP was chemisorption. The biosorption kinetics followed the pseudo-second-order kinetic model. Thermodynamic analysis revealed that biosorption of CV from aqueous solution by JLP was a spontaneous and exothermic process. In order to ascertain the practical applicability of the biosorbent, fixed-bed column studies were also performed. The breakthrough time increased with increasing bed height and decreased with increasing flow rate. The Thomas model as well as the BDST model showed good agreement with the experimental results at all the process parameters studied. It can be concluded that JLP is a promising biosorbent for removal of CV from aqueous solutions. Copyright © 2011 Elsevier B.V. All rights reserved.

  9. Nitrogen Uptake in Spinach

    NASA Astrophysics Data System (ADS)

    Ramirez, J.; VanBenthem, P.

    2013-12-01

    A plant's absorption of nitrogen can be encouraged by a variety of environmental factors, especially the application of fertilizers. As a common limiting factor in plant growth, not up taking enough nitrogen can be a result of an unhealthy plant. Moreover, as farmers seek out methods to increase growth of plants, fertilizers are used as a solution to the issue of nitrogen deficiency to incorporate additional nitrogen from chemical or organic sources, by not using the right fertilizer can greatly affect the plats. The point of this research project is to determine the effect of various fertilizers on the plant growth, and to correlate the measured nitrogen, water and chlorophyll content in spinach leaves. Spinach leaves were used because they are known to quickly uptake chemicals in the environment. The spinach plants were exposed to four different growing parameters, which are referred to as control, ammonium nitrate, MiracleGro , and organic. The spinach was originally placed in nitrogen deficient soil with only 2.2x10 4 weight percent (wt. %) nitrogen. The leaves in the control group were grown in this nitrogen deficient soil without any fertilizer added. Ammomium nitrate and MiracleGro were added to the spinach in the A and MG groups, respectively, and organic chicken stool was used for the O group. By using a spectral imaging system and flame combustion techniques, the chlorophyll content can be related to the nitrogen content in the spinach leaves. In these spinach leaves, nitrogen and chlorophyll content were measured, chlorophyll is a green pigment that plays a crucial role in producing nutrients for green plants. The lack of chlorophyll will allow the plant to become susceptible to diseases, so it is extremely important that the plants have a high content of chlorophyll. The role of nitrogen in chlorophyll is very important and helps in the creation of chlorophyll; therefore it is necessary that an appropriate amount of nitrogen is added for optimal growth

  10. Thermodynamic aspects of therapeutic hypothermia.

    PubMed

    Vanlandingham, Sean C; Kurz, Michael C; Wang, Henry E

    2015-01-01

    Therapeutic hypothermia (TH) is an important treatment for post-cardiac arrest syndrome. Despite its widespread practice, only limited data describe the thermodynamic aspects of heat transfer during TH. This paper reviews the principles of human body heat balance and provides a conceptual model for characterizing heat exchange during TH. The model may provide a framework for computer simulation for improving training in or clinical methods of TH.

  11. Thermodynamic work from operational principles

    NASA Astrophysics Data System (ADS)

    Gallego, R.; Eisert, J.; Wilming, H.

    2016-10-01

    In recent years we have witnessed a concentrated effort to make sense of thermodynamics for small-scale systems. One of the main difficulties is to capture a suitable notion of work that models realistically the purpose of quantum machines, in an analogous way to the role played, for macroscopic machines, by the energy stored in the idealisation of a lifted weight. Despite several attempts to resolve this issue by putting forward specific models, these are far from realistically capturing the transitions that a quantum machine is expected to perform. In this work, we adopt a novel strategy by considering arbitrary kinds of systems that one can attach to a quantum thermal machine and defining work quantifiers. These are functions that measure the value of a transition and generalise the concept of work beyond those models familiar from phenomenological thermodynamics. We do so by imposing simple operational axioms that any reasonable work quantifier must fulfil and by deriving from them stringent mathematical condition with a clear physical interpretation. Our approach allows us to derive much of the structure of the theory of thermodynamics without taking the definition of work as a primitive. We can derive, for any work quantifier, a quantitative second law in the sense of bounding the work that can be performed using some non-equilibrium resource by the work that is needed to create it. We also discuss in detail the role of reversibility and correlations in connection with the second law. Furthermore, we recover the usual identification of work with energy in degrees of freedom with vanishing entropy as a particular case of our formalism. Our mathematical results can be formulated abstractly and are general enough to carry over to other resource theories than quantum thermodynamics.

  12. Thermodynamics of feedback controlled systems

    NASA Astrophysics Data System (ADS)

    Cao, F. J.; Feito, M.

    2009-04-01

    We compute the entropy reduction in feedback controlled systems due to the repeated operation of the controller. This was the lacking ingredient to establish the thermodynamics of these systems, and in particular of Maxwell’s demons. We illustrate some of the consequences of our general results by deriving the maximum work that can be extracted from isothermal feedback controlled systems. As a case example, we finally study a simple system that performs an isothermal information-fueled particle pumping.

  13. Thermodynamic functions of arsenic selenides

    NASA Astrophysics Data System (ADS)

    Babanly, D. M.; Velieva, G. M.; Imamaliyeva, S. Z.; Babanly, M. B.

    2017-07-01

    The solid-phase equilibria and thermodynamic properties of an As-Se system are studied using the electromotive force (EMF). The existence of compounds As2Se3, AsSe, and As4Se3 in a system with near constant composition is confirmed. The relative partial molar functions, standard Gibbs free energies, enthalpies of formation, and standard entropies of As in the alloys are calculated using EMF measurements.

  14. Improved Estimates of Thermodynamic Parameters

    NASA Technical Reports Server (NTRS)

    Lawson, D. D.

    1982-01-01

    Techniques refined for estimating heat of vaporization and other parameters from molecular structure. Using parabolic equation with three adjustable parameters, heat of vaporization can be used to estimate boiling point, and vice versa. Boiling points and vapor pressures for some nonpolar liquids were estimated by improved method and compared with previously reported values. Technique for estimating thermodynamic parameters should make it easier for engineers to choose among candidate heat-exchange fluids for thermochemical cycles.

  15. Absorptive thermodynamic apparatus and method

    SciTech Connect

    Kantor, F.W.

    1988-02-02

    This patent describes an absorptive thermodynamic device including an absorber chamber in which a gas is absorbed in an absorbant liquid, a separator chamber having means for conducting heat into a liquid in the chamber to drive the gas out of the liquid, means for pumping the liquid through a closed circuit path including the absorber and separator chambers, and means for conducting from the absorber chamber to the separator chamber heat developed by the absorption of the gas in the liquid.

  16. Nonequilibrium thermodynamics of pressure solution

    NASA Astrophysics Data System (ADS)

    Lehner, F. K.; Bataille, J.

    1984-01-01

    This paper is concerned with the thermodynamic theory of solution and precipitation processes in wet crustal rocks and with the mechanism of steady pressure-solution slip in ‘contact zones,’ such as grain-to-grain contacts, fracture surfaces, and permeable gouge layers, that are infiltrated by a mobile aqueous solution phase. A local dissipation jump condition at the phase boundary is fundamental to identifying the thermodynamic force driving the solution and precipitation process and is used here in setting up linear phenomenological relations to model near-equilibrium phase transformation kinetics. The local thermodynamic equilibrium of a stressed pure solid in contact with its melt or solution phase is governed by Gibbs's relation, which is rederived here, in a manner emphasizing its independence of constitutive assumptions for the solid while neglecting surface tension and diffusion in the solid. Fluid-infiltrated contact zones, such as those formed by rough surfaces, cannot generally be in thermodynamic equilibrium, especially during an ongoing process of pressure-solution slip, and the existing equilibrium formulations are incorrect in overlooking dissipative processes tending to eliminate fluctuations in superficial free energies due to stress concentrations near asperities, defects, or impurities. Steady pressure-solution slip is likely to exhibit a nonlinear dependence of slip rate on shear stress and effective normal stress, due to a dependence of the contact-zone state on the latter. Given that this dependence is negligible within some range, linear relations for pressure-solution slip can be derived for the limiting cases of diffusion-controlled and interface-reaction-controlled rates. A criterion for rate control by one of these mechanisms is set by the magnitude of the dimensionless quantity kδ/2C pD, where k is the interfacial transfer coefficient, δ is the mean diffusion path length, C p is the solubility at pressure p, and D is the mass

  17. Thermodynamics of High Temperature Materials.

    DTIC Science & Technology

    1985-12-24

    Specific Heat: Non-Metallic Solids, In Thormophysical Properties of Matter, The TPRC Data Series, Touloukian , Y.S., and Ho, C.Y. (Eds.), IFI, Plenum, New...heating method. Thermodynamic properties of silicon nitride (a, b) and boron nitride (hex, cub) have been determined to 1300K. Calculational...I. ’Research on Therophy/ical Properties . ......... a. Preliminary Measurements oft -"riple Point Temperature of Graphite 1 i_- ng Technique

  18. Mechanisms of Ocean Heat Uptake

    NASA Astrophysics Data System (ADS)

    Garuba, Oluwayemi

    An important parameter for the climate response to increased greenhouse gases or other radiative forcing is the speed at which heat anomalies propagate downward in the ocean. Ocean heat uptake occurs through passive advection/diffusion of surface heat anomalies and through the redistribution of existing temperature gradients due to circulation changes. Atlantic meridional overturning circulation (AMOC) weakens in a warming climate and this should slow the downward heat advection (compared to a case in which the circulation is unchanged). However, weakening AMOC also causes a deep warming through the redistributive effect, thus increasing the downward rate of heat propagation compared to unchanging circulation. Total heat uptake depends on the combined effect of these two mechanisms. Passive tracers in a perturbed CO2 quadrupling experiments are used to investigate the effect of passive advection and redistribution of temperature anomalies. A new passive tracer formulation is used to separate ocean heat uptake into contributions due to redistribution and passive advection-diffusion of surface heating during an ocean model experiment with abrupt increase in surface temperature. The spatial pattern and mechanisms of each component are examined. With further experiments, the effects of surface wind, salinity and temperature changes in changing circulation and the resulting effect on redistribution in the individual basins are isolated. Analysis of the passive advection and propagation path of the tracer show that the Southern ocean dominates heat uptake, largely through vertical and horizontal diffusion. Vertical diffusion transports the tracer across isopycnals down to about 1000m in 100 years in the Southern ocean. Advection is more important in the subtropical cells and in the Atlantic high latitudes, both with a short time scale of about 20 years. The shallow subtropical cells transport the tracer down to about 500m along isopycnal surfaces, below this vertical

  19. Protein adsorption and transport in dextran-modified ion-exchange media. II. Intraparticle uptake and column breakthrough.

    PubMed

    Bowes, Brian D; Lenhoff, Abraham M

    2011-07-22

    Protein transport behavior was compared for the traditional SP Sepharose Fast Flow and the dextran-modified SP Sepharose XL and Capto S resins. Examination of the dynamic binding capacities (DBCs) revealed a fundamental difference in the balance between transport and equilibrium capacity limitations when comparing the two resin classes, as reflected by differences in the locations of the maximum DBCs as a function of salt. In order to quantitatively compare transport behavior, confocal microscopy and batch uptake experiments were used to obtain estimates of intraparticle protein diffusivities. For the traditional particle, such diffusivity estimates could be used to predict column breakthrough behavior accurately. However, for the dextran-modified media, neither the pore- nor the homogeneous-diffusion model was adequate, as experimental dynamic binding capacities were consistently lower than predicted. In examining the shapes of breakthrough curves, it was apparent that the model predictions failed to capture two features observed for the dextran-modified media, but never seen for the traditional resin. Comparison of estimated effective pore diffusivities from confocal microscopy and batch uptake experiments revealed a discrepancy that led to the hypothesis that protein uptake in the dextran-modified resins could occur with a shrinking-core-like sharp uptake front, but with incomplete saturation. The reason for the incomplete saturation is speculated to be that protein initially fills the dextran layer with inefficient packing, but can rearrange over time to accommodate more protein. A conceptual model was developed to account for the partial shrinking-core uptake to test whether the physical intuition led to predictions consistent with experimental behavior. The model could correctly reproduce the two unique features of the breakthrough curves and, in sample applications, parameters found from the fit of one breakthrough curve could be used to adequately match

  20. Thermodynamics of Oligonucleotide Duplex Melting

    NASA Astrophysics Data System (ADS)

    Schreiber-Gosche, Sherrie; Edwards, Robert A.

    2009-05-01

    Melting temperatures of oligonucleotides are useful for a number of molecular biology applications, such as the polymerase chain reaction (PCR). Although melting temperatures are often calculated with simplistic empirical equations, application of thermodynamics provides more accurate melting temperatures and an opportunity for students to apply rigorous thermodynamic analysis to an important biochemical problem. Because the stacking of base pairs on top of one another is a significant factor in the energetics of oligonucleotide melting, several investigators have applied van't Hoff analysis to melting temperature data using a nearest-neighbor model and have obtained entropies and enthalpies for the stacking of bases. The present article explains how the equilibrium constant for the dissociation of strands from double-stranded oligonucleotides can be expressed in terms of the total strand concentration and thus how the total strand concentration influences the melting temperature. It also presents a simplified analysis based on the entropies and enthalpies of stacking that is manually tractable so that students can work examples to help them understand the thermodynamics of oligonucleotide melting.