Pore scale study of multiphase multicomponent reactive transport during CO2 dissolution trapping

NASA Astrophysics Data System (ADS)

Chen, Li; Wang, Mengyi; Kang, Qinjun; Tao, Wenquan

2018-06-01

Solubility trapping is crucial for permanent CO2 sequestration in deep saline aquifers. For the first time, a pore-scale numerical method is developed to investigate coupled scCO2-water two-phase flow, multicomponent (CO2(aq), H+, HCO3-, CO32- and OH-) mass transport, heterogeneous interfacial dissolution reaction, and homogeneous dissociation reactions. Pore-scale details of evolutions of multiphase distributions and concentration fields are presented and discussed. Time evolutions of several variables including averaged CO2(aq) concentration, scCO2 saturation, and pH value are analyzed. Specific interfacial length, an important variable which cannot be determined but is required by continuum models, is investigated in detail. Mass transport coefficient or efficient dissolution rate is also evaluated. The pore-scale results show strong non-equilibrium characteristics during solubility trapping due to non-uniform distributions of multiphase as well as slow mass transport process. Complicated coupling mechanisms between multiphase flow, mass transport and chemical reactions are also revealed. Finally, effects of wettability are also studied. The pore-scale studies provide deep understanding of non-linear non-equilibrium multiple physicochemical processes during CO2 solubility trapping processes, and also allow to quantitatively predict some important empirical relationships, such as saturation-interfacial surface area, for continuum models.

Laboratory-scale experiments and numerical modeling of cosolvent flushing of multi-component NAPLs in saturated porous media.

PubMed

Agaoglu, Berken; Scheytt, Traugott; Copty, Nadim K

2012-10-01

This study examines the mechanistic processes governing multiphase flow of a water-cosolvent-NAPL system in saturated porous media. Laboratory batch and column flushing experiments were conducted to determine the equilibrium properties of pure NAPL and synthetically prepared NAPL mixtures as well as NAPL recovery mechanisms for different water-ethanol contents. The effect of contact time was investigated by considering different steady and intermittent flow velocities. A modified version of multiphase flow simulator (UTCHEM) was used to compare the multiphase model simulations with the column experiment results. The effect of employing different grid geometries (1D, 2D, 3D), heterogeneity and different initial NAPL saturation configurations was also examined in the model. It is shown that the change in velocity affects the mass transfer rate between phases as well as the ultimate NAPL recovery percentage. The experiments with low flow rate flushing of pure NAPL and the 3D UTCHEM simulations gave similar effluent concentrations and NAPL cumulative recoveries. Model simulations over-estimated NAPL recovery for high specific discharges and rate-limited mass transfer, suggesting a constant mass transfer coefficient for the entire flushing experiment may not be valid. When multi-component NAPLs are present, the dissolution rate of individual organic compounds (namely, toluene and benzene) into the ethanol-water flushing solution is found not to correlate with their equilibrium solubility values. Copyright © 2012 Elsevier B.V. All rights reserved.

Towards a new method for modeling multicomponent, multiphase flow and transport in porous media

NASA Astrophysics Data System (ADS)

Kong, X. Z.; Schaedle, P.; Leal, A. M. M.; Saar, M. O.

2016-12-01

The ability to computationally simulate multiphase-multicomponent fluid flow, coupled with geochemical reactions between fluid species and rock minerals, in porous and/or fractured subsurface systems is of major importance to a vast number of applications. These include (1) carbon dioxide storage in geologic formations, (2) geothermal energy extraction, (3) combinations of the latter two applications during CO2-Plume Geothermal energy extraction, (4) waste fluid and waste storage, as well as (5) groundwater and contaminant transport. Modeling these systems with such a wide variety of coupled physical and chemical processes is both challenging and computationally expensive. In this work we present a new approach to develop a simulator for multicomponent-multiphase flow and reactive transport in porous media by using state of the art numerical tools, namely FEniCS (fenicsproject.org) and Reaktoro (reaktoro.org). The governing partial differential equations for fluid flow and transport are solved using FEniCS, which enables fast and efficient implementation of computer codes for the simulation of complex physical phenomena using finite element methods on unstructured meshes. FEniCS supports a wide range of finite element schemes of special interest to porous media flow. In addition, FEniCS interfaces with many sparse linear solvers and provides convenient tools for adaptive mesh refinement and the capability of massively parallel calculations. A fundamental component of our contribution is the coupling of our FEniCS based flow and transport solver with our chemical reaction simulator, Reaktoro, which implements efficient, robust, and accurate methods for chemical equilibrium and kinetics calculations at every node of the mesh, at every time step. These numerical methods for reaction modeling have been especially developed for performance-critical applications such as reactive transport modeling. Furthermore, Reaktoro is also used for the calculation of thermodynamic properties of rock minerals and fluids. The proposed simulator can, however, be coupled with other back-ends for the calculation of both thermodynamic and thermophysical properties of rock minerals and fluids. We present several example applications of our new approach, demonstrating its capabilities and computation speed.

Lattice Boltzmann simulations of immiscible displacement process with large viscosity ratios

NASA Astrophysics Data System (ADS)

Rao, Parthib; Schaefer, Laura

2017-11-01

Immiscible displacement is a key physical mechanism involved in enhanced oil recovery and carbon sequestration processes. This multiphase flow phenomenon involves a complex interplay of viscous, capillary, inertial and wettability effects. The lattice Boltzmann (LB) method is an accurate and efficient technique for modeling and simulating multiphase/multicomponent flows especially in complex flow configurations and media. In this presentation we present numerical simulation results of displacement process in thin long channels. The results are based on a new psuedo-potential multicomponent LB model with multiple relaxation time collision (MRT) model and explicit forcing scheme. We demonstrate that the proposed model is capable of accurately simulating the displacement process involving fluids with a wider range of viscosity ratios (>100) and which also leads to viscosity-independent interfacial tension and reduction of some important numerical artifacts.

Multiphase, multicomponent simulations and experiments of reactive flow, relevant for combining geologic CO2 sequestration with geothermal energy capture

NASA Astrophysics Data System (ADS)

Saar, Martin O.

2011-11-01

Understanding the fluid dynamics of supercritical carbon dioxide (CO2) in brine- filled porous media is important for predictions of CO2 flow and brine displacement during geologic CO2 sequestration and during geothermal energy capture using sequestered CO2 as the subsurface heat extraction fluid. We investigate multiphase fluid flow in porous media employing particle image velocimetry experiments and lattice-Boltzmann fluid flow simulations at the pore scale. In particular, we are interested in the motion of a drop (representing a CO2 bubble) through an orifice in a plate, representing a simplified porous medium. In addition, we study single-phase/multicomponent reactive transport experimentally by injecting water with dissolved CO2 into rocks/sediments typically considered for CO2 sequestration to investigate how resultant fluid-mineral reactions modify permeability fields. Finally, we investigate numerically subsurface CO2 and heat transport at the geologic formation scale.

Numerical models of caldera deformation: Effects of multiphase and multicomponent hydrothermal fluid flow

USGS Publications Warehouse

Hutnak, M.; Hurwitz, S.; Ingebritsen, S.E.; Hsieh, P.A.

2009-01-01

Ground surface displacement (GSD) in large calderas is often interpreted as resulting from magma intrusion at depth. Recent advances in geodetic measurements of GSD, notably interferometric synthetic aperture radar, reveal complex and multifaceted deformation patterns that often require complex source models to explain the observed GSD. Although hydrothermal fluids have been discussed as a possible deformation agent, very few quantitative studies addressing the effects of multiphase flow on crustal mechanics have been attempted. Recent increases in the power and availability of computing resources allow robust quantitative assessment of the complex time-variant thermal interplay between aqueous fluid flow and crustal deformation. We carry out numerical simulations of multiphase (liquid-gas), multicomponent (H 2O-CO2) hydrothermal fluid flow and poroelastic deformation using a range of realistic physical parameters and processes. Hydrothermal fluid injection, circulation, and gas formation can generate complex, temporally and spatially varying patterns of GSD, with deformation rates, magnitudes, and geometries (including subsidence) similar to those observed in several large calderas. The potential for both rapid and gradual deformation resulting from magma-derived fluids suggests that hydrothermal fluid circulation may help explain deformation episodes at calderas that have not culminated in magmatic eruption.

Experimental Investigation of Gas/Slag/Matte/Tridymite Equilibria in the Cu-Fe-O-S-Si System in Controlled Atmospheres: Development of Technique

NASA Astrophysics Data System (ADS)

Fallah-Mehrjardi, Ata; Hidayat, Taufiq; Hayes, Peter C.; Jak, Evgueni

2017-12-01

The majority of primary pyrometallurgical copper making processes involve the formation of two immiscible liquid phases, i.e., matte product and the slag phase. There are significant gaps and discrepancies in the phase equilibria data of the slag and the matte systems due to issues and difficulties in performing the experiments and phase analysis. The present study aims to develop an improved experimental methodology for accurate characterisation of gas/slag/matte/tridymite equilibria in the Cu-Fe-O-S-Si system under controlled atmospheres. The experiments involve high-temperature equilibration of synthetic mixtures on silica substrates in CO/CO2/SO2/Ar atmospheres, rapid quenching of samples into water, and direct composition measurement of the equilibrium phases using Electron Probe X-ray Microanalysis (EPMA). A four-point-test procedure was applied to ensure the achievement of equilibrium, which included the following: (i) investigation of equilibration as a function of time, (ii) assessment of phase homogeneity, (iii) confirmation of equilibrium by approaching from different starting conditions, and (iv) systematic analysis of the reactions specific to the system. An iterative improved experimental methodology was developed using this four-point-test approach to characterize the complex multi-component, multi-phase equilibria with high accuracy and precision. The present study is a part of a broader overall research program on the characterisation of the multi-component (Cu-Fe-O-S-Si-Al-Ca-Mg), multi-phase (gas/slag/matte/metal/solids) systems with minor elements (Pb, Zn, As, Bi, Sn, Sb, Ag, and Au).

HYDROCARBON SPILL EXPOSURE ASSESSMENT MODELING

EPA Science Inventory

Hydrocarbon spills impact drinking water supplies at down gradient locations. onventional finite difference and finite element models of multiphase, multicomponent flow have extreme requirements for both computer time and site data. ite data and the intent of the modeling often d...

EXPOSURE ASSESSMENT MODELING FOR HYDROCARBON SPILLS INTO THE SUBSURFACE

EPA Science Inventory

Hydrocarbons which enter the subsurface through spills or leaks may create serious, long-lived ground-water contamination problems. onventional finite difference and finite element models of multiphase, multicomponent flow often have extreme requirements for both computer time an...

Algebraic multigrid preconditioners for two-phase flow in porous media with phase transitions [Algebraic multigrid preconditioners for multiphase flow in porous media with phase transitions

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

Bui, Quan M.; Wang, Lu; Osei-Kuffuor, Daniel

Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear system resulting from the discretization of the partial differential equations modeling the flow. In the case of multiphase multicomponent flow with miscible effect, this is a very challenging task. The problem becomes even more difficult if phase transitions are taken into account. A new approach to handle phase transitions is to formulate the system as a nonlinear complementarity problem (NCP). Unlike in the primary variable switchingmore » technique, the set of primary variables in this approach is fixed even when there is phase transition. Not only does this improve the robustness of the nonlinear solver, it opens up the possibility to use multigrid methods to solve the resulting linear system. The disadvantage of the complementarity approach, however, is that when a phase disappears, the linear system has the structure of a saddle point problem and becomes indefinite, and current algebraic multigrid (AMG) algorithms cannot be applied directly. In this study, we explore the effectiveness of a new multilevel strategy, based on the multigrid reduction technique, to deal with problems of this type. We demonstrate the effectiveness of the method through numerical results for the case of two-phase, two-component flow with phase appearance/disappearance. In conclusion, we also show that the strategy is efficient and scales optimally with problem size.« less

Algebraic multigrid preconditioners for two-phase flow in porous media with phase transitions [Algebraic multigrid preconditioners for multiphase flow in porous media with phase transitions

DOE PAGES

Bui, Quan M.; Wang, Lu; Osei-Kuffuor, Daniel

2018-02-06

Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear system resulting from the discretization of the partial differential equations modeling the flow. In the case of multiphase multicomponent flow with miscible effect, this is a very challenging task. The problem becomes even more difficult if phase transitions are taken into account. A new approach to handle phase transitions is to formulate the system as a nonlinear complementarity problem (NCP). Unlike in the primary variable switchingmore » technique, the set of primary variables in this approach is fixed even when there is phase transition. Not only does this improve the robustness of the nonlinear solver, it opens up the possibility to use multigrid methods to solve the resulting linear system. The disadvantage of the complementarity approach, however, is that when a phase disappears, the linear system has the structure of a saddle point problem and becomes indefinite, and current algebraic multigrid (AMG) algorithms cannot be applied directly. In this study, we explore the effectiveness of a new multilevel strategy, based on the multigrid reduction technique, to deal with problems of this type. We demonstrate the effectiveness of the method through numerical results for the case of two-phase, two-component flow with phase appearance/disappearance. In conclusion, we also show that the strategy is efficient and scales optimally with problem size.« less

Finite-deformation phase-field chemomechanics for multiphase, multicomponent solids

NASA Astrophysics Data System (ADS)

Svendsen, Bob; Shanthraj, Pratheek; Raabe, Dierk

2018-03-01

The purpose of this work is the development of a framework for the formulation of geometrically non-linear inelastic chemomechanical models for a mixture of multiple chemical components diffusing among multiple transforming solid phases. The focus here is on general model formulation. No specific model or application is pursued in this work. To this end, basic balance and constitutive relations from non-equilibrium thermodynamics and continuum mixture theory are combined with a phase-field-based description of multicomponent solid phases and their interfaces. Solid phase modeling is based in particular on a chemomechanical free energy and stress relaxation via the evolution of phase-specific concentration fields, order-parameter fields (e.g., related to chemical ordering, structural ordering, or defects), and local internal variables. At the mixture level, differences or contrasts in phase composition and phase local deformation in phase interface regions are treated as mixture internal variables. In this context, various phase interface models are considered. In the equilibrium limit, phase contrasts in composition and local deformation in the phase interface region are determined via bulk energy minimization. On the chemical side, the equilibrium limit of the current model formulation reduces to a multicomponent, multiphase, generalization of existing two-phase binary alloy interface equilibrium conditions (e.g., KKS). On the mechanical side, the equilibrium limit of one interface model considered represents a multiphase generalization of Reuss-Sachs conditions from mechanical homogenization theory. Analogously, other interface models considered represent generalizations of interface equilibrium conditions consistent with laminate and sharp-interface theory. In the last part of the work, selected existing models are formulated within the current framework as special cases and discussed in detail.

Unconditionally energy stable time stepping scheme for Cahn–Morral equation: Application to multi-component spinodal decomposition and optimal space tiling

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

Tavakoli, Rouhollah, E-mail: rtavakoli@sharif.ir

An unconditionally energy stable time stepping scheme is introduced to solve Cahn–Morral-like equations in the present study. It is constructed based on the combination of David Eyre's time stepping scheme and Schur complement approach. Although the presented method is general and independent of the choice of homogeneous free energy density function term, logarithmic and polynomial energy functions are specifically considered in this paper. The method is applied to study the spinodal decomposition in multi-component systems and optimal space tiling problems. A penalization strategy is developed, in the case of later problem, to avoid trivial solutions. Extensive numerical experiments demonstrate themore » success and performance of the presented method. According to the numerical results, the method is convergent and energy stable, independent of the choice of time stepsize. Its MATLAB implementation is included in the appendix for the numerical evaluation of algorithm and reproduction of the presented results. -- Highlights: •Extension of Eyre's convex–concave splitting scheme to multiphase systems. •Efficient solution of spinodal decomposition in multi-component systems. •Efficient solution of least perimeter periodic space partitioning problem. •Developing a penalization strategy to avoid trivial solutions. •Presentation of MATLAB implementation of the introduced algorithm.« less

MICHIGAN SOIL VAPOR EXTRACTION REMEDIATION (MISER) MODEL: A COMPUTER PROGRAM TO MODEL SOIL VAPORT EXTRACTION AND BIOVENTING OF ORGANIC MATERIALS IN UNSATURATED GEOLOGICAL MATERIAL

EPA Science Inventory

This report describes the formulation, numerical development, and use of a multiphase, multicomponent, biodegradation model designed to simulate physical, chemical, and biological interactions occurring primarily in field scale soil vapor extraction (SVE) and bioventing (B...

Application of a new multiphase multicomponent volcanic conduit model with magma degassing and crystallization to Stromboli volcano.

NASA Astrophysics Data System (ADS)

La Spina, Giuseppe; Burton, Mike; de'Michieli Vitturi, Mattia

2014-05-01

Volcanoes exhibit a wide range of eruption styles, from relatively slow effusive eruptions, generating lava flows and lava domes, to explosive eruptions, in which very large volumes of fragmented magma and volcanic gas are ejected high into the atmosphere. During an eruption, much information regarding the magma ascent dynamics can be gathered: melt and exsolved gas composition, crystal content, mass flow rate and ballistic velocities, to name just a few. Due to the lack of direct observations of the conduit itself, mathematical models for magma ascent provide invaluable tools for a better comprehension of the system. The complexity of the multiphase multicomponent gas-magma-solid system is reflected in the corresponding mathematical model; a set of non-linear hyperbolic partial differential and constitutive equations, which describe the physical system, has to be formulated and solved. The standard approach to derive governing equations for two-phase flow is based on averaging procedures, which leads to a system of governing equations in the form of mass, momentum and energy balance laws for each phase coupled with algebraic and differential source terms which represent phase interactions. For this work, we used the model presented by de' Michieli Vitturi et al. (EGU General Assembly Conference Abstracts, 2013), where a different approach based on the theory of thermodynamically compatible systems has been adopted to write the governing multiphase equations for two-phase compressible flow (with two velocities and two pressures) in the form of a conservative hyperbolic system of partial differential equations, coupled with non-differential source terms. Here, in order to better describe the multicomponent nature of the system, we extended the model adding several transport equations to the system for different crystal components and different gas species, and implementing appropriate equations of state. The constitutive equations of the model are chosen to reproduce both effusive and explosive eruptive activities at Stromboli volcano. Three different crystal components (olivine, pyroxene and feldspar) and two different gas species (water and carbon dioxide) are taken into account. The equilibrium profiles of crystallization as function of pressure, temperature and water content are modeled using the numerical codes AlphaMELTS and DAKOTA. The equilibrium of dissolved gas content, instead, is obtained using a non-linear fitting of data computed using VolatileCALC. With these data, we simulate numerically the lava effusion that occurred at Stromboli between 27 February and 2 April 2007, and find good agreement with the observed data (vesicularity, exsolved gas composition, crystal content and mass flow rate) at the vent. We find that the model is highly sensitive to input magma temperature, going from effusive to explosive eruption with temperature changes by just 20 °C. We thoroughly investigated through a sensitivity analysis the control of the temperature of magma chamber and of the radius of the conduit on the mass flow rate, obtaining also a set of admissible temperatures and conduit radii that produce results in agreement with the real observations.

Algebraic multigrid preconditioners for two-phase flow in porous media with phase transitions

NASA Astrophysics Data System (ADS)

Bui, Quan M.; Wang, Lu; Osei-Kuffuor, Daniel

2018-04-01

Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear system resulting from the discretization of the partial differential equations modeling the flow. In the case of multiphase multicomponent flow with miscible effect, this is a very challenging task. The problem becomes even more difficult if phase transitions are taken into account. A new approach to handle phase transitions is to formulate the system as a nonlinear complementarity problem (NCP). Unlike in the primary variable switching technique, the set of primary variables in this approach is fixed even when there is phase transition. Not only does this improve the robustness of the nonlinear solver, it opens up the possibility to use multigrid methods to solve the resulting linear system. The disadvantage of the complementarity approach, however, is that when a phase disappears, the linear system has the structure of a saddle point problem and becomes indefinite, and current algebraic multigrid (AMG) algorithms cannot be applied directly. In this study, we explore the effectiveness of a new multilevel strategy, based on the multigrid reduction technique, to deal with problems of this type. We demonstrate the effectiveness of the method through numerical results for the case of two-phase, two-component flow with phase appearance/disappearance. We also show that the strategy is efficient and scales optimally with problem size.

Fugacity and concentration gradients in a gravity field

NASA Technical Reports Server (NTRS)

May, C. E.

1986-01-01

Equations are reviewed which show that at equilibrium fugacity and concentration gradients can exist in gravitational fields. At equilibrium, the logarithm of the ratio of the fugacities of a species at two different locations in a gravitational field is proportional to the difference in the heights of the two locations and the molecular weight of the species. An analogous relation holds for the concentration ratios in a multicomponent system. The ratio is calculated for a variety of examples. The kinetics for the general process are derived, and the time required to approach equilibrium is calculated for several systems. The following special topics are discussed: ionic solutions, polymers, multiphase systems, hydrostatic pressure, osmotic pressure, and solubility gradients in a gravity field.

Physical and technological principles of designing layer-gradient multicomponent surfaces by combining the methods of ion-diffusion saturation and magnetron- and vacuum-arc deposition

NASA Astrophysics Data System (ADS)

Savostikov, V. M.; Potekaev, A. I.; Tabachenko, A. N.

2011-12-01

Using a technological system proposed by the authors, a combined process is developed for formation of stratified-gradient surface layers and multicomponent coatings. It is implemented under the conditions of a combined serial-parallel operation of a hot-cathode gas plasma generator and a duomagnetron with two targets and two electric-arc evaporators. The extended functional potential is ensured by using advanced multi-element and multi-phase cathode targets made of borides, carbides, silicides, and sulfides of metals produced by the SHS-process followed by their immediate compaction. The variations in composition, structure, and physicomechanical properties in the cross-section of the stratified-gradient surface layers and coating is provided by a predetermined alternating replacement of the sputtered cathode targets of the plasma sources, the plasma flow intensity ratios, and variation in the particle energy incident on the substrate, which is determined by the accelerating voltage on the substrate.

Parallel Grand Canonical Monte Carlo (ParaGrandMC) Simulation Code

NASA Technical Reports Server (NTRS)

Yamakov, Vesselin I.

2016-01-01

This report provides an overview of the Parallel Grand Canonical Monte Carlo (ParaGrandMC) simulation code. This is a highly scalable parallel FORTRAN code for simulating the thermodynamic evolution of metal alloy systems at the atomic level, and predicting the thermodynamic state, phase diagram, chemical composition and mechanical properties. The code is designed to simulate multi-component alloy systems, predict solid-state phase transformations such as austenite-martensite transformations, precipitate formation, recrystallization, capillary effects at interfaces, surface absorption, etc., which can aid the design of novel metallic alloys. While the software is mainly tailored for modeling metal alloys, it can also be used for other types of solid-state systems, and to some degree for liquid or gaseous systems, including multiphase systems forming solid-liquid-gas interfaces.

DEVELOPMENT OF MULTI-PHASE AND MULTI-COMPONENT FLOW MODEL WITH REACTION IN POROUS MEDIA FOR RISK ASSESSMENT ON SOIL CONTAMINATION DUE TO MINERAL OIL

NASA Astrophysics Data System (ADS)

Sakamoto, Yasuhide; Nishiwaki, Junko; Hara, Junko; Kawabe, Yoshishige; Sugai, Yuichi; Komai, Takeshi

In late years, soil contamination due to mineral oil in vacant lots of oil factory and oil field has become obvious. Measure for soil contamina tion and risk assessment are neces sary for sustainable development of industrial activity. Especially, in addition to contaminated sites, various exposure paths for human body such as well water, soil and farm crop are supposed. So it is very important to comprehend the transport phenomena of contaminated material under the environments of soil and ground water. In this study, mineral oil as c ontaminated material consisting of mu lti-component such as aliphatic and aromatic series was modeled. Then numerical mode l for transport phenomena in surface soil and aquifer was constructed. On the basis of modeling for mineral oil, our numerical model consists of three-phase (oil, water and gas) forty three-component. This numerical model becomes base program for risk assessment system on soil contamination due to mineral oil. Using this numerical model, we carried out some numerical simulation for a laboratory-scale experiment on oil-water multi-phase flow. Relative permeability that dominate flow behavior in multi-phase condition was formulated and the validity of the numerical model developed in this study was considered.

TOUGHREACT: a new code of the TOUGH Family for Non-Isothermal multiphase reactive geochemical transport in variably saturated geologic media

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

Xu, Tianfu; Sonnenthal, Eric; Spycher, Nicolas

Coupled modeling of subsurface multiphase fluid and heat flow, solute transport and chemical reactions can be used for the assessment of acid mine drainage remediation, waste disposal sites, hydrothermal convection, contaminant transport, and groundwater quality. We have developed a comprehensive numerical simulator, TOUGHREACT, which considers non-isothermal multi-component chemical transport in both liquid and gas phases. A wide range of subsurface thermo-physical-chemical processes is considered under various thermohydrological and geochemical conditions of pressure, temperature, water saturation, and ionic strength. The code can be applied to one-, two- or three-dimensional porous and fractured media with physical and chemical heterogeneity.

Transition point prediction in a multicomponent lattice Boltzmann model: Forcing scheme dependencies

NASA Astrophysics Data System (ADS)

Küllmer, Knut; Krämer, Andreas; Joppich, Wolfgang; Reith, Dirk; Foysi, Holger

2018-02-01

Pseudopotential-based lattice Boltzmann models are widely used for numerical simulations of multiphase flows. In the special case of multicomponent systems, the overall dynamics are characterized by the conservation equations for mass and momentum as well as an additional advection diffusion equation for each component. In the present study, we investigate how the latter is affected by the forcing scheme, i.e., by the way the underlying interparticle forces are incorporated into the lattice Boltzmann equation. By comparing two model formulations for pure multicomponent systems, namely the standard model [X. Shan and G. D. Doolen, J. Stat. Phys. 81, 379 (1995), 10.1007/BF02179985] and the explicit forcing model [M. L. Porter et al., Phys. Rev. E 86, 036701 (2012), 10.1103/PhysRevE.86.036701], we reveal that the diffusion characteristics drastically change. We derive a generalized, potential function-dependent expression for the transition point from the miscible to the immiscible regime and demonstrate that it is shifted between the models. The theoretical predictions for both the transition point and the mutual diffusion coefficient are validated in simulations of static droplets and decaying sinusoidal concentration waves, respectively. To show the universality of our analysis, two common and one new potential function are investigated. As the shift in the diffusion characteristics directly affects the interfacial properties, we additionally show that phenomena related to the interfacial tension such as the modeling of contact angles are influenced as well.

Long residence times of rapidly decomposable soil organic matter: application of a multi-phase, multi-component, and vertically-resolved model (TOUGHREACTv1) to soil carbon dynamics

NASA Astrophysics Data System (ADS)

Riley, W. J.; Maggi, F. M.; Kleber, M.; Torn, M. S.; Tang, J. Y.; Dwivedi, D.; Guerry, N.

2014-01-01

Accurate representation of soil organic matter (SOM) dynamics in Earth System Models is critical for future climate prediction, yet large uncertainties exist regarding how, and to what extent, the suite of proposed relevant mechanisms should be included. To investigate how various mechanisms interact to influence SOM storage and dynamics, we developed a SOM reaction network integrated in a one-dimensional, multi-phase, and multi-component reactive transport solver. The model includes representations of bacterial and fungal activity, multiple archetypal polymeric and monomeric carbon substrate groups, aqueous chemistry, aqueous advection and diffusion, gaseous diffusion, and adsorption (and protection) and desorption from the soil mineral phase. The model predictions reasonably matched observed depth-resolved SOM and dissolved organic carbon (DOC) stocks in grassland ecosystems as well as lignin content and fungi to aerobic bacteria ratios. We performed a suite of sensitivity analyses under equilibrium and dynamic conditions to examine the role of dynamic sorption, microbial assimilation rates, and carbon inputs. To our knowledge, observations do not exist to fully test such a complicated model structure or to test the hypotheses used to explain observations of substantial storage of very old SOM below the rooting depth. Nevertheless, we demonstrated that a reasonable combination of sorption parameters, microbial biomass and necromass dynamics, and advective transport can match observations without resorting to an arbitrary depth-dependent decline in SOM turnover rates, as is often done. We conclude that, contrary to assertions derived from existing turnover time based model formulations, observed carbon content and δ14C vertical profiles are consistent with a representation of SOM dynamics consisting of (1) carbon compounds without designated intrinsic turnover times, (2) vertical aqueous transport, and (3) dynamic protection on mineral surfaces.

Long residence times of rapidly decomposable soil organic matter: application of a multi-phase, multi-component, and vertically resolved model (BAMS1) to soil carbon dynamics

NASA Astrophysics Data System (ADS)

Riley, W. J.; Maggi, F.; Kleber, M.; Torn, M. S.; Tang, J. Y.; Dwivedi, D.; Guerry, N.

2014-07-01

Accurate representation of soil organic matter (SOM) dynamics in Earth system models is critical for future climate prediction, yet large uncertainties exist regarding how, and to what extent, the suite of proposed relevant mechanisms should be included. To investigate how various mechanisms interact to influence SOM storage and dynamics, we developed an SOM reaction network integrated in a one-dimensional, multi-phase, and multi-component reactive transport solver. The model includes representations of bacterial and fungal activity, multiple archetypal polymeric and monomeric carbon substrate groups, aqueous chemistry, aqueous advection and diffusion, gaseous diffusion, and adsorption (and protection) and desorption from the soil mineral phase. The model predictions reasonably matched observed depth-resolved SOM and dissolved organic matter (DOM) stocks and fluxes, lignin content, and fungi to aerobic bacteria ratios. We performed a suite of sensitivity analyses under equilibrium and dynamic conditions to examine the role of dynamic sorption, microbial assimilation rates, and carbon inputs. To our knowledge, observations do not exist to fully test such a complicated model structure or to test the hypotheses used to explain observations of substantial storage of very old SOM below the rooting depth. Nevertheless, we demonstrated that a reasonable combination of sorption parameters, microbial biomass and necromass dynamics, and advective transport can match observations without resorting to an arbitrary depth-dependent decline in SOM turnover rates, as is often done. We conclude that, contrary to assertions derived from existing turnover time based model formulations, observed carbon content and Δ14C vertical profiles are consistent with a representation of SOM consisting of carbon compounds with relatively fast reaction rates, vertical aqueous transport, and dynamic protection on mineral surfaces.

Precipitation behavior of AlxCoCrFeNi high entropy alloys under ion irradiation

NASA Astrophysics Data System (ADS)

Yang, Tengfei; Xia, Songqin; Liu, Shi; Wang, Chenxu; Liu, Shaoshuai; Fang, Yuan; Zhang, Yong; Xue, Jianming; Yan, Sha; Wang, Yugang

2016-08-01

Materials performance is central to the satisfactory operation of current and future nuclear energy systems due to the severe irradiation environment in reactors. Searching for structural materials with excellent irradiation tolerance is crucial for developing the next generation nuclear reactors. Here, we report the irradiation responses of a novel multi-component alloy system, high entropy alloy (HEA) AlxCoCrFeNi (x = 0.1, 0.75 and 1.5), focusing on their precipitation behavior. It is found that the single phase system, Al0.1CoCrFeNi, exhibits a great phase stability against ion irradiation. No precipitate is observed even at the highest fluence. In contrast, numerous coherent precipitates are present in both multi-phase HEAs. Based on the irradiation-induced/enhanced precipitation theory, the excellent structural stability against precipitation of Al0.1CoCrFeNi is attributed to the high configurational entropy and low atomic diffusion, which reduces the thermodynamic driving force and kinetically restrains the formation of precipitate, respectively. For the multiphase HEAs, the phase separations and formation of ordered phases reduce the system configurational entropy, resulting in the similar precipitation behavior with corresponding binary or ternary conventional alloys. This study demonstrates the structural stability of single-phase HEAs under irradiation and provides important implications for searching for HEAs with higher irradiation tolerance.

Relative resolution: A hybrid formalism for fluid mixtures.

PubMed

Chaimovich, Aviel; Peter, Christine; Kremer, Kurt

2015-12-28

We show here that molecular resolution is inherently hybrid in terms of relative separation. While nearest neighbors are characterized by a fine-grained (geometrically detailed) model, other neighbors are characterized by a coarse-grained (isotropically simplified) model. We notably present an analytical expression for relating the two models via energy conservation. This hybrid framework is correspondingly capable of retrieving the structural and thermal behavior of various multi-component and multi-phase fluids across state space.

Relative resolution: A hybrid formalism for fluid mixtures

NASA Astrophysics Data System (ADS)

Chaimovich, Aviel; Peter, Christine; Kremer, Kurt

2015-12-01

We show here that molecular resolution is inherently hybrid in terms of relative separation. While nearest neighbors are characterized by a fine-grained (geometrically detailed) model, other neighbors are characterized by a coarse-grained (isotropically simplified) model. We notably present an analytical expression for relating the two models via energy conservation. This hybrid framework is correspondingly capable of retrieving the structural and thermal behavior of various multi-component and multi-phase fluids across state space.

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

Uchibori, Akihiro; Kurihara, Akikazu; Ohshima, Hiroyuki

A multiphysics analysis system for sodium-water reaction phenomena in a steam generator of sodium-cooled fast reactors was newly developed. The analysis system consists of the mechanistic numerical analysis codes, SERAPHIM, TACT, and RELAP5. The SERAPHIM code calculates the multicomponent multiphase flow and sodium-water chemical reaction caused by discharging of pressurized water vapor. Applicability of the SERAPHIM code was confirmed through the analyses of the experiment on water vapor discharging in liquid sodium. The TACT code was developed to calculate heat transfer from the reacting jet to the adjacent tube and to predict the tube failure occurrence. The numerical models integratedmore » into the TACT code were verified through some related experiments. The RELAP5 code evaluates thermal hydraulic behavior of water inside the tube. The original heat transfer correlations were corrected for the tube rapidly heated by the reacting jet. The developed system enables evaluation of the wastage environment and the possibility of the failure propagation.« less

Lattice Boltzmann Modeling of Complex Flows for Engineering Applications

NASA Astrophysics Data System (ADS)

Montessori, Andrea; Falcucci, Giacomo

2018-01-01

Nature continuously presents a huge number of complex and multiscale phenomena, which in many cases, involve the presence of one or more fluids flowing, merging and evolving around us. Since the very first years of the third millennium, the Lattice Boltzmann method (LB) has seen an exponential growth of applications, especially in the fields connected with the simulation of complex and soft matter flows. LB, in fact, has shown a remarkable versatility in different fields of applications from nanoactive materials, free surface flows, and multiphase and reactive flows to the simulation of the processes inside engines and fluid machinery. In this book, the authors present the most recent advances of the application of the LB to complex flow phenomena of scientific and technical interest with focus on the multiscale modeling of heterogeneous catalysis within nano-porous media and multiphase, multicomponent flows.

Simulation and Optimization of Large Scale Subsurface Environmental Impacts; Investigations, Remedial Design and Long Term Monitoring

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

Deschaine, L.M.; Chalmers Univ. of Technology, Dept. of Physical Resources, Complex Systems Group, Goteborg

2008-07-01

The global impact to human health and the environment from large scale chemical / radionuclide releases is well documented. Examples are the wide spread release of radionuclides from the Chernobyl nuclear reactors, the mobilization of arsenic in Bangladesh, the formation of Environmental Protection Agencies in the United States, Canada and Europe, and the like. The fiscal costs of addressing and remediating these issues on a global scale are astronomical, but then so are the fiscal and human health costs of ignoring them. An integrated methodology for optimizing the response(s) to these issues is needed. This work addresses development of optimalmore » policy design for large scale, complex, environmental issues. It discusses the development, capabilities, and application of a hybrid system of algorithms that optimizes the environmental response. It is important to note that 'optimization' does not singularly refer to cost minimization, but to the effective and efficient balance of cost, performance, risk, management, and societal priorities along with uncertainty analysis. This tool integrates all of these elements into a single decision framework. It provides a consistent approach to designing optimal solutions that are tractable, traceable, and defensible. The system is modular and scalable. It can be applied either as individual components or in total. By developing the approach in a complex systems framework, a solution methodology represents a significant improvement over the non-optimal 'trial and error' approach to environmental response(s). Subsurface environmental processes are represented by linear and non-linear, elliptic and parabolic equations. The state equations solved using numerical methods include multi-phase flow (water, soil gas, NAPL), and multicomponent transport (radionuclides, heavy metals, volatile organics, explosives, etc.). Genetic programming is used to generate the simulators either when simulation models do not exist, or to extend the accuracy of them. The uncertainty and sparse nature of information in earth science simulations necessitate stochastic representations. For discussion purposes, the solution to these site-wide challenges is divided into three sub-components; plume finding, long term monitoring, and site-wide remediation. Plume finding is the optimal estimation of the plume fringe(s) at a specified time. It is optimized by fusing geo-stochastic flow and transport simulations with the information content of data using a Kalman filter. The result is an optimal monitoring sensor network; the decision variable is location(s) of sensor in three dimensions. Long term monitoring extends this approach concept, and integrates the spatial-time correlations to optimize the decision variables of where to sample and when to sample over the project life cycle. Optimization of location and timing of samples to meet the desired accuracy of temporal plume movement is accomplished using enumeration or genetic algorithms. The remediation optimization solves the multi-component, multiphase system of equations and incorporates constraints on life-cycle costs, maximum annual costs, maximum allowable annual discharge (for assessing the monitored natural attenuation solution) and constraints on where remedial system component(s) can be located, including management overrides to force certain solutions to be chosen are incorporated for solution design. It uses a suite of optimization techniques, including the outer approximation method, Lipchitz global optimization, genetic algorithms, and the like. The automated optimal remedial design algorithm requires a stable simulator be available for the simulated process. This is commonly the case for all above specifications sans true three-dimensional multiphase flow. Much work is currently being conducted in the industry to develop stable 3D, three-phase simulators. If needed, an interim heuristic algorithm is available to get close to optimal for these conditions. This system process provides the full capability to optimize multi-source, multiphase, and multicomponent sites. The results of applying just components of these algorithms have produced predicted savings of as much as $90,000,000(US), when compared to alternative solutions. Investment in a pilot program to test the model saved 100% of the $20,000,000 predicted for the smaller test implementation. This was done without loss of effectiveness, and received an award from the Vice President - and now Nobel peace prize winner - Al Gore of the United States. (authors)« less

Methane Leakage From Hydrocarbon Wellbores into Overlying Groundwater: Numerical Investigation of the Multiphase Flow Processes Governing Migration

NASA Astrophysics Data System (ADS)

Rice, Amy K.; McCray, John E.; Singha, Kamini

2018-04-01

Methane leakage due to compromised hydrocarbon well integrity can lead to impaired groundwater quality. Here we use a three-dimensional, multiphase (vapor and aqueous), multicomponent (methane, water, salt), numerical model (TOUGH2 EOS7C) to investigate hydrogeological conditions that could result in groundwater contamination from natural gas wellbore leakage that migrates upward toward a freshwater aquifer. The conceptual model used for the simulations assumes methane leakage at 20-30 m below groundwater. We perform 180 simulations for a sensitivity analysis, examining (1) multiphase flow parameters related to storage, capillarity, and relative permeability, including porosity (ϕ), initial fluid-phase saturation (SL), and van Genuchten n and α, (2) geostatistical variations in intrinsic permeability (ki), and (3) methane source-zone pressure. Simulated mean ki values are 10-18 and 10-13 m2 with variances of 1 and 5 m4. Simulated source-zone pressures range from just over ambient hydrostatic pressure at the depth of leakage (100 kPa) to the maximum pressure that steel casings are commonly rated to withstand (20,340 kPa). ki, initial SL, ϕ, and van Genuchten's n and α were the most important parameters in determining the volume of methane reaching groundwater during a given time period. Multiphase parameterization of formations underlying freshwater aquifers and overlying hydrocarbon production zones is fundamental to assessing aquifer vulnerability to methane leakage.

Intercalation compounds and electrodes for batteries

DOEpatents

Chiang, Yet-Ming; Sadoway, Donald R.; Jang, Young-Il; Huang, Biyan

2004-09-07

This invention concerns intercalation compounds and in particular lithium intercalation compounds which have improved properties for use in batteries. Compositions of the invention include particulate metal oxide material having particles of multicomponent metal oxide, each including an oxide core of at least first and second metals in a first ratio, and each including a surface coating of metal oxide or hydroxide that does not include the first and second metals in the first ratio formed by segregation of at least one of the first and second metals from the core. The core may preferably comprise Li.sub.x M.sub.y N.sub.z O.sub.2 wherein M and N are metal atom or main group elements, x, y and z are numbers from about 0 to about 1 and y and z are such that a formal charge on M.sub.y N.sub.z portion of the compound is (4-x), and having a charging voltage of at least about 2.5V. The invention may also be characterized as a multicomponent oxide microstructure usable as a lithium intercalation material including a multiphase oxide core and a surface layer of one material, which is a component of the multiphase oxide core, that protects the underlying intercalation material from chemical dissolution or reaction. In a particular preferred example the multicomponent oxide may be an aluminum-doped lithium manganese oxide composition. Such aluminum-doped lithium manganese oxide compositions, having an orthorhombic structure, also form a part of the invention. In addition, the invention includes articles, particularly electrodes, for batteries formed from the compositions of the invention, and batteries including such electrodes. The invention further relates to a composite intercalation material comprising at least two compounds in which at least one compound has an orthorhombic structure Li.sub.x Al.sub.y Mn.sub.1-y O.sub.2, where y is nonzero, or a mixture of orthorhombic and monoclinic Li.sub.x Al.sub.y Mn.sub.1-y O.sub.2.

Predicting the ash behavior during biomass combustion in FBC conditions by combining advanced fuel analyses with thermodynamic multicomponent equilibrium calculations

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

Skrifvars, B.J.; Blomquist, J.P.; Hupa, M.

1998-12-31

Previous work at Aabo Akademi University has focused on identification and quantification of various sintering mechanisms which are relevant for problematic ash behavior during biomass combustion in fluidized bed combustion conditions, and on multi-component multi-phase thermodynamic phase equilibrium calculations of ash chemistry in these conditions. In both areas new information has been developed and useful modeling capabilities have been created. Based on the previous work, the authors now present a novel approach of using a combination of an advanced fuel analysis method and thermodynamic phase equilibrium calculations to predict the chemical and thermal behavior of the ash when firing biomass.more » Four different fuels [coal, forest residues, wood chips, and a mixture of forest residue and wood chips] were analyzed using the chemical fractionation analysis technique. Based on the results from these analyses, the authors formed two different ash fractions, (1) one fine sized fraction consisting of those elements found in the water and weak acid leach, and (2) a coarse ash particle fraction consisting of those elements found in the strong acid leach and non-leachable rest. The small sized ash fraction was then assumed to be carried up with the flue gases and consequently formed the base for any ash related problems in the flue gas channel. This fraction was therefore analyzed on its chemical and thermal behavior using multi-component multi-phase equilibrium calculations, by which the composition and the melting behavior was estimated as a function of the temperature. The amount of melt, which has earlier been found to be strongly related to problematic ash behavior, was finally expressed as a function of the temperature for the fraction. The coarse fraction was treated separately. Here the authors estimate the composition only. The paper discusses the results and their relevance to full scale combustion.« less

Reaction diffusion in the NiCrAl and CoCrAl systems

NASA Technical Reports Server (NTRS)

Levine, S. R.

1978-01-01

The paper assesses the effect of overlay coating and substrate composition on the kinetics of coating depletion by interdiffusion. This is accomplished by examining the constitution, kinetics and activation energies for a series of diffusion couples primarily of the NiCrAl/Ni-10Cr or CoCrAl/Ni-10Cr type annealed at temperatures in the range 1000-1205 C for times up to 500 hr. A general procedure is developed for analyzing diffusion in multicomponent multiphase systems. It is shown that by introducing the concept of beta-source strength, which can be determined from appropriate phase diagrams, the Wagner solution for consumption of a second phase in a semiinfinite couple is successfully applied to the analysis of MCrAl couples. Thus, correlation of beta-recession rate constants with couple composition, total and diffusional activation energies, and interdiffusion coefficients are determined.

Multiphase, multicomponent parameter estimation for liquid and vapor fluxes in deep arid systems using hydrologic data and natural environmental tracers

USGS Publications Warehouse

Kwicklis, Edward M.; Wolfsberg, Andrew V.; Stauffer, Philip H.; Walvoord, Michelle Ann; Sully, Michael J.

2006-01-01

Multiphase, multicomponent numerical models of long-term unsaturated-zone liquid and vapor movement were created for a thick alluvial basin at the Nevada Test Site to predict present-day liquid and vapor fluxes. The numerical models are based on recently developed conceptual models of unsaturated-zone moisture movement in thick alluvium that explain present-day water potential and tracer profiles in terms of major climate and vegetation transitions that have occurred during the past 10 000 yr or more. The numerical models were calibrated using borehole hydrologic and environmental tracer data available from a low-level radioactive waste management site located in a former nuclear weapons testing area. The environmental tracer data used in the model calibration includes tracers that migrate in both the liquid and vapor phases (??D, ??18O) and tracers that migrate solely as dissolved solutes (Cl), thus enabling the estimation of some gas-phase as well as liquid-phase transport parameters. Parameter uncertainties and correlations identified during model calibration were used to generate parameter combinations for a set of Monte Carlo simulations to more fully characterize the uncertainty in liquid and vapor fluxes. The calculated background liquid and vapor fluxes decrease as the estimated time since the transition to the present-day arid climate increases. However, on the whole, the estimated fluxes display relatively little variability because correlations among parameters tend to create parameter sets for which changes in some parameters offset the effects of others in the set. Independent estimates on the timing since the climate transition established from packrat midden data were essential for constraining the model calibration results. The study demonstrates the utility of environmental tracer data in developing numerical models of liquid- and gas-phase moisture movement and the importance of considering parameter correlations when using Monte Carlo analysis to characterize the uncertainty in moisture fluxes. ?? Soil Science Society of America.

Reactive transport modeling of stable carbon isotope fractionation in a multi-phase multi-component system during carbon sequestration

DOE PAGES

Zhang, Shuo; DePaolo, Donald J.; Zheng, Liange; ...

2014-12-31

Carbon stable isotopes can be used in characterization and monitoring of CO 2 sequestration sites to track the migration of the CO 2 plume and identify leakage sources, and to evaluate the chemical reactions that take place in the CO 2-water-rock system. However, there are few tools available to incorporate stable isotope information into flow and transport codes used for CO 2 sequestration problems. We present a numerical tool for modeling the transport of stable carbon isotopes in multiphase reactive systems relevant to geologic carbon sequestration. The code is an extension of the reactive transport code TOUGHREACT. The transport modulemore » of TOUGHREACT was modified to include separate isotopic species of CO 2 gas and dissolved inorganic carbon (CO 2, CO 3 2-, HCO 3 -,…). Any process of transport or reaction influencing a given carbon species also influences its isotopic ratio. Isotopic fractionation is thus fully integrated within the dynamic system. The chemical module and database have been expanded to include isotopic exchange and fractionation between the carbon species in both gas and aqueous phases. The performance of the code is verified by modeling ideal systems and comparing with theoretical results. Efforts are also made to fit field data from the Pembina CO 2 injection project in Canada. We show that the exchange of carbon isotopes between dissolved and gaseous carbon species combined with fluid flow and transport, produce isotopic effects that are significantly different from simple two-component mixing. These effects are important for understanding the isotopic variations observed in field demonstrations.« less

Coupling DAEM and CFD for simulating biomass fast pyrolysis in fluidized beds

DOE PAGES

Xiong, Qingang; Zhang, Jingchao; Wiggins, Gavin; ...

2015-12-03

We report results from computational simulations of an experimental, lab-scale bubbling bed biomass pyrolysis reactor that include a distributed activation energy model (DAEM) for the kinetics. In this study, we utilized multiphase computational fluid dynamics (CFD) to account for the turbulent hydrodynamics, and this was combined with the DAEM kinetics in a multi-component, multi-step reaction network. Our results indicate that it is possible to numerically integrate the coupled CFD–DAEM system without significantly increasing computational overhead. It is also clear, however, that reactor operating conditions, reaction kinetics, and multiphase flow dynamics all have major impacts on the pyrolysis products exiting themore » reactor. We find that, with the same pre-exponential factors and mean activation energies, inclusion of distributed activation energies in the kinetics can shift the predicted average value of the exit vapor-phase tar flux and its statistical distribution, compared to single-valued activation-energy kinetics. Perhaps the most interesting observed trend is that increasing the diversity of the DAEM activation energies appears to increase the mean tar yield, all else being equal. As a result, these findings imply that accurate resolution of the reaction activation energy distributions will be important for optimizing biomass pyrolysis processes.« less

Noble gas and hydrocarbon tracers in multiphase unconventional hydrocarbon systems: Toward integrated advanced reservoir simulators

NASA Astrophysics Data System (ADS)

Darrah, T.; Moortgat, J.; Poreda, R. J.; Muehlenbachs, K.; Whyte, C. J.

2015-12-01

Although hydrocarbon production from unconventional energy resources has increased dramatically in the last decade, total unconventional oil and gas recovery from black shales is still less than 25% and 9% of the totals in place, respectively. Further, the majority of increased hydrocarbon production results from increasing the lengths of laterals, the number of hydraulic fracturing stages, and the volume of consumptive water usage. These strategies all reduce the economic efficiency of hydrocarbon extraction. The poor recovery statistics result from an insufficient understanding of some of the key physical processes in complex, organic-rich, low porosity formations (e.g., phase behavior, fluid-rock interactions, and flow mechanisms at nano-scale confinement and the role of natural fractures and faults as conduits for flow). Noble gases and other hydrocarbon tracers are capably of recording subsurface fluid-rock interactions on a variety of geological scales (micro-, meso-, to macro-scale) and provide analogs for the movement of hydrocarbons in the subsurface. As such geochemical data enrich the input for the numerical modeling of multi-phase (e.g., oil, gas, and brine) fluid flow in highly heterogeneous, low permeability formations Herein we will present a combination of noble gas (He, Ne, Ar, Kr, and Xe abundances and isotope ratios) and molecular and isotopic hydrocarbon data from a geographically and geologically diverse set of unconventional hydrocarbon reservoirs in North America. Specifically, we will include data from the Marcellus, Utica, Barnett, Eagle Ford, formations and the Illinois basin. Our presentation will include geochemical and geological interpretation and our perspective on the first steps toward building an advanced reservoir simulator for tracer transport in multicomponent multiphase compositional flow (presented separately, in Moortgat et al., 2015).

Coupled Thermo-Hydro-Mechanical Numerical Framework for Simulating Unconventional Formations

NASA Astrophysics Data System (ADS)

Garipov, T. T.; White, J. A.; Lapene, A.; Tchelepi, H.

2016-12-01

Unconventional deposits are found in all world oil provinces. Modeling these systems is challenging, however, due to complex thermo-hydro-mechanical processes that govern their behavior. As a motivating example, we consider in situ thermal processing of oil shale deposits. When oil shale is heated to sufficient temperatures, kerogen can be converted to oil and gas products over a relatively short timespan. This phase change dramatically impact both the mechanical and hydrologic properties of the rock, leading to strongly coupled THMC interactions. Here, we present a numerical framework for simulating tightly-coupled chemistry, geomechanics, and multiphase flow within a reservoir simulator (the AD-GPRS General Purpose Research Simulator). We model changes in constitutive behavior of the rock using a thermoplasticity model that accounts for microstructural evolution. The multi-component, multiphase flow and transport processes of both mass and heat are modeled at the macroscopic (e.g., Darcy) scale. The phase compositions and properties are described by a cubic equation of state; Arrhenius-type chemical reactions are used to represent kerogen conversion. The system of partial differential equations is discretized using a combination of finite-volumes and finite-elements, respectively, for the flow and mechanics problems. Fully implicit and sequentially implicit method are used to solve resulting nonlinear problem. The proposed framework is verified against available analytical and numerical benchmark cases. We demonstrate the efficiency, performance, and capabilities of the proposed simulation framework by analyzing near well deformation in an oil shale formation.

Modeling and simulation of multiphase multicomponent multiphysics porous media flows in the context of chemical enhanced oil recovery

NASA Astrophysics Data System (ADS)

Dutta, Sourav; Daripa, Prabir; Fluids Team

2015-11-01

One of the most important methods of chemical enhanced oil recovery (EOR) involves the use of complex flooding schemes comprising of various layers of fluids mixed with suitable amounts of polymer or surfactant or both. The fluid flow is characterized by the spontaneous formation of complex viscous fingering patterns which is considered detrimental to oil recovery. Here we numerically study the physics of such EOR processes using a modern, hybrid method based on a combination of a discontinuous, multiscale finite element formulation and the method of characteristics. We investigate the effect of different types of heterogeneity on the fingering mechanism of these complex multiphase flows and determine the impact on oil recovery. We also study the effect of surfactants on the dynamics of the flow via reduction of capillary forces and increase in relative permeabilities. Supported by the grant NPRP 08-777-1-141 from the Qatar National Research Fund (a member of The Qatar Foundation).

Scaling Relations for Viscous and Gravitational Flow Instabilities in Multiphase Multicomponent Compressible Flow

NASA Astrophysics Data System (ADS)

Moortgat, J.; Amooie, M. A.; Soltanian, M. R.

2016-12-01

Problems in hydrogeology and hydrocarbon reservoirs generally involve the transport of solutes in a single solvent phase (e.g., contaminants or dissolved injection gas), or the flow of multiple phases that may or may not exchange mass (e.g., brine, NAPL, oil, gas). Often, flow is viscously and gravitationally unstable due to mobility and density contrasts within a phase or between phases. Such instabilities have been studied in detail for single-phase incompressible fluids and for two-phase immiscible flow, but to a lesser extent for multiphase multicomponent compressible flow. The latter is the subject of this presentation. Robust phase stability analyses and phase split calculations, based on equations of state, determine the mass exchange between phases and the resulting phase behavior, i.e., phase densities, viscosities, and volumes. Higher-order finite element methods and fine grids are used to capture the small-scale onset of flow instabilities. A full matrix of composition dependent coefficients is considered for each Fickian diffusive phase flux. Formation heterogeneity can have a profound impact and is represented by realistic geostatistical models. Qualitatively, fingering in multiphase compositional flow is different from single-phase problems because 1) phase mobilities depend on rock wettability through relative permeabilities, and 2) the initial density and viscosity ratios between phases may change due to species transfer. To quantify mixing rates in different flow regimes and for varying degrees of miscibility and medium heterogeneities, we define the spatial variance, scalar dissipation rate, dilution index, skewness, and kurtosis of the molar density of introduced species. Molar densities, unlike compositions, include compressibility effects. The temporal evolution of these measures shows that, while transport at the small-scale (cm) is described by the classical advection-diffusion-dispersion relations, scaling at the macro-scale (> 10 m) shows transitions between advective, diffusive, ballistic, sub-diffusive, and non-Fickian diffusive behavior. These scaling relations can be used to improve the predictive powers of field-scale reservoir simulations that cannot resolve the complexities of unstable flow and transport at cm-m scales.

Multiphase flow modeling and simulation of explosive volcanic eruptions

NASA Astrophysics Data System (ADS)

Neri, Augusto

Recent worldwide volcanic activity, such as eruptions at Mt. St. Helens, Washington, in 1980, Mt. Pinatubo, Philippines, in 1991, as well as the ongoing eruption at Montserrat, West Indies, highlighted again the complex nature of explosive volcanic eruptions as well as the tremendous risk associated to them. In the year 2000, about 500 million people are expected to live under the shadow of an active volcano. The understanding of pyroclastic dispersion processes produced by explosive eruptions is, therefore, of primary interest, not only from the scientific point of view, but also for the huge worldwide risk associated with them. The thesis deals with an interdisciplinary research aimed at the modeling and simulation of explosive volcanic eruptions by using multiphase thermo-fluid-dynamic models. The first part of the work was dedicated to the understanding and validation of recently developed kinetic theory of two-phase flow. The hydrodynamics of fluid catalytic cracking particles in the IIT riser were simulated and compared with lab experiments. Simulation results confirm the validity of the kinetic theory approach. Transport of solids in the riser is due to dense clusters. On a time-average basis the bottom of the riser and the walls are dense, in agreement with IIT experimental data. The low frequency of oscillation (about 0.2 Hz) is also in agreement with data. The second part of the work was devoted to the development of transient two-dimensional multiphase and multicomponent flow models of pyroclastic dispersion processes. In particular, the dynamics of ground-hugging high-speed and high-temperature pyroclastic flows generated by the collapse of volcanic columns or by impulsive discrete explosions, was investigated. The model accounts for the mechanical and thermal non-equilibrium between a multicomponent gas phase and N different solid phases representative of pyroclastic particles of different sizes. Pyroclastic dispersion dynamics describes the formation of the initial vertical jet, the column collapse, and the building of the pyroclastic fountain, followed by the generation of radially spreading pyroclastic flows. The development of thermal convective instabilities in the flow lead to the formation of co-ignimbritic or phoenix clouds. Simulation results strongly highlight the importance of the multiphase flow formulation of the mixture. Large particles tend to segregate and sediment along the ground, whereas fine particles tend to form ascending buoyant plumes. Mixtures rich in fine grained particles produce larger runout of the flow and larger ascending plumes than mixtures rich in coarse particles. Simulation results appear to be qualitatively in agreement with field observations, but require to be fully validated by the simulation of well-known test cases.

Progress in modeling solidification in molten salt coolants

NASA Astrophysics Data System (ADS)

Tano, Mauricio; Rubiolo, Pablo; Doche, Olivier

2017-10-01

Molten salts have been proposed as heat carrier media in the nuclear and concentrating solar power plants. Due to their high melting temperature, solidification of the salts is expected to occur during routine and accidental scenarios. Furthermore, passive safety systems based on the solidification of these salts are being studied. The following article presents new developments in the modeling of eutectic molten salts by means of a multiphase, multicomponent, phase-field model. Besides, an application of this methodology for the eutectic solidification process of the ternary system LiF-KF-NaF is presented. The model predictions are compared with a newly developed semi-analytical solution for directional eutectic solidification at stable growth rate. A good qualitative agreement is obtained between the two approaches. The results obtained with the phase-field model are then used for calculating the homogenized properties of the solid phase distribution. These properties can then be included in a mixture macroscale model, more suitable for industrial applications.

The effect of constraint on fuel-coolant interactions in a confined geometry

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

Park, H.; Corradini, M.L.

A Fuel-Coolant Interaction (FCI or vapor explosion) is the phenomena in which a hot liquid rapidly transfers its internal energy into a surrounding colder and more volatile liquid. The energetics of such a complex multi-phase and multi-component phenomenon is partially determined by the surrounding boundary conditions. As one of the boundary conditions, we studied the effect of constraint on FCIs. The WFCI-D series of experiments were performed specifically to observe this effect. The results from these and our previous WFCI tests as well as those of other investigators are compared.

Viscous fingering and channeling in chemical enhanced oil recovery

NASA Astrophysics Data System (ADS)

Daripa, Prabir; Dutta, Sourav

2017-11-01

We have developed a hybrid numerical method based on discontinuous finite element method and modified method of characteristics to compute the multiphase multicomponent fluid flow in porous media in the context of chemical enhanced oil recovery. We use this method to study the effect of various chemical components on the viscous fingering and channeling in rectilinear and radial flow configurations. We will also discuss about the efficiency of various flooding schemes based on these understandings. Time permitting, we will discuss about the effect of variable injection rates in these practical setting. U.S. National Science Foundation Grant DMS-1522782.

Ash chemistry and sintering

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

Skrifvars, B.J.; Backman, R.; Hupa, M.

1996-10-01

The chemistry of a fuel ash is important to consider when ash behavior in combustion or gasification is studied. Four different types of thermal behavior based bed agglomeration and deposit foliation mechanisms have been proposed to be important, (1) partial melting, (2) viscous flow, (3) chemical reaction sintering, and (4) solid state sintering. In this paper we present data from a broader study in which we have quantified the four mechanisms more in detail. The ashes from 10 different types of fuels have been tested for their sintering tendency by a compression strength sintering test. The ashes were also subjectmore » to quantitative wet chemical analyses and combined differential thermal, thermogravimetric (DT/TG) analyses. These thermal behavior predictions were compared with multi-component multi-phase thermodynamic phase equilibrium calculations and further with full scale combustion experience. The results and their relevance to full scale conversion systems are discussed in the paper.« less

On a Multiphase Multicomponent Model of Biofilm Growth

NASA Astrophysics Data System (ADS)

Friedman, Avner; Hu, Bei; Xue, Chuan

2014-01-01

Biofilms are formed when free-floating bacteria attach to a surface and secrete polysaccharide to form an extracellular polymeric matrix (EPS). A general model of biofilm growth needs to include the bacteria, the EPS, and the solvent within the biofilm region Ω( t), and the solvent in the surrounding region D( t). The interface between the two regions, Γ( t), is a free boundary. In this paper, we consider a mathematical model that consists of a Stokes equation for the EPS with bacteria attached to it, a Stokes equation for the solvent in Ω( t) and another for the solvent in D( t). The volume fraction of the EPS is another unknown satisfying a reaction-diffusion equation. The entire system is coupled nonlinearly within Ω( t) and across the free surface Γ( t). We prove the existence and uniqueness of a solution, with a smooth surface Γ( t), for a small time interval.

Investigation of two-phase heat transfer coefficients of argon-freon cryogenic mixed refrigerants

NASA Astrophysics Data System (ADS)

Baek, Seungwhan; Lee, Cheonkyu; Jeong, Sangkwon

2014-11-01

Mixed refrigerant Joule Thomson refrigerators are widely used in various kinds of cryogenic systems these days. Although heat transfer coefficient estimation for a multi-phase and multi-component fluid in the cryogenic temperature range is necessarily required in the heat exchanger design of mixed refrigerant Joule Thomson refrigerators, it has been rarely discussed so far. In this paper, condensation and evaporation heat transfer coefficients of argon-freon mixed refrigerant are measured in a microchannel heat exchanger. A Printed Circuit Heat Exchanger (PCHE) with 340 μm hydraulic diameter has been developed as a compact microchannel heat exchanger and utilized in the experiment. Several two-phase heat transfer coefficient correlations are examined to discuss the experimental measurement results. The result of this paper shows that cryogenic two-phase mixed refrigerant heat transfer coefficients can be estimated by conventional two-phase heat transfer coefficient correlations.

Low-Temperature Criticality of Martensitic Transformations of Cu Nanoprecipitates in α-Fe

NASA Astrophysics Data System (ADS)

Erhart, Paul; Sadigh, Babak

2013-07-01

Nanoprecipitates form during nucleation of multiphase equilibria in phase segregating multicomponent systems. In spite of their ubiquity, their size-dependent physical chemistry, in particular, at the boundary between phases with incompatible topologies, is still rather arcane. Here, we use extensive atomistic simulations to map out the size-temperature phase diagram of Cu nanoprecipitates in α-Fe. The growing precipitates undergo martensitic transformations from the body-centered cubic (bcc) phase to multiply twinned 9R structures. At high temperatures, the transitions exhibit strong first-order character and prominent hysteresis. Upon cooling, the discontinuities become less pronounced and the transitions occur at ever smaller cluster sizes. Below 300 K, the hysteresis vanishes while the transition remains discontinuous with a finite but diminishing latent heat. This unusual size-temperature phase diagram results from the entropy generated by the soft modes of the bcc-Cu phase, which are stabilized through confinement by the α-Fe lattice.

User's manual for PANDA II: A computer code for calculating equations of state

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

Kerley, G.I.

1991-07-18

PANDA is an interactive computer code that is used to compute equations of state (EOS) for many classes of materials over a wide range of densities and temperatures. The first step in the development of a general EOS model is to determine the EOS for a one- component system, consisting of a single solid or fluid phase and a single chemical species. The results of several such calculations can then be combined to construct EOS for multiphase and multicomponent systems. For one-component solids and fluids, PANDA offers a variety of options for modeling various contributions to the EOS: the zeromore » Kelvin isotherm, lattice vibrations, fluid degrees of freedom, thermal electronic excitation and ionization, and molecular vibrational and rotational degrees of freedom. Two options are available for computing EOS for multicomponent systems from separate EOS for the individual species and phases. The phase transition model is used for a system of immiscible phases, each having the same chemical composition. In the mixture model, the components can be either miscible or immiscible and can have different chemical compositions; mixtures cab be either inert or reactive. PANDA provides over 50 commands that are used to define the EOS models, to make calculations and compare the models to experimental data, and to generate and maintain tabular EOS libraries for use in hydrocodes and other applications. Versions of the code available for the Cray (UNICOS and CTSS), SUN (UNIX), and VAX(VMS) machines, and a small version is available for personal computers (DOS). This report describes the EOS models, use of the commands, and several sample problems. 92 refs., 7 figs., 10 tabs.« less

TOUGH+ v1.5 Core Code

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

Moridis, George J.

TOUGH+ v1.5 is a numerical code for the simulation of multi-phase, multi-component flow and transport of mass and heat through porous and fractured media, and represents the third update of the code since its first release [Moridis et al., 2008]. TOUGH+ is a successor to the TOUGH2 [Pruess et al., 1991; 2012] family of codes for multi-component, multiphase fluid and heat flow developed at the Lawrence Berkeley National Laboratory. It is written in standard FORTRAN 95/2003, and can be run on any computational platform (workstations, PC, Macintosh). TOUGH+ v1.5 employs dynamic memory allocation, thus minimizing storage requirements. It has amore » completely modular structure, follows the tenets of Object-Oriented Programming (OOP), and involves the advanced features of FORTRAN 95/2003, i.e., modules, derived data types, the use of pointers, lists and trees, data encapsulation, defined operators and assignments, operator extension and overloading, use of generic procedures, and maximum use of the powerful intrinsic vector and matrix processing operations. TOUGH+ v1.5 is the core code for its family of applications, i.e., the part of the code that is common to all its applications. It provides a description of the underlying physics and thermodynamics of non-isothermal flow, of the mathematical and numerical approaches, as well as a detailed explanation of the general (common to all applications) input requirements, options, capabilities and output specifications. The core code cannot run by itself: it needs to be coupled with the code for the specific TOUGH+ application option that describes a particular type of problem. The additional input requirements specific to a particular TOUGH+ application options and related illustrative examples can be found in the corresponding User's Manual.« less

A Mathematical Model for the Multiphase Transport and Reaction Kinetics in a Ladle with Bottom Powder Injection

NASA Astrophysics Data System (ADS)

Lou, Wentao; Zhu, Miaoyong

2017-12-01

A computation fluid dynamics-population balance model-simultaneous reaction model (CFD-PBM-SRM) coupled model has been proposed to study the multiphase flow behavior and refining reaction kinetics in a ladle with bottom powder injection, and some new and important phenomena and mechanisms are presented. For the multiphase flow behavior, the effects of bubbly plume flow, powder particle motion, particle-particle collision and growth, particle-bubble collision and adhesion, and powder particle removal into top slag are considered. For the reaction kinetics, the mechanisms of multicomponent simultaneous reactions, including Al, S, Si, Mn, Fe, and O, at the multi-interface, including top slag-liquid steel interface, air-liquid steel interface, powder droplet-liquid steel interface, and bubble-liquid steel interface, are presented, and the effect of sulfur solubility in the powder droplet on the desulfurization is also taken into account. Model validation is carried out using hot tests in a 2-t induction furnace with bottom powder injection. The result shows that the powder particles gradually disperse in the entire furnace; in the vicinity of the bottom slot plugs, the desulfurization product CaS is liquid phase, while in the upper region of the furnace, the desulfurization product CaS is solid phase. The predicted sulfur contents by the present model agree well with the measured data in the 2-t furnace with bottom powder injection.

The Effect of CaO on Gas/Slag/Matte/Tridymite Equilibria in Fayalite-Based Copper Smelting Slags at 1473 K (1200 °C) and P(SO2) = 0.25 Atm

NASA Astrophysics Data System (ADS)

Fallah-Mehrjardi, Ata; Hayes, Peter C.; Jak, Evgueni

2018-04-01

Fundamental experimental studies have been undertaken to determine the effect of CaO on the equilibria between the gas phase (CO/CO2/SO2/Ar) and slag/matte/tridymite phases in the Cu-Fe-O-S-Si-Ca system at 1473 K (1200 °C) and P(SO2) = 0.25 atm. The experimental methodology developed in the Pyrometallurgy Innovation Centre was used. New experimental data have been obtained for the four-phase equilibria system for fixed concentrations of CaO (up to 4 wt pct) in the slag phase as a function of copper concentration in matte, including the concentrations of dissolved sulfur and copper in slag, and Fe/SiO2 ratios in slag at tridymite saturation. The new data provided in the present study are of direct relevance to the pyrometallurgical processing of copper and will be used as an input to optimize the thermodynamic database for the copper-containing multi-component multi-phase system.

Nanoparticle Additives for Multiphase Systems: Synthesis, Formulation and Characterization

DTIC Science & Technology

2012-01-01

ADDITIVES FOR MULTIPHASE SYSTEMS: SYNTHESIS , FORMULATION AND CHARACTERIZATION Vinod Kanniah University of Kentucky, vinodkanniah@gmail.com This Doctoral...UKnowledge@lsv.uky.edu. Recommended Citation Kanniah, Vinod, "NANOPARTICLE ADDITIVES FOR MULTIPHASE SYSTEMS: SYNTHESIS , FORMULATION AND CHARACTERIZATION...00-00-2012 to 00-00-2012 4. TITLE AND SUBTITLE Nanoparticle Additives for Multiphase Systems: Synthesis , Formulation and Characterization 5a

TOUGH3 v1.0

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

PAU, GEORGE; JUNG, YOOJIN; FINSTERLE, STEFAN

2016-09-14

TOUGH3 V1.0 capabilities to simulate multi-dimensional, multi-phase, multi-component, non-isothermal flow and transport in fractured porous media, with applications geosciences and reservoir engineering and other application areas. TOUGH3 V1.0 supports a number of different combinations of fluids and components (updated equation-of-state (EOS) modules from previous versions of TOUGH, including EOS1, EOS2, EOS3, EOS4, EOS5, EOS7, EOS7R, EOS7C, EOS7CA, EOS8, EOS9, EWASG, TMVOC, ECO2N, and ECO2M). This upgrade includes (a) expanded list of updated equation-of-state (EOS) modules, (b) new hysteresis models, (c) new implementation of parallel and solver functionalities, (d) new linear solver options based on PETSc libraries, (e) new automatic buildmore » system that automatically downloads and builds third-party libraries and TOUGH3, (f) new printout in CSV format, (g) dynamic memory allocation, (h) various user features, and (i) bug fixes.« less

Laser-assisted manufacturing of super-insulation materials

NASA Astrophysics Data System (ADS)

Wang, Zhen; Zhang, Tao; Park, Byung Kyu; Lee, Woo Il; Hwang, David

2017-02-01

Being lightweight materials with good mechanical and thermal properties, hollow glass micro-particles (HGMPs) have been widely studied for multiple applications. In this study, it is shown that by using reduced binder fraction diluted in solvent, enables minimal contacts among the HGMPs assisted by a natural capillary trend, as confirmed by optical and electron microscope imaging. Such material architecture fabricated in a composite level proves to have enhanced thermal insulation performance through quantitative thermal conductivity measurement. Mechanical strength has also been evaluated in terms of particle-binder bonding by tensile test via in-situ microscope inspection. Effect of laser treatment was examined for further improvement of thermal and mechanical properties by selective binder removal and efficient redistribution of remaining binder components. The fabricated composite materials have potential applications to building insulation materials for their scalable manufacturing nature, improved thermal insulation performance and reasonable mechanical strength. Further studies are needed to understand mechanical and thermal properties of the resulting composites, and key fabrication mechanisms involved with laser treatment of complex multi-component and multi-phase systems.

Predictive uncertainty analysis of plume distribution for geological carbon sequestration using sparse-grid Bayesian method

NASA Astrophysics Data System (ADS)

Shi, X.; Zhang, G.

2013-12-01

Because of the extensive computational burden, parametric uncertainty analyses are rarely conducted for geological carbon sequestration (GCS) process based multi-phase models. The difficulty of predictive uncertainty analysis for the CO2 plume migration in realistic GCS models is not only due to the spatial distribution of the caprock and reservoir (i.e. heterogeneous model parameters), but also because the GCS optimization estimation problem has multiple local minima due to the complex nonlinear multi-phase (gas and aqueous), and multi-component (water, CO2, salt) transport equations. The geological model built by Doughty and Pruess (2004) for the Frio pilot site (Texas) was selected and assumed to represent the 'true' system, which was composed of seven different facies (geological units) distributed among 10 layers. We chose to calibrate the permeabilities of these facies. Pressure and gas saturation values from this true model were then extracted and used as observations for subsequent model calibration. Random noise was added to the observations to approximate realistic field conditions. Each simulation of the model lasts about 2 hours. In this study, we develop a new approach that improves computational efficiency of Bayesian inference by constructing a surrogate system based on an adaptive sparse-grid stochastic collocation method. This surrogate response surface global optimization algorithm is firstly used to calibrate the model parameters, then prediction uncertainty of the CO2 plume position is quantified due to the propagation from parametric uncertainty in the numerical experiments, which is also compared to the actual plume from the 'true' model. Results prove that the approach is computationally efficient for multi-modal optimization and prediction uncertainty quantification for computationally expensive simulation models. Both our inverse methodology and findings can be broadly applicable to GCS in heterogeneous storage formations.

Multiphase, multicomponent phase behavior prediction

NASA Astrophysics Data System (ADS)

Dadmohammadi, Younas

Accurate prediction of phase behavior of fluid mixtures in the chemical industry is essential for designing and operating a multitude of processes. Reliable generalized predictions of phase equilibrium properties, such as pressure, temperature, and phase compositions offer an attractive alternative to costly and time consuming experimental measurements. The main purpose of this work was to assess the efficacy of recently generalized activity coefficient models based on binary experimental data to (a) predict binary and ternary vapor-liquid equilibrium systems, and (b) characterize liquid-liquid equilibrium systems. These studies were completed using a diverse binary VLE database consisting of 916 binary and 86 ternary systems involving 140 compounds belonging to 31 chemical classes. Specifically the following tasks were undertaken: First, a comprehensive assessment of the two common approaches (gamma-phi (gamma-ϕ) and phi-phi (ϕ-ϕ)) used for determining the phase behavior of vapor-liquid equilibrium systems is presented. Both the representation and predictive capabilities of these two approaches were examined, as delineated form internal and external consistency tests of 916 binary systems. For the purpose, the universal quasi-chemical (UNIQUAC) model and the Peng-Robinson (PR) equation of state (EOS) were used in this assessment. Second, the efficacy of recently developed generalized UNIQUAC and the nonrandom two-liquid (NRTL) for predicting multicomponent VLE systems were investigated. Third, the abilities of recently modified NRTL model (mNRTL2 and mNRTL1) to characterize liquid-liquid equilibria (LLE) phase conditions and attributes, including phase stability, miscibility, and consolute point coordinates, were assessed. The results of this work indicate that the ϕ-ϕ approach represents the binary VLE systems considered within three times the error of the gamma-ϕ approach. A similar trend was observed for the for the generalized model predictions using quantitative structure-property parameter generalizations (QSPR). For ternary systems, where all three constituent binary systems were available, the NRTL-QSPR, UNIQUAC-QSPR, and UNIFAC-6 models produce comparable accuracy. For systems where at least one constituent binary is missing, the UNIFAC-6 model produces larger errors than the QSPR generalized models. In general, the LLE characterization results indicate the accuracy of the modified models in reproducing the findings of the original NRTL model.

Chemsheet as a Simulation Platform for Pyrometallurgical Processes

NASA Astrophysics Data System (ADS)

Penttilä, Karri; Salminen, Justin; Tripathi, Nagendra; Koukkari, Pertti

ChemSheet is a thermodynamic multi-phase multi-component simulation software, which is used as an Add-in in Microsoft Excel. In ChemSheet, the unique Constrained Gibbs free energy method can be used to include dynamic constraints and reaction rates of kinetically slow reactions, yet retaining full consistency of the multiphase thermodynamic model. With appropriate data, ChemSheet models can be used to simulate reactors and processes in all fields of thermochemistry. The presentation will cover off-line modeling of Cu-flash smelters and advanced thermochemical simulation coupled with on-line process control of Cu-Ni smelting. The presentation will describe an off-line model of Cu-smelter based on critically assessed properties of the Al-Ca-Cu-Fe-O-S-Si -system (slag, matte and liquid metal) by using the quasichemical model. A four-stage reactor model (shaft, settler, uptake and bath) is used for optimizing process parameters and feed particle distribution. As a second example, an advanced thermochemical model of a Ni-Cu sulphide smelting plant will be given. The on-line model covers the operation of treating Ni-Cu-S concentrate via roasters, electric furnace and converters, producing a high grade Bessemer matte product for further refining. The model integrates the thermochemistry of the roasters and electric furnace, and predicts important process parameters such as degree of sulphur elimination in the fluid-bed roasters, matte grade, iron metallization, slag losses and the iron to silica ratio in the electric furnace slag. Both models can be used to assist process engineers and operators in calculating the addition rates of coke, flux and air for different feed scenarios.

High Pressure Cosmochemistry of Major Planetary Interiors: Laboratory Studies of the Water-rich Region of the System Ammonia-water

NASA Technical Reports Server (NTRS)

Nicol, M.; Johnson, M.; Koumvakalis, A. S.

1985-01-01

The behavior of gas-ice mixtures in major planets at very high pressures was studied. Some relevant pressure-temperature-composition (P-T-X) regions of the hydrogen (H2)-helium (He)-water (H2O-ammonia (NH3)-methane (CH4) phase diagram were determined. The studies, and theoretical model, of the relevant phases, are needed to interpret the compositions of ice-gas systems at conditions of planetary interest. The compositions and structures of a multiphase, multicomponent system at very high pressures care characterized, and the goal is to characterize this system over a wide range of low and high temperatures. The NH3-H2O compositions that are relevant to planetary problems yet are easy to prepare were applied. The P-T surface of water was examined and the corresponding surface for NH3 was determined. The T-X diagram of ammonia-water at atmospheric pressure was studied and two water-rich phases were found, NH3-2H2O (ammonia dihydrate), which melts incongruently, and NH3.H2O (ammonia monohydrate), which is nonstoichiometric and melts at a higher temperature than the dihydrate. It is suggested that a P-T surface at approximately the monohydrate composition and the P-X surface at room temperature is determined.

A Senior Project-Based Multiphase Motor Drive System Development

ERIC Educational Resources Information Center

Abdel-Khalik, Ayman S.; Massoud, Ahmed M.; Ahmed, Shehab

2016-01-01

Adjustable-speed drives based on multiphase motors are of significant interest for safety-critical applications that necessitate wide fault-tolerant capabilities and high system reliability. Although multiphase machines are based on the same conceptual theory as three-phase machines, most undergraduate electrical machines and electric drives…

Multiphase flow calculation software

DOEpatents

Fincke, James R.

2003-04-15

Multiphase flow calculation software and computer-readable media carrying computer executable instructions for calculating liquid and gas phase mass flow rates of high void fraction multiphase flows. The multiphase flow calculation software employs various given, or experimentally determined, parameters in conjunction with a plurality of pressure differentials of a multiphase flow, preferably supplied by a differential pressure flowmeter or the like, to determine liquid and gas phase mass flow rates of the high void fraction multiphase flows. Embodiments of the multiphase flow calculation software are suitable for use in a variety of applications, including real-time management and control of an object system.

Impact of multilayered compression bandages on sub-bandage interface pressure: a model.

PubMed

Al Khaburi, J; Nelson, E A; Hutchinson, J; Dehghani-Sanij, A A

2011-03-01

Multi-component medical compression bandages are widely used to treat venous leg ulcers. The sub-bandage interface pressures induced by individual components of the multi-component compression bandage systems are not always simply additive. Current models to explain compression bandage performance do not take account of the increase in leg circumference when each bandage is applied, and this may account for the difference between predicted and actual pressures. To calculate the interface pressure when a multi-component compression bandage system is applied to a leg. Use thick wall cylinder theory to estimate the sub-bandage pressure over the leg when a multi-component compression bandage is applied to a leg. A mathematical model was developed based on thick cylinder theory to include bandage thickness in the calculation of the interface pressure in multi-component compression systems. In multi-component compression systems, the interface pressure corresponds to the sum of the pressures applied by individual bandage layers. However, the change in the limb diameter caused by additional bandage layers should be considered in the calculation. Adding the interface pressure produced by single components without considering the bandage thickness will result in an overestimate of the overall interface pressure produced by the multi-component compression systems. At the ankle (circumference 25 cm) this error can be 19.2% or even more in the case of four components bandaging systems. Bandage thickness should be considered when calculating the pressure applied using multi-component compression systems.

Verification and benchmark testing of the NUFT computer code

NASA Astrophysics Data System (ADS)

Lee, K. H.; Nitao, J. J.; Kulshrestha, A.

1993-10-01

This interim report presents results of work completed in the ongoing verification and benchmark testing of the NUFT (Nonisothermal Unsaturated-saturated Flow and Transport) computer code. NUFT is a suite of multiphase, multicomponent models for numerical solution of thermal and isothermal flow and transport in porous media, with application to subsurface contaminant transport problems. The code simulates the coupled transport of heat, fluids, and chemical components, including volatile organic compounds. Grid systems may be cartesian or cylindrical, with one-, two-, or fully three-dimensional configurations possible. In this initial phase of testing, the NUFT code was used to solve seven one-dimensional unsaturated flow and heat transfer problems. Three verification and four benchmarking problems were solved. In the verification testing, excellent agreement was observed between NUFT results and the analytical or quasianalytical solutions. In the benchmark testing, results of code intercomparison were very satisfactory. From these testing results, it is concluded that the NUFT code is ready for application to field and laboratory problems similar to those addressed here. Multidimensional problems, including those dealing with chemical transport, will be addressed in a subsequent report.

A Constitutive Equation Relating Composition and Microstructure to Properties in Ti-6Al-4V: As Derived Using a Novel Integrated Computational Approach

NASA Astrophysics Data System (ADS)

Ghamarian, Iman; Samimi, Peyman; Dixit, Vikas; Collins, Peter C.

2015-11-01

While it is useful to predict properties in metallic materials based upon the composition and microstructure, the complexity of real, multi-component, and multi-phase engineering alloys presents difficulties when attempting to determine constituent-based phenomenological equations. This paper applies an approach based upon the integration of three separate modeling approaches, specifically artificial neural networks, genetic algorithms, and Monte Carlo simulations to determine a mechanism-based equation for the yield strength of α+ β processed Ti-6Al-4V (all compositions in weight percent) which consists of a complex multi-phase microstructure with varying spatial and morphological distributions of the key microstructural features. Notably, this is an industrially important alloy yet an alloy for which such an equation does not exist in the published literature. The equation ultimately derived in this work not only can accurately describe the properties of the current dataset but also is consistent with the limited and dissociated information available in the literature regarding certain parameters such as intrinsic yield strength of pure hexagonal close-packed alpha titanium. In addition, this equation suggests new interesting opportunities for controlling yield strength by controlling the relative intrinsic strengths of the two phases through solid solution strengthening.

Mixed finite element - discontinuous finite volume element discretization of a general class of multicontinuum models

NASA Astrophysics Data System (ADS)

Ruiz-Baier, Ricardo; Lunati, Ivan

2016-10-01

We present a novel discretization scheme tailored to a class of multiphase models that regard the physical system as consisting of multiple interacting continua. In the framework of mixture theory, we consider a general mathematical model that entails solving a system of mass and momentum equations for both the mixture and one of the phases. The model results in a strongly coupled and nonlinear system of partial differential equations that are written in terms of phase and mixture (barycentric) velocities, phase pressure, and saturation. We construct an accurate, robust and reliable hybrid method that combines a mixed finite element discretization of the momentum equations with a primal discontinuous finite volume-element discretization of the mass (or transport) equations. The scheme is devised for unstructured meshes and relies on mixed Brezzi-Douglas-Marini approximations of phase and total velocities, on piecewise constant elements for the approximation of phase or total pressures, as well as on a primal formulation that employs discontinuous finite volume elements defined on a dual diamond mesh to approximate scalar fields of interest (such as volume fraction, total density, saturation, etc.). As the discretization scheme is derived for a general formulation of multicontinuum physical systems, it can be readily applied to a large class of simplified multiphase models; on the other, the approach can be seen as a generalization of these models that are commonly encountered in the literature and employed when the latter are not sufficiently accurate. An extensive set of numerical test cases involving two- and three-dimensional porous media are presented to demonstrate the accuracy of the method (displaying an optimal convergence rate), the physics-preserving properties of the mixed-primal scheme, as well as the robustness of the method (which is successfully used to simulate diverse physical phenomena such as density fingering, Terzaghi's consolidation, deformation of a cantilever bracket, and Boycott effects). The applicability of the method is not limited to flow in porous media, but can also be employed to describe many other physical systems governed by a similar set of equations, including e.g. multi-component materials.

Oil field management system

DOEpatents

Fincke, James R.

2003-09-23

Oil field management systems and methods for managing operation of one or more wells producing a high void fraction multiphase flow. The system includes a differential pressure flow meter which samples pressure readings at various points of interest throughout the system and uses pressure differentials derived from the pressure readings to determine gas and liquid phase mass flow rates of the high void fraction multiphase flow. One or both of the gas and liquid phase mass flow rates are then compared with predetermined criteria. In the event such mass flow rates satisfy the predetermined criteria, a well control system implements a correlating adjustment action respecting the multiphase flow. In this way, various parameters regarding the high void fraction multiphase flow are used as control inputs to the well control system and thus facilitate management of well operations.

Groundwater-Quality Impacts from Natural-Gas Wellbore Leakage: Numerical Sensitivity Analysis of Hydrogeologic, Geostatistical, and Source-Term Parameterization at Varying Depths

NASA Astrophysics Data System (ADS)

Rice, A. K.; McCray, J. E.; Singha, K.

2016-12-01

The development of directional drilling and stimulation of reservoirs by hydraulic fracturing has transformed the energy landscape in the U.S. by making recovery of hydrocarbons from shale formations not only possible but economically viable. Activities associated with hydraulic fracturing present a set of water-quality challenges, including the potential for impaired groundwater quality. In this project, we use a three-dimensional, multiphase, multicomponent numerical model to investigate hydrogeologic conditions that could lead to groundwater contamination from natural gas wellbore leakage. This work explores the fate of methane that enters a well annulus, possibly from an intermediate formation or from the production zone via a flawed cement seal, and leaves the annulus at one of two depths: at the elevation of groundwater or below a freshwater aquifer. The latter leakage scenario is largely ignored in the current scientific literature, where focus has been on leakage directly into freshwater aquifers, despite modern regulations requiring steel casings and cement sheaths at these depths. We perform a three-stage sensitivity analysis, examining (1) hydrogeologic parameters of media surrounding a methane leakage source zone, (2) geostatistical variations in intrinsic permeability, and (3) methane source zone pressurization. Results indicate that in all cases methane reaches groundwater within the first year of leakage. To our knowledge, this is the first study to consider natural gas wellbore leakage in the context of multiphase flow through heterogeneous permeable media; advantages of multiphase modeling include more realistic analysis of methane vapor-phase relative permeability as compared to single-phase models. These results can be used to inform assessment of aquifer vulnerability to hydrocarbon wellbore leakage at varying depths.

Multiphase magnetic systems: Measurement and simulation

NASA Astrophysics Data System (ADS)

Cao, Yue; Ahmadzadeh, Mostafa; Xu, Ke; Dodrill, Brad; McCloy, John S.

2018-01-01

Multiphase magnetic systems are common in nature and are increasingly being recognized in technical applications. One characterization method which has shown great promise for determining separate and collective effects of multiphase magnetic systems is first order reversal curves (FORCs). Several examples are given of FORC patterns which provide distinguishing evidence of multiple phases. In parallel, a visualization method for understanding multiphase magnetic interaction is given, which allocates Preisach magnetic elements as an input "Preisach hysteron distribution pattern" to enable simulation of different "wasp-waisted" magnetic behaviors. These simulated systems allow reproduction of different major hysteresis loops and FORC patterns of real systems and parameterized theoretical systems. The experimental FORC measurements and FORC diagrams of four commercially obtained magnetic materials, particularly those sold as nanopowders, show that these materials are often not phase pure. They exhibit complex hysteresis behaviors that are not predictable based on relative phase fraction obtained by characterization methods such as diffraction. These multiphase materials, consisting of various fractions of BaFe12O19, ɛ-Fe2O3, and γ-Fe2O3, are discussed.

Foundations of modeling in cryobiology-I: concentration, Gibbs energy, and chemical potential relationships.

PubMed

Anderson, Daniel M; Benson, James D; Kearsley, Anthony J

2014-12-01

Mathematical modeling plays an enormously important role in understanding the behavior of cells, tissues, and organs undergoing cryopreservation. Uses of these models range from explanation of phenomena, exploration of potential theories of damage or success, development of equipment, and refinement of optimal cryopreservation/cryoablation strategies. Over the last half century there has been a considerable amount of work in bio-heat and mass-transport, and these models and theories have been readily and repeatedly applied to cryobiology with much success. However, there are significant gaps between experimental and theoretical results that suggest missing links in models. One source for these potential gaps is that cryobiology is at the intersection of several very challenging aspects of transport theory: it couples multi-component, moving boundary, multiphase solutions that interact through a semipermeable elastic membrane with multicomponent solutions in a second time-varying domain, during a two-hundred Kelvin temperature change with multi-molar concentration gradients and multi-atmosphere pressure changes. In order to better identify potential sources of error, and to point to future directions in modeling and experimental research, we present a three part series to build from first principles a theory of coupled heat and mass transport in cryobiological systems accounting for all of these effects. The hope of this series is that by presenting and justifying all steps, conclusions may be made about the importance of key assumptions, perhaps pointing to areas of future research or model development, but importantly, lending weight to standard simplification arguments that are often made in heat and mass transport. In this first part, we review concentration variable relationships, their impact on choices for Gibbs energy models, and their impact on chemical potentials. Copyright © 2014 Elsevier Inc. All rights reserved.

Computational methods for reactive transport modeling: An extended law of mass-action, xLMA, method for multiphase equilibrium calculations

NASA Astrophysics Data System (ADS)

Leal, Allan M. M.; Kulik, Dmitrii A.; Kosakowski, Georg; Saar, Martin O.

2016-10-01

We present an extended law of mass-action (xLMA) method for multiphase equilibrium calculations and apply it in the context of reactive transport modeling. This extended LMA formulation differs from its conventional counterpart in that (i) it is directly derived from the Gibbs energy minimization (GEM) problem (i.e., the fundamental problem that describes the state of equilibrium of a chemical system under constant temperature and pressure); and (ii) it extends the conventional mass-action equations with Lagrange multipliers from the Gibbs energy minimization problem, which can be interpreted as stability indices of the chemical species. Accounting for these multipliers enables the method to determine all stable phases without presuming their types (e.g., aqueous, gaseous) or their presence in the equilibrium state. Therefore, the here proposed xLMA method inherits traits of Gibbs energy minimization algorithms that allow it to naturally detect the phases present in equilibrium, which can be single-component phases (e.g., pure solids or liquids) or non-ideal multi-component phases (e.g., aqueous, melts, gaseous, solid solutions, adsorption, or ion exchange). Moreover, our xLMA method requires no technique that tentatively adds or removes reactions based on phase stability indices (e.g., saturation indices for minerals), since the extended mass-action equations are valid even when their corresponding reactions involve unstable species. We successfully apply the proposed method to a reactive transport modeling problem in which we use PHREEQC and GEMS as alternative backends for the calculation of thermodynamic properties such as equilibrium constants of reactions, standard chemical potentials of species, and activity coefficients. Our tests show that our algorithm is efficient and robust for demanding applications, such as reactive transport modeling, where it converges within 1-3 iterations in most cases. The proposed xLMA method is implemented in Reaktoro, a unified open-source framework for modeling chemically reactive systems.

Rogue waves in the multicomponent Mel'nikov system and multicomponent Schrödinger-Boussinesq system

NASA Astrophysics Data System (ADS)

Sun, Baonan; Lian, Zhan

2018-02-01

By virtue of the bilinear method and the KP hierarchy reduction technique, exact explicit rational solutions of the multicomponent Mel'nikov equation and the multicomponent Schrödinger-Boussinesq equation are constructed, which contain multicomponent short waves and single-component long wave. For the multicomponent Mel'nikov equation, the fundamental rational solutions possess two different behaviours: lump and rogue wave. It is shown that the fundamental (simplest) rogue waves are line localised waves which arise from the constant background with a line profile and then disappear into the constant background again. The fundamental line rogue waves can be classified into three: bright, intermediate and dark line rogue waves. Two subclasses of non-fundamental rogue waves, i.e., multirogue waves and higher-order rogue waves are discussed. The multirogue waves describe interaction of several fundamental line rogue waves, in which interesting wave patterns appear in the intermediate time. Higher-order rogue waves exhibit dynamic behaviours that the wave structures start from lump and then retreat back to it. Moreover, by taking the parameter constraints further, general higher-order rogue wave solutions for the multicomponent Schrödinger-Boussinesq system are generated.

Numerical investigation of complex flooding schemes for surfactant polymer based enhanced oil recovery

NASA Astrophysics Data System (ADS)

Dutta, Sourav; Daripa, Prabir

2015-11-01

Surfactant-polymer flooding is a widely used method of chemical enhanced oil recovery (EOR) in which an array of complex fluids containing suitable and varying amounts of surfactant or polymer or both mixed with water is injected into the reservoir. This is an example of multiphase, multicomponent and multiphysics porous media flow which is characterized by the spontaneous formation of complex viscous fingering patterns and is modeled by a system of strongly coupled nonlinear partial differential equations with appropriate initial and boundary conditions. Here we propose and discuss a modern, hybrid method based on a combination of a discontinuous, multiscale finite element formulation and the method of characteristics to accurately solve the system. Several types of flooding schemes and rheological properties of the injected fluids are used to numerically study the effectiveness of various injection policies in minimizing the viscous fingering and maximizing oil recovery. Numerical simulations are also performed to investigate the effect of various other physical and model parameters such as heterogeneity, relative permeability and residual saturation on the quantities of interest like cumulative oil recovery, sweep efficiency, fingering intensity to name a few. Supported by the grant NPRP 08-777-1-141 from the Qatar National Research Fund (a member of The Qatar Foundation).

Liquid gating elastomeric porous system with dynamically controllable gas/liquid transport.

PubMed

Sheng, Zhizhi; Wang, Honglong; Tang, Yongliang; Wang, Miao; Huang, Lizhi; Min, Lingli; Meng, Haiqiang; Chen, Songyue; Jiang, Lei; Hou, Xu

2018-02-01

The development of membrane technology is central to fields ranging from resource harvesting to medicine, but the existing designs are unable to handle the complex sorting of multiphase substances required for many systems. Especially, the dynamic multiphase transport and separation under a steady-state applied pressure have great benefits for membrane science, but have not been realized at present. Moreover, the incorporation of precisely dynamic control with avoidance of contamination of membranes remains elusive. We show a versatile strategy for creating elastomeric microporous membrane-based systems that can finely control and dynamically modulate the sorting of a wide range of gases and liquids under a steady-state applied pressure, nearly eliminate fouling, and can be easily applied over many size scales, pressures, and environments. Experiments and theoretical calculation demonstrate the stability of our system and the tunability of the critical pressure. Dynamic transport of gas and liquid can be achieved through our gating interfacial design and the controllable pores' deformation without changing the applied pressure. Therefore, we believe that this system will bring new opportunities for many applications, such as gas-involved chemical reactions, fuel cells, multiphase separation, multiphase flow, multiphase microreactors, colloidal particle synthesis, and sizing nano/microparticles.

Liquid gating elastomeric porous system with dynamically controllable gas/liquid transport

PubMed Central

Sheng, Zhizhi; Wang, Honglong; Tang, Yongliang; Wang, Miao; Huang, Lizhi; Min, Lingli; Meng, Haiqiang; Chen, Songyue; Jiang, Lei; Hou, Xu

2018-01-01

The development of membrane technology is central to fields ranging from resource harvesting to medicine, but the existing designs are unable to handle the complex sorting of multiphase substances required for many systems. Especially, the dynamic multiphase transport and separation under a steady-state applied pressure have great benefits for membrane science, but have not been realized at present. Moreover, the incorporation of precisely dynamic control with avoidance of contamination of membranes remains elusive. We show a versatile strategy for creating elastomeric microporous membrane-based systems that can finely control and dynamically modulate the sorting of a wide range of gases and liquids under a steady-state applied pressure, nearly eliminate fouling, and can be easily applied over many size scales, pressures, and environments. Experiments and theoretical calculation demonstrate the stability of our system and the tunability of the critical pressure. Dynamic transport of gas and liquid can be achieved through our gating interfacial design and the controllable pores’ deformation without changing the applied pressure. Therefore, we believe that this system will bring new opportunities for many applications, such as gas-involved chemical reactions, fuel cells, multiphase separation, multiphase flow, multiphase microreactors, colloidal particle synthesis, and sizing nano/microparticles. PMID:29487906

The fascinating and complex dynamics of geyser eruptions

USGS Publications Warehouse

Hurwitz, Shaul; Manga, Michael

2017-01-01

Geysers episodically erupt liquid and vapor. Despite two centuries of scientific study, basic questions persist—why do geysers exist? What determines eruption intervals, durations, and heights? What initiates eruptions? Through monitoring eruption intervals, analyzing geophysical data, taking measurements within geyser conduits, performing numerical simulations, and constructing laboratory models, some of these questions have been addressed. Geysers are uncommon because they require a combination of abundant water recharge, magmatism, and rhyolite flows to supply heat and silica, and large fractures and cavities overlain by low-permeability materials to trap rising multiphase and multicomponent fluids. Eruptions are driven by the conversion of thermal to kinetic energy during decompression. Larger and deeper cavities permit larger eruptions and promote regularity by isolating water from weather variations. The ejection velocity may be limited by the speed of sound of the liquid + vapor mixture.

Equivalence of Brownian dynamics and dynamic Monte Carlo simulations in multicomponent colloidal suspensions.

PubMed

Cuetos, Alejandro; Patti, Alessandro

2015-08-01

We propose a simple but powerful theoretical framework to quantitatively compare Brownian dynamics (BD) and dynamic Monte Carlo (DMC) simulations of multicomponent colloidal suspensions. By extending our previous study focusing on monodisperse systems of rodlike colloids, here we generalize the formalism described there to multicomponent colloidal mixtures and validate it by investigating the dynamics in isotropic and liquid crystalline phases containing spherical and rodlike particles. In order to investigate the dynamics of multicomponent colloidal systems by DMC simulations, it is key to determine the elementary time step of each species and establish a unique timescale. This is crucial to consistently study the dynamics of colloidal particles with different geometry. By analyzing the mean-square displacement, the orientation autocorrelation functions, and the self part of the van Hove correlation functions, we show that DMC simulation is a very convenient and reliable technique to describe the stochastic dynamics of any multicomponent colloidal system. Our theoretical formalism can be easily extended to any colloidal system containing size and/or shape polydisperse particles.

Phase equilibria computations of multicomponent mixtures at specified internal energy and volume

NASA Astrophysics Data System (ADS)

Myint, Philip C.; Nichols, Albert L., III; Springer, H. Keo

2017-06-01

Hydrodynamic simulation codes for high-energy density science applications often use internal energy and volume as their working variables. As a result, the codes must determine the thermodynamic state that corresponds to the specified energy and volume by finding the global maximum in entropy. This task is referred to as the isoenergetic-isochoric flash. Solving it for multicomponent mixtures is difficult because one must find not only the temperature and pressure consistent with the energy and volume, but also the number of phases present and the composition of the phases. The few studies on isoenergetic-isochoric flash that currently exist all require the evaluation of many derivatives that can be tedious to implement. We present an alternative approach that is based on a derivative-free method: particle swarm optimization. The global entropy maximum is found by running several instances of particle swarm optimization over different sets of randomly selected points in the search space. For verification, we compare the predicted temperature and pressure to results from the related, but simpler problem of isothermal-isobaric flash. All of our examples involve the equation of state we have recently developed for multiphase mixtures of the energetic materials HMX, RDX, and TNT. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under Contract DE-AC52-07NA27344.

Practical aspects and uncertainty analysis of biological effective dose (BED) regarding its three-dimensional calculation in multiphase radiotherapy treatment plans

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

Kauweloa, Kevin I., E-mail: Kauweloa@livemail.uthscsa.edu; Gutierrez, Alonso N.; Bergamo, Angelo

2014-07-15

Purpose: There is a growing interest in the radiation oncology community to use the biological effective dose (BED) rather than the physical dose (PD) in treatment plan evaluation and optimization due to its stronger correlation with radiobiological effects. Radiotherapy patients may receive treatments involving a single only phase or multiple phases (e.g., primary and boost). Since most treatment planning systems cannot calculate the analytical BED distribution in multiphase treatments, an approximate multiphase BED expression, which is based on the total physical dose distribution, has been used. The purpose of this paper is to reveal the mathematical properties of the approximatemore » BED formulation, relative to the true BED. Methods: The mathematical properties of the approximate multiphase BED equation are analyzed and evaluated. In order to better understand the accuracy of the approximate multiphase BED equation, the true multiphase BED equation was derived and the mathematical differences between the true and approximate multiphase BED equations were determined. The magnitude of its inaccuracies under common clinical circumstances was also studied. All calculations were performed on a voxel-by-voxel basis using the three-dimensional dose matrices. Results: Results showed that the approximate multiphase BED equation is accurate only when the dose-per-fractions (DPFs) in both the first and second phases are equal, which occur when the dose distribution does not significantly change between the phases. In the case of heterogeneous dose distributions, which significantly vary between the phases, there are fewer occurrences of equal DPFs and hence the inaccuracy of the approximate multiphase BED is greater. These characteristics are usually seen in the dose distributions being delivered to organs at risk rather than to targets. Conclusions: The finding of this study indicates that the true multiphase BED equation should be implemented in the treatment planning systems due to the inconsistent accuracy of the approximate multiphase BED equation in most of the clinical situations.« less

Internal structure of multiphase zinc-blende wurtzite gallium nitride nanowires.

PubMed

Jacobs, B W; Ayres, V M; Crimp, M A; McElroy, K

2008-10-08

In this paper, the internal structure of novel multiphase gallium nitride nanowires in which multiple zinc-blende and wurtzite crystalline domains grow simultaneously along the entire length of the nanowire is investigated. Orientation relationships within the multiphase nanowires are identified using high-resolution transmission electron microscopy of nanowire cross-sections fabricated with a focused ion beam system. A coherent interface between the zinc-blende and wurtzite phases is identified. A mechanism for catalyst-free vapor-solid multiphase nanowire nucleation and growth is proposed.

Experimental Investigation of Gas/Slag/Matte/Tridymite Equilibria in the Cu-Fe-O-S-Si System in Controlled Gas Atmosphere: Experimental Results at 1523 K (1250 °C) and P(SO2) = 0.25 atm

NASA Astrophysics Data System (ADS)

Fallah-Mehrjardi, Ata; Hidayat, Taufiq; Hayes, Peter C.; Jak, Evgueni

2018-04-01

To assist in the optimization of copper smelting and converting processes, accurate new measurements of the phase equilibria of the Cu-Fe-O-S-Si system have been undertaken. The experimental investigation was focused on the characterization of gas/slag/matte/tridymite equilibria in the Cu-Fe-O-S-Si system at 1523 K (1250 °C), P(SO2) = 0.25 atm, and a range of P(O2)s. The experimental methodology, developed in PYROSEARCH, includes high-temperature equilibration of samples on substrate made from the silica primary phase in controlled gas atmospheres (CO/CO2/SO2/Ar) followed by rapid quenching of the equilibrium condensed phases and direct measurement of the phase compositions with electron-probe X-ray microanalysis (EPMA). The data provided in the present study at 1523 K (1250 °C) and the previous study by the authors at 1473 K (1200 °C) has enabled the determination of the effects of temperature on the phase equilibria of the multicomponent multiphase system, including such characteristics as the chemically dissolved copper in slag and Fe/SiO2 ratio at silica saturation as a function of copper concentration in matte. The new data will be used in the optimization of the thermodynamic database for the copper-containing systems.

Gas-liquid Phase Distribution and Void Fraction Measurements Using the MRI

NASA Technical Reports Server (NTRS)

Daidzic, N. E.; Schmidt, E.; Hasan, M. M.; Altobelli, S.

2004-01-01

We used a permanent-magnet MRI system to estimate the integral and spatially- and/or temporally-resolved void-fraction distributions and flow patterns in gas-liquid two-phase flows. Air was introduced at the bottom of the stagnant liquid column using an accurate and programmable syringe pump. Air flow rates were varied between 1 and 200 ml/min. The cylindrical non-conducting test tube in which two-phase flow was measured was placed in a 2.67 kGauss MRI with MRT spectrometer/imager. Roughly linear relationship has been obtained for the integral void-fraction, obtained by volume-averaging of the spatially-resolved signals, and the air flow rate in upward direction. The time-averaged spatially-resolved void fraction has also been obtained for the quasi-steady flow of air in a stagnant liquid column. No great accuracy is claimed as this was an exploratory proof-of-concept type of experiment. Preliminary results show that MRI a non-invasive and non-intrusive experimental technique can indeed provide a wealth of different qualitative and quantitative data and is especially well suited for averaged transport processes in adiabatic and diabatic multi-phase and/or multi-component flows.

Transport-induced shifts in condensate dew-point and composition in multicomponent systems with chemical reaction

NASA Technical Reports Server (NTRS)

Rosner, D. E.; Nagarajan, R.

1985-01-01

Partial heterogeneous condensation phenomena in multicomponent reacting systems are analyzed taking into consideration the chemical element transport phenomena. It is demonstrated that the dew-point surface temperature in chemically reactive systems is not a purely thermodynamic quantity, but is influenced by the multicomponent diffusion and Soret-mass diffusion phenomena. Several distinct dew-points are shown to exist in such systems and, as a result of transport constraints, the 'sharp' locus between two chemically distinct condensates is systematically moved to a difference mainstream composition.

Laser ultrasonic multi-component imaging

DOEpatents

Williams, Thomas K [Federal Way, WA; Telschow, Kenneth [Des Moines, WA

2011-01-25

Techniques for ultrasonic determination of the interfacial relationship of multi-component systems are discussed. In implementations, a laser energy source may be used to excite a multi-component system including a first component and a second component at least in partial contact with the first component. Vibrations resulting from the excitation may be detected for correlation with a resonance pattern indicating if discontinuity exists at the interface of the first and second components.

Scaled Particle Theory for Multicomponent Hard Sphere Fluids Confined in Random Porous Media.

PubMed

Chen, W; Zhao, S L; Holovko, M; Chen, X S; Dong, W

2016-06-23

The formulation of scaled particle theory (SPT) is presented for a quite general model of fluids confined in a random porous media, i.e., a multicomponent hard sphere (HS) fluid in a multicomponent hard sphere or a multicomponent overlapping hard sphere (OHS) matrix. The analytical expressions for pressure, Helmholtz free energy, and chemical potential are derived. The thermodynamic consistency of the proposed theory is established. Moreover, we show that there is an isomorphism between the SPT for a multicomponent system and that for a one-component system. Results from grand canonical ensemble Monte Carlo simulations are also presented for a binary HS mixture in a one-component HS or a one-component OHS matrix. The accuracy of various variants derived from the basic SPT formulation is appraised against the simulation results. Scaled particle theory, initially formulated for a bulk HS fluid, has not only provided an analytical tool for calculating thermodynamic properties of HS fluid but also helped to gain very useful insight for elaborating other theoretical approaches such as the fundamental measure theory (FMT). We expect that the general SPT for multicomponent systems developed in this work can contribute to the study of confined fluids in a similar way.

System and method for monitoring and controlling stator winding temperature in a de-energized AC motor

DOEpatents

Lu, Bin [Kenosha, WI; Luebke, Charles John [Sussex, WI; Habetler, Thomas G [Snellville, GA; Zhang, Pinjia [Atlanta, GA; Becker, Scott K [Oak Creek, WI

2011-12-27

A system and method for measuring and controlling stator winding temperature in an AC motor while idling is disclosed. The system includes a circuit having an input connectable to an AC source and an output connectable to an input terminal of a multi-phase AC motor. The circuit further includes a plurality of switching devices to control current flow and terminal voltages in the multi-phase AC motor and a controller connected to the circuit. The controller is configured to activate the plurality of switching devices to create a DC signal in an output of the motor control device corresponding to an input to the multi-phase AC motor, determine or estimate a stator winding resistance of the multi-phase AC motor based on the DC signal, and estimate a stator temperature from the stator winding resistance. Temperature can then be controlled and regulated by DC injection into the stator windings.

[Study on high accuracy detection of multi-component gas in oil-immerse power transformer].

PubMed

Fan, Jie; Chen, Xiao; Huang, Qi-Feng; Zhou, Yu; Chen, Gang

2013-12-01

In order to solve the problem of low accuracy and mutual interference in multi-component gas detection, a kind of multi-component gas detection network with high accuracy was designed. A semiconductor laser with narrow bandwidth was utilized as light source and a novel long-path gas cell was also used in this system. By taking the single sine signal to modulate the spectrum of laser and using space division multiplexing (SDM) and time division multiplexing (TDM) technique, the detection of multi-component gas was achieved. The experiments indicate that the linearity relevance coefficient is 0. 99 and the measurement relative error is less than 4%. The system dynamic response time is less than 15 s, by filling a volume of multi-component gas into the gas cell gradually. The system has advantages of high accuracy and quick response, which can be used in the fault gas on-line monitoring for power transformers in real time.

Simulation of gaseous diffusion in partially saturated porous media under variable gravity with lattice Boltzmann methods

NASA Technical Reports Server (NTRS)

Chau, Jessica Furrer; Or, Dani; Sukop, Michael C.; Steinberg, S. L. (Principal Investigator)

2005-01-01

Liquid distributions in unsaturated porous media under different gravitational accelerations and corresponding macroscopic gaseous diffusion coefficients were investigated to enhance understanding of plant growth conditions in microgravity. We used a single-component, multiphase lattice Boltzmann code to simulate liquid configurations in two-dimensional porous media at varying water contents for different gravity conditions and measured gas diffusion through the media using a multicomponent lattice Boltzmann code. The relative diffusion coefficients (D rel) for simulations with and without gravity as functions of air-filled porosity were in good agreement with measured data and established models. We found significant differences in liquid configuration in porous media, leading to reductions in D rel of up to 25% under zero gravity. The study highlights potential applications of the lattice Boltzmann method for rapid and cost-effective evaluation of alternative plant growth media designs under variable gravity.

(n, N) type maintenance policy for multi-component systems with failure interactions

NASA Astrophysics Data System (ADS)

Zhang, Zhuoqi; Wu, Su; Li, Binfeng; Lee, Seungchul

2015-04-01

This paper studies maintenance policies for multi-component systems in which failure interactions and opportunistic maintenance (OM) involve. This maintenance problem can be formulated as a Markov decision process (MDP). However, since an action set and state space in MDP exponentially expand as the number of components increase, traditional approaches are computationally intractable. To deal with curse of dimensionality, we decompose such a multi-component system into mutually influential single-component systems. Each single-component system is formulated as an MDP with the objective of minimising its long-run average maintenance cost. Under some reasonable assumptions, we prove the existence of the optimal (n, N) type policy for a single-component system. An algorithm to obtain the optimal (n, N) type policy is also proposed. Based on the proposed algorithm, we develop an iterative approximation algorithm to obtain an acceptable maintenance policy for a multi-component system. Numerical examples find that failure interactions and OM pose significant effects on a maintenance policy.

EDITORIAL: Measurement techniques for multiphase flows Measurement techniques for multiphase flows

NASA Astrophysics Data System (ADS)

Okamoto, Koji; Murai, Yuichi

2009-11-01

Research on multiphase flows is very important for industrial applications, including power stations, vehicles, engines, food processing and so on. Multiphase flows originally have nonlinear features because of multiphase systems. The interaction between the phases plays a very interesting role in the flows. The nonlinear interaction causes the multiphase flows to be very complicated. Therefore techniques for measuring multiphase flows are very useful in helping to understand the nonlinear phenomena. The state-of-the-art measurement techniques were presented and discussed at the sixth International Symposium on Measurement Techniques for Multiphase Flows (ISMTMF2008) held in Okinawa, Japan, on 15-17 December 2008. This special feature of Measurement Science and Technology includes selected papers from ISMTMF2008. Okinawa has a long history as the Ryukyus Kingdom. China, Japan and many western Pacific countries have had cultural and economic exchanges through Okinawa for over 1000 years. Much technical and scientific information was exchanged at the symposium in Okinawa. The proceedings of ISMTMF2008 apart from these special featured papers were published in Journal of Physics: Conference Series vol. 147 (2009). We would like to express special thanks to all the contributors to the symposium and this special feature. This special feature will be a milestone in measurement techniques for multiphase flows.

Nonequilibrium Contribution to the Rate of Reaction. III. Isothermal Multicomponent Systems

DOE R&D Accomplishments Database

Shizgal, B.; Karplus, M.

1970-10-01

The nonequilibrium contribution to the reaction rate of an isothermal multicomponent system is obtained by solution of the appropriate Chapman-Enskog equation; the system is composed of reactive species in contact with a heat bath of inert atoms M.

Rapid correction of electron microprobe data for multicomponent metallic systems

NASA Technical Reports Server (NTRS)

Gupta, K. P.; Sivakumar, R.

1973-01-01

This paper describes an empirical relation for the correction of electron microprobe data for multicomponent metallic systems. It evaluates the empirical correction parameter, a for each element in a binary alloy system using a modification of Colby's MAGIC III computer program and outlines a simple and quick way of correcting the probe data. This technique has been tested on a number of multicomponent metallic systems and the agreement with the results using theoretical expressions is found to be excellent. Limitations and suitability of this relation are discussed and a model calculation is also presented in the Appendix.

DEVELOPMENT AND OPTIMIZATION OF GAS-ASSISTED GRAVITY DRAINAGE (GAGD) PROCESS FOR IMPROVED LIGHT OIL RECOVERY

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

Dandina N. Rao; Subhash C. Ayirala; Madhav M. Kulkarni

This report describes the progress of the project ''Development And Optimization of Gas-Assisted Gravity Drainage (GAGD) Process for Improved Light Oil Recovery'' for the duration of the thirteenth project quarter (Oct 1, 2005 to Dec 30, 2005). There are three main tasks in this research project. Task 1 is a scaled physical model study of the GAGD process. Task 2 is further development of a vanishing interfacial tension (VIT) technique for miscibility determination. Task 3 is determination of multiphase displacement characteristics in reservoir rocks. Section I reports experimental work designed to investigate wettability effects of porous medium, on secondary andmore » tertiary mode GAGD performance. The experiments showed a significant improvement of oil recovery in the oil-wet experiments versus the water-wet runs, both in secondary as well as tertiary mode. When comparing experiments conducted in secondary mode to those run in tertiary mode an improvement in oil recovery was also evident. Additionally, this section summarizes progress made with regard to the scaled physical model construction and experimentation. The purpose of building a scaled physical model, which attempts to include various multiphase mechanics and fluid dynamic parameters operational in the field scale, was to incorporate visual verification of the gas front for viscous instabilities, capillary fingering, and stable displacement. Preliminary experimentation suggested that construction of the 2-D model from sintered glass beads was a feasible alternative. During this reporting quarter, several sintered glass mini-models were prepared and some preliminary experiments designed to visualize gas bubble development were completed. In Section II, the gas-oil interfacial tensions measured in decane-CO{sub 2} system at 100 F and live decane consisting of 25 mole% methane, 30 mole% n-butane and 45 mole% n-decane against CO{sub 2} gas at 160 F have been modeled using the Parachor and newly proposed mechanistic Parachor models. In the decane-CO{sub 2} binary system, Parachor model was found to be sufficient for interfacial tension calculations. The predicted miscibility from the Parachor model deviated only by about 2.5% from the measured VIT miscibility. However, in multicomponent live decane-CO{sub 2} system, the performance of the Parachor model was poor, while good match of interfacial tension predictions has been obtained experimentally using the proposed mechanistic Parachor model. The predicted miscibility from the mechanistic Parachor model accurately matched with the measured VIT miscibility in live decane-CO2 system, which indicates the suitability of this model to predict miscibility in complex multicomponent hydrocarbon systems. In the previous reports to the DOE (15323R07, Oct 2004; 15323R08, Jan 2005; 15323R09, Apr 2005; 15323R10, July 2005 and 154323, Oct 2005), the 1-D experimental results from dimensionally scaled GAGD and WAG corefloods were reported for Section III. Additionally, since Section I reports the experimental results from 2-D physical model experiments; this section attempts to extend this 2-D GAGD study to 3-D (4-phase) flow through porous media and evaluate the performance of these processes using reservoir simulation. Section IV includes the technology transfer efforts undertaken during the quarter. This research work resulted in one international paper presentation in Tulsa, OK; one journal publication; three pending abstracts for SCA 2006 Annual Conference and an invitation to present at the Independents Day session at the IOR Symposium 2006.« less

Dispersive—diffusive transport of non-sorbed solute in multicomponent solutions

NASA Astrophysics Data System (ADS)

Hu, Qinhong; Brusseau, Mark L.

1995-10-01

The composition of fuels, mixed-solvent wastes and other contaminants that find their way into the subsurface are frequently chemically complex. The dispersion and diffusion characteristics of multicomponent solutions in soil have rarely been compared to equivalent single-solute systems. The purpose of this work was to examine the diffusive and dispersive transport of single- and multi-component solutions in homogeneous porous media. The miscible displacement technique was used to investigate the transport behavior of 14C-labelled 2,4-dichlorophenoxyacetic acid ( 2,4-D) in two materials for which sorption of 2,4-D was minimal. Comparison of breakthrough curves collected for 2,4-D in single- and multi-component solutions shows that there is little, if any, difference in transport behavior over a wide range of pore-water velocities (70, 7, 0.66 and 0.06 cm h -1). Thus, dispersivities measured with a non-sorbing single-solute solution should be applicable to multicomponent systems.

Mineralogical Controls over Carbon Storage and Residence Times in Grassland Soils

NASA Astrophysics Data System (ADS)

Dwivedi, D.; Riley, W. J.; Torn, M. S.; Spycher, N.

2014-12-01

Globally, soil organic matter (SOM) contains approximately three times more carbon than the atmosphere and terrestrial vegetation contain combined. However, it is not well understood why some SOM persists for a long time while other SOM decomposes quickly. For future climate predictions, representing soil organic matter (SOM) dynamics accurately in Earth system models is essential. Soil minerals stabilize organic carbon in soil; however, there are gaps in our understanding of how soil mineralogy controls the quantity and turnover of long-residence-time organic carbon. To investigate the impact of soil mineralogy on SOM dynamics, we used a new model (Biotic and Abiotic Model of SOM—BAMS1 [Riley et al., 2014]) integrated with a three-dimensional, multiphase reactive transport solver (TOUGHREACT). The model represents bacterial and fungal activity, archetypal polymer and monomer carbon substrate groups, aqueous chemistry, gaseous diffusion, aqueous advection and diffusion, and adsorption and desorption processes. BAMS1 can predict bulk SOM and radiocarbon signatures without resorting to an arbitrary depth-dependent decline in SOM turnover rates. Results show a reasonable match between observed and simulated depth-resolved SOM and Δ14C in grassland ecosystems (soils formed on terraces south of Eureka, California, and the Central Chernozem Region of Russia) and were consistent with expectations of depth-resolved profiles of lignin content and fungi:aerobic bacteria ratios. Results also suggest that clay-mineral surface area and soil sorption coefficients constitute dominant controls over organic carbon stocks and residence times, respectively. Bibliography: Riley, W.J., F.M. Maggi, M. Kleber, M.S. Torn, J.Y. Tang, D. Dwivedi, and N. Guerry (2014), Long residence times of rapidly decomposable soil organic matter: application of a multi-phase, multi-component, and vertically resolved model (BAMS1) to soil carbon dynamics, Geoscientific Model Development, vol. 7, 1335-2014, doi:10.5194/gmd-7-1335-2014.

TOUGH2 User's Guide Version 2

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

Pruess, K.; Oldenburg, C.M.; Moridis, G.J.

1999-11-01

TOUGH2 is a numerical simulator for nonisothermal flows of multicomponent, multiphase fluids in one, two, and three-dimensional porous and fractured media. The chief applications for which TOUGH2 is designed are in geothermal reservoir engineering, nuclear waste disposal, environmental assessment and remediation, and unsaturated and saturated zone hydrology. TOUGH2 was first released to the public in 1991; the 1991 code was updated in 1994 when a set of preconditioned conjugate gradient solvers was added to allow a more efficient solution of large problems. The current Version 2.0 features several new fluid property modules and offers enhanced process modeling capabilities, such asmore » coupled reservoir-wellbore flow, precipitation and dissolution effects, and multiphase diffusion. Numerous improvements in previously released modules have been made and new user features have been added, such as enhanced linear equation solvers, and writing of graphics files. The T2VOC module for three-phase flows of water, air and a volatile organic chemical (VOC), and the T2DM module for hydrodynamic dispersion in 2-D flow systems have been integrated into the overall structure of the code and are included in the Version 2.0 package. Data inputs are upwardly compatible with the previous version. Coding changes were generally kept to a minimum, and were only made as needed to achieve the additional functionalities desired. TOUGH2 is written in standard FORTRAN77 and can be run on any platform, such as workstations, PCs, Macintosh, mainframe and supercomputers, for which appropriate FORTRAN compilers are available. This report is a self-contained guide to application of TOUGH2 to subsurface flow problems. It gives a technical description of the TOUGH2 code, including a discussion of the physical processes modeled, and the mathematical and numerical methods used. Illustrative sample problems are presented along with detailed instructions for preparing input data.« less

DEVELOPMENT OF AN IMPROVED SIMULATOR FOR CHEMICAL AND MICROBIAL IOR METHODS

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

Gary A. Pope; Kamy Sepehrnoori; Mojdeh Delshad

2001-10-01

This is the final report of a three-year research project on further development of a chemical and microbial improved oil recovery reservoir simulator. The objective of this research was to extend the capability of an existing simulator (UTCHEM) to improved oil recovery methods which use surfactants, polymers, gels, alkaline chemicals, microorganisms and foam as well as various combinations of these in both conventional and naturally fractured oil reservoirs. The first task was the addition of a dual-porosity model for chemical IOR in naturally fractured oil reservoirs. They formulated and implemented a multiphase, multicomponent dual porosity model for enhanced oil recoverymore » from naturally fractured reservoirs. The multiphase dual porosity model was tested against analytical solutions, coreflood data, and commercial simulators. The second task was the addition of a foam model. They implemented a semi-empirical surfactant/foam model in UTCHEM and validated the foam model by comparison with published laboratory data. The third task addressed several numerical and coding enhancements that will greatly improve its versatility and performance. Major enhancements were made in UTCHEM output files and memory management. A graphical user interface to set up the simulation input and to process the output data on a Windows PC was developed. New solvers for solving the pressure equation and geochemical system of equations were implemented and tested. A corner point grid geometry option for gridding complex reservoirs was implemented and tested. Enhancements of physical property models for both chemical and microbial IOR simulations were included in the final task of this proposal. Additional options for calculating the physical properties such as relative permeability and capillary pressure were added. A microbiological population model was developed and incorporated into UTCHEM. They have applied the model to microbial enhanced oil recovery (MEOR) processes by including the capability of permeability reduction due to biomass growth and retention. The formations of bio-products such as surfactant and polymer surfactant have also been incorporated.« less

Incorporating physically-based microstructures in materials modeling: Bridging phase field and crystal plasticity frameworks

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

Lim, Hojun; Abdeljawad, Fadi; Owen, Steven J.

Here, the mechanical properties of materials systems are highly influenced by various features at the microstructural level. The ability to capture these heterogeneities and incorporate them into continuum-scale frameworks of the deformation behavior is considered a key step in the development of complex non-local models of failure. In this study, we present a modeling framework that incorporates physically-based realizations of polycrystalline aggregates from a phase field (PF) model into a crystal plasticity finite element (CP-FE) framework. Simulated annealing via the PF model yields ensembles of materials microstructures with various grain sizes and shapes. With the aid of a novel FEmore » meshing technique, FE discretizations of these microstructures are generated, where several key features, such as conformity to interfaces, and triple junction angles, are preserved. The discretizations are then used in the CP-FE framework to simulate the mechanical response of polycrystalline α-iron. It is shown that the conformal discretization across interfaces reduces artificial stress localization commonly observed in non-conformal FE discretizations. The work presented herein is a first step towards incorporating physically-based microstructures in lieu of the overly simplified representations that are commonly used. In broader terms, the proposed framework provides future avenues to explore bridging models of materials processes, e.g. additive manufacturing and microstructure evolution of multi-phase multi-component systems, into continuum-scale frameworks of the mechanical properties.« less

MMA-EoS: A Computational Framework for Mineralogical Thermodynamics

NASA Astrophysics Data System (ADS)

Chust, T. C.; Steinle-Neumann, G.; Dolejš, D.; Schuberth, B. S. A.; Bunge, H.-P.

2017-12-01

We present a newly developed software framework, MMA-EoS, that evaluates phase equilibria and thermodynamic properties of multicomponent systems by Gibbs energy minimization, with application to mantle petrology. The code is versatile in terms of the equation-of-state and mixing properties and allows for the computation of properties of single phases, solution phases, and multiphase aggregates. Currently, the open program distribution contains equation-of-state formulations widely used, that is, Caloric-Murnaghan, Caloric-Modified-Tait, and Birch-Murnaghan-Mie-Grüneisen-Debye models, with published databases included. Through its modular design and easily scripted database, MMA-EoS can readily be extended with new formulations of equations-of-state and changes or extensions to thermodynamic data sets. We demonstrate the application of the program by reproducing and comparing physical properties of mantle phases and assemblages with previously published work and experimental data, successively increasing complexity, up to computing phase equilibria of six-component compositions. Chemically complex systems allow us to trace the budget of minor chemical components in order to explore whether they lead to the formation of new phases or extend stability fields of existing ones. Self-consistently computed thermophysical properties for a homogeneous mantle and a mechanical mixture of slab lithologies show no discernible differences that require a heterogeneous mantle structure as has been suggested previously. Such examples illustrate how thermodynamics of mantle mineralogy can advance the study of Earth's interior.

Incorporating physically-based microstructures in materials modeling: Bridging phase field and crystal plasticity frameworks

DOE PAGES

Lim, Hojun; Abdeljawad, Fadi; Owen, Steven J.; ...

2016-04-25

Here, the mechanical properties of materials systems are highly influenced by various features at the microstructural level. The ability to capture these heterogeneities and incorporate them into continuum-scale frameworks of the deformation behavior is considered a key step in the development of complex non-local models of failure. In this study, we present a modeling framework that incorporates physically-based realizations of polycrystalline aggregates from a phase field (PF) model into a crystal plasticity finite element (CP-FE) framework. Simulated annealing via the PF model yields ensembles of materials microstructures with various grain sizes and shapes. With the aid of a novel FEmore » meshing technique, FE discretizations of these microstructures are generated, where several key features, such as conformity to interfaces, and triple junction angles, are preserved. The discretizations are then used in the CP-FE framework to simulate the mechanical response of polycrystalline α-iron. It is shown that the conformal discretization across interfaces reduces artificial stress localization commonly observed in non-conformal FE discretizations. The work presented herein is a first step towards incorporating physically-based microstructures in lieu of the overly simplified representations that are commonly used. In broader terms, the proposed framework provides future avenues to explore bridging models of materials processes, e.g. additive manufacturing and microstructure evolution of multi-phase multi-component systems, into continuum-scale frameworks of the mechanical properties.« less

Mixing and Demixing Processes in Multiphase Flows With Application to Propulsion Systems

NASA Technical Reports Server (NTRS)

Decker, Rand (Editor); Schafer, Charles F. (Editor)

1988-01-01

A workshop on transport processes in multiphase flow was held at the Marshall Space Flight Center on February 25 and 26, 1988. The program, abstracts and text of the presentations at this workshop are presented. The objective of the workshop was to enhance our understanding of mass, momentum, and energy transport processes in laminar and turbulent multiphase shear flows in combustion and propulsion environments.

Computational Fluid Dynamics Modeling of Macrosegregation and Shrinkage in Large-Diameter Steel Roll Castings

NASA Astrophysics Data System (ADS)

Nastac, Laurentiu

2011-12-01

Minimizing macrosegregation and shrinkage in large cast steel mill rolls challenges the limits of commercial foundry technology. Processing improvements have been achieved by balancing the total heat input of casting with the rate of heat extraction from the surface of the roll in the mold. A submerged entry nozzle (SEN) technique that injects a dilute alloy addition through a nozzle into the partially solidified net-shaped roll ingot can mitigate both centerline segregation and midradius channel segregate conditions. The objective of this study is to optimize the melt chemistry, solidification, and SEN conditions to minimize centerline and midradius segregation, and then to improve the quality of the transition region between the outer shell and the diluted interior region. To accomplish this objective, a multiphase, multicomponent computational fluid dynamics (CFD) code was developed for studying the macrosegregation and shrinkage under various casting conditions for a 65-ton, 1.6-m-diameter steel roll. The developed CFD framework consists of solving for the volume fraction of phases (air and steel mixture), temperature, flow, and solute balance in multicomponent alloy systems. Thermal boundary conditions were determined by measuring the temperature in the mold at several radial depths and height locations. The thermophysical properties including viscosity of steel alloy used in the simulations are functions of temperature. The steel mixture in the species-transfer model consists of the following elements: Fe, Mn, Si, S, P, C, Cr, Mo, and V. Density and liquidus temperature of the steel mixture are locally affected by the segregation of these elements. The model predictions were validated against macrosegregation measured from pieces cut from the 65-ton roll. The effect of key processing parameters such as melt composition and superheat of both the shell and the dilute interior alloy are addressed. The influence of mold type and thickness on macrosegregation and shrinkage also are discussed.

[Effect of multicomponent environment on intestinal permeability of puerarin in biopharmaceutics classification system of Chinese materia medica].

PubMed

Liu, Yang; Wang, Gang; Dong, Ling; Tang, Ming-Min; Zhu, Mei-Ling; Dong, Hong-Huant; Hou, Cheng-Bo

2014-12-01

The evaluation of permeability in biopharmaceutics classification system of Chinese materia medica (CMMBCS) requires multicomponent as a whole in order to conduct research, even in the study of a specific component, should also be put in the multicomponent environment. Based on this principle, the high content components in Gegen Qinlian decoction were used as multicomponent environmental impact factors in the experiment, and the relevant parameters of intestinal permeability about puerarin were measured with using in situ single-pass intestinal perfusion model, to investigate and evaluate the intestinal permeability of puerarin with other high content components. The experimental results showed that different proportions of baicalin, glycyrrhizic acid and berberine had certain influence on intestinal permeability of puerarin, and glycyrrhizic acid could significantly inhibit the intestinal absorption of puerarin, moreover, high concentration of berberine could promote the absorption of puerarin. The research results indicated that the important research ideas of permeability evaluation in biopharmaceutics classification system of Chinese materia medica with fully considering the effects of other ingredients in multicomponent environment.

Efficient Reservoir Simulation with Cubic Plus Association and Cross-Association Equation of State for Multicomponent Three-Phase Compressible Flow with Applications in CO2 Storage and Methane Leakage

NASA Astrophysics Data System (ADS)

Moortgat, J.

2017-12-01

We present novel simulation tools to model multiphase multicomponent flow and transport in porous media for mixtures that contain non-polar hydrocarbons, self-associating polar water, and cross-associating molecules like methane, ethane, unsaturated hydrocarbons, CO2 and H2S. Such mixtures often occur when CO2 is injected and stored in saline aquifers, or when methane is leaking into groundwater. To accurately predict the species transfer between aqueous, gaseous and oleic phases, and the subsequent change in phase properties, the self- and cross-associating behavior of molecules needs to be taken into account, particularly at the typical temperatures and pressures in deep formations. The Cubic-Plus-Association equation-of-state (EOS) has been demonstrated to be highly accurate for such problems but its excessive computational cost has prevented widespread use in reservoir simulators. We discuss the thermodynamical framework and develop sophisticated numerical algorithms that allow reservoir simulations with efficiencies comparable to a simple cubic EOS. This approach improves our predictive powers for highly nonlinear fluid behavior related to geological carbon sequestration, such as density driven flow and natural convection (solubility trapping), evaporation of water into the CO2-rich gas phase, and competitive dissolution-evaporation when CO2 is injected in, e.g., methane saturated aquifers. Several examples demonstrate the accuracy and robustness of this EOS framework for complex applications.

Methods, systems and apparatus for adjusting duty cycle of pulse width modulated (PWM) waveforms

DOEpatents

Gallegos-Lopez, Gabriel; Kinoshita, Michael H; Ransom, Ray M; Perisic, Milun

2013-05-21

Embodiments of the present invention relate to methods, systems and apparatus for controlling operation of a multi-phase machine in a vector controlled motor drive system when the multi-phase machine operates in an overmodulation region. The disclosed embodiments provide a mechanism for adjusting a duty cycle of PWM waveforms so that the correct phase voltage command signals are applied at the angle transitions. This can reduce variations/errors in the phase voltage command signals applied to the multi-phase machine so that phase current may be properly regulated thus reducing current/torque oscillation, which can in turn improve machine efficiency and performance, as well as utilization of the DC voltage source.

System for measuring multiphase flow using multiple pressure differentials

DOEpatents

Fincke, James R.

2003-01-01

An improved method and system for measuring a multi-phase flow in a pressure flow meter. An extended throat venturi is used and pressure of the multi-phase flow is measured at three or more positions in the venturi, which define two or more pressure differentials in the flow conduit. The differential pressures are then used to calculate the mass flow of the gas phase, the total mass flow, and the liquid phase. The system for determining the mass flow of the high void fraction fluid flow and the gas flow includes taking into account a pressure drop experienced by the gas phase due to work performed by the gas phase in accelerating the liquid phase.

Multiphase complete exchange on Paragon, SP2 and CS-2

NASA Technical Reports Server (NTRS)

Bokhari, Shahid H.

1995-01-01

The overhead of interprocessor communication is a major factor in limiting the performance of parallel computer systems. The complete exchange is the severest communication pattern in that it requires each processor to send a distinct message to every other processor. This pattern is at the heart of many important parallel applications. On hypercubes, multiphase complete exchange has been developed and shown to provide optimal performance over varying message sizes. Most commercial multicomputer systems do not have a hypercube interconnect. However, they use special purpose hardware and dedicated communication processors to achieve very high performance communication and can be made to emulate the hypercube quite well. Multiphase complete exchange has been implemented on three contemporary parallel architectures: the Intel Paragon, IBM SP2 and Meiko CS-2. The essential features of these machines are described and their basic interprocessor communication overheads are discussed. The performance of multiphase complete exchange is evaluated on each machine. It is shown that the theoretical ideas developed for hypercubes are also applicable in practice to these machines and that multiphase complete exchange can lead to major savings in execution time over traditional solutions.

Practical modeling approaches for geological storage of carbon dioxide.

PubMed

Celia, Michael A; Nordbotten, Jan M

2009-01-01

The relentless increase of anthropogenic carbon dioxide emissions and the associated concerns about climate change have motivated new ideas about carbon-constrained energy production. One technological approach to control carbon dioxide emissions is carbon capture and storage, or CCS. The underlying idea of CCS is to capture the carbon before it emitted to the atmosphere and store it somewhere other than the atmosphere. Currently, the most attractive option for large-scale storage is in deep geological formations, including deep saline aquifers. Many physical and chemical processes can affect the fate of the injected CO2, with the overall mathematical description of the complete system becoming very complex. Our approach to the problem has been to reduce complexity as much as possible, so that we can focus on the few truly important questions about the injected CO2, most of which involve leakage out of the injection formation. Toward this end, we have established a set of simplifying assumptions that allow us to derive simplified models, which can be solved numerically or, for the most simplified cases, analytically. These simplified models allow calculation of solutions to large-scale injection and leakage problems in ways that traditional multicomponent multiphase simulators cannot. Such simplified models provide important tools for system analysis, screening calculations, and overall risk-assessment calculations. We believe this is a practical and important approach to model geological storage of carbon dioxide. It also serves as an example of how complex systems can be simplified while retaining the essential physics of the problem.

Use of food and packaging model matrices to investigate the antioxidant properties of biorefinery grass lignins.

PubMed

Aguié-Béghin, Véronique; Foulon, Laurence; Soto, Paola; Crônier, David; Corti, Elena; Legée, Frédéric; Cézard, Laurent; Chabbert, Brigitte; Maillard, Marie-Noëlle; Huijgen, Wouter J J; Baumberger, Stéphanie

2015-11-18

The antioxidant properties of grass lignins recovered from an alkaline industrial process and from different ethanol organosolv pretreatment processes were compared using two types of tests: (i) classical radical 2,2'-diphenyl-1-picrylhydrazyl (DPPH(•)) scavenging tests in dioxane/water or ethanol and (ii) tests involving multiphasic systems (lipid dispersion in water or cellulose film suspended in ethanol). These multiphasic systems were representative of food and packaging matrices in view of high-value applications. All lignins, in solution or in the film, effectively scavenged radicals. Moreover, they were competitive with a food commercial rosemary extract to protect linoleic acid against oxidation. Whereas the DPPH(•) test in dioxane was not discriminant, differences appeared between lignins when the test was performed in ethanol or with the multiphasic systems. Moreover, radical scavenging activity was preserved in the film even after its immersion in ethanol. Structural analysis of lignins revealed that low-molar-mass phenolics, namely p-hydroxycinnamic acids and lignin depolymerization products, governed lignin antioxidant properties in the multiphasic systems.

Methods for compressible multiphase flows and their applications

NASA Astrophysics Data System (ADS)

Kim, H.; Choe, Y.; Kim, H.; Min, D.; Kim, C.

2018-06-01

This paper presents an efficient and robust numerical framework to deal with multiphase real-fluid flows and their broad spectrum of engineering applications. A homogeneous mixture model incorporated with a real-fluid equation of state and a phase change model is considered to calculate complex multiphase problems. As robust and accurate numerical methods to handle multiphase shocks and phase interfaces over a wide range of flow speeds, the AUSMPW+_N and RoeM_N schemes with a system preconditioning method are presented. These methods are assessed by extensive validation problems with various types of equation of state and phase change models. Representative realistic multiphase phenomena, including the flow inside a thermal vapor compressor, pressurization in a cryogenic tank, and unsteady cavitating flow around a wedge, are then investigated as application problems. With appropriate physical modeling followed by robust and accurate numerical treatments, compressible multiphase flow physics such as phase changes, shock discontinuities, and their interactions are well captured, confirming the suitability of the proposed numerical framework to wide engineering applications.

General multicomponent Yajima-Oikawa system: Painlevé analysis, soliton solutions, and energy-sharing collisions.

PubMed

Kanna, T; Sakkaravarthi, K; Tamilselvan, K

2013-12-01

We consider the multicomponent Yajima-Oikawa (YO) system and show that the two-component YO system can be derived in a physical setting of a three-coupled nonlinear Schrödinger (3-CNLS) type system by the asymptotic reduction method. The derivation is further generalized to the multicomponent case. This set of equations describes the dynamics of nonlinear resonant interaction between a one-dimensional long wave and multiple short waves. The Painlevé analysis of the general multicomponent YO system shows that the underlying set of evolution equations is integrable for arbitrary nonlinearity coefficients which will result in three different sets of equations corresponding to positive, negative, and mixed nonlinearity coefficients. We obtain the general bright N-soliton solution of the multicomponent YO system in the Gram determinant form by using Hirota's bilinearization method and explicitly analyze the one- and two-soliton solutions of the multicomponent YO system for the above mentioned three choices of nonlinearity coefficients. We also point out that the 3-CNLS system admits special asymptotic solitons of bright, dark, anti-dark, and gray types, when the long-wave-short-wave resonance takes place. The short-wave component solitons undergo two types of energy-sharing collisions. Specifically, in the two-component YO system, we demonstrate that two types of energy-sharing collisions-(i) energy switching with opposite nature for a particular soliton in two components and (ii) similar kind of energy switching for a given soliton in both components-result for two different choices of nonlinearity coefficients. The solitons appearing in the long-wave component always exhibit elastic collision whereas those of short-wave components exhibit standard elastic collisions only for a specific choice of parameters. We have also investigated the collision dynamics of asymptotic solitons in the original 3-CNLS system. For completeness, we explore the three-soliton interaction and demonstrate the pairwise nature of collisions and unravel the fascinating state restoration property.

Gauge transformation and symmetries of the commutative multicomponent BKP hierarchy

NASA Astrophysics Data System (ADS)

Li, Chuanzhong

2016-01-01

In this paper, we defined a new multi-component B type Kadomtsev-Petviashvili (BKP) hierarchy that takes values in a commutative subalgebra of {gl}(N,{{C}}). After this, we give the gauge transformation of this commutative multicomponent BKP (CMBKP) hierarchy. Meanwhile, we construct a new constrained CMBKP hierarchy that contains some new integrable systems, including coupled KdV equations under a certain reduction. After this, the quantum torus symmetry and quantum torus constraint on the tau function of the commutative multi-component BKP hierarchy will be constructed.

The Solidification of Multicomponent Alloys

PubMed Central

Boettinger, William J.

2017-01-01

Various topics taken from the author’s research portfolio that involve multicomponent alloy solidification are reviewed. Topics include: ternary eutectic solidification and Scheil-Gulliver paths in ternary systems. A case study of the solidification of commercial 2219 aluminum alloy is described. Also described are modifications of the Scheil-Gulliver analysis to treat dendrite tip kinetics and solid diffusion for multicomponent alloys. PMID:28819348

GROUNDWATER MASS TRANSPORT AND EQUILIBRIUM CHEMISTRY MODEL FOR MULTICOMPONENT SYSTEMS

EPA Science Inventory

A mass transport model, TRANQL, for a multicomponent solution system has been developed. The equilibrium interaction chemistry is posed independently of the mass transport equations which leads to a set of algebraic equations for the chemistry coupled to a set of differential equ...

FOREWORD: International Symposium of Cavitation and Multiphase Flow (ISCM 2014)

NASA Astrophysics Data System (ADS)

Wu, Yulin

2015-01-01

The International Symposium on Cavitation and Multiphase Flow (ISCM 2014) was held in Beijing, China during 18th-21st October, 2014, which was jointly organized by Tsinghua University, Beijing, China and Jiangsu University, Zhenjiang, China. The co-organizer was the State Key Laboratory of Hydroscience and Engineering, Beijing, China. Cavitation and multiphase flow is one of paramount topics of fluid mechanics with many engineering applications covering a broad range of topics, e.g. hydraulic machinery, biomedical engineering, chemical and process industry. In order to improve the performances of engineering facilities (e.g. hydraulic turbines) and to accelerate the development of techniques for medical treatment of serious diseases (e.g. tumors), it is essential to improve our understanding of cavitation and Multiphase Flow. For example, the present development towards the advanced hydrodynamic systems (e.g. space engine, propeller, hydraulic machinery system) often requires that the systems run under cavitating conditions and the risk of cavitation erosion needs to be controlled. The purpose of the ISCM 2014 was to discuss the state-of-the-art cavitation and multiphase flow research and their up-to-date applications, and to foster discussion and exchange of knowledge, and to provide an opportunity for the researchers, engineers and graduate students to report their latest outputs in these fields. Furthermore, the participants were also encouraged to present their work in progress with short lead time and discuss the encountered problems. ISCM 2014 covers all aspects of cavitation and Multiphase Flow, e.g. both fundamental and applied research with a focus on physical insights, numerical modelling and applications in engineering. Some specific topics are: Cavitating and Multiphase Flow in hydroturbines, pumps, propellers etc. Numerical simulation techniques Cavitation and multiphase flow erosion and anti-erosion techniques Measurement techniques for cavitation and multiphase flow detection Fluid-structure interaction induced by cavitation and multiphase flow Multi-scale modelling of cavitating flows and Multiphase Flow Cavitation nuclei: theory and experiments Supercavitation and its applications Synergetic effects of cavitation and silt-laden erosion Shock waves and microjets generated by cavitation Nonlinear oscillations of gas and vapour bubbles Fundamentals of physics of acoustic cavitation Sonochemistry and sonoluminescence Biomedical applications of cavitation effects Ultrasonic cavitation for molten metal treatment Cavitation for enhanced heat transfer The ISCM 2014 brought together 95 scientists, researchers and graduate students from 11 countries, affiliated with universities, technology centers and industrial firms to debate topics related to advanced technologies for cavitation and Multiphase Flow, which would enhance the sustainable development of cavitation and Multiphase Flow in interdisciplinary sciences and technology. The technical committee selected 54 technical papers on the following topics: (i) Hydrodynamic Cavitation, (ii) Super Cavitation, (iii) Pump Cavitation, (iv) Acoustic Cavitation, (v) Interdisciplinary Research of Cavitation and Multi-Phase Flows, and 13 invited plenary and invited forum lectures, which were presented at the symposium, to be included in the proceedings. All the papers of ISCM 2014, which are published in this Volume of IOP Conference Series: Materials Science and Engineering, had been peer reviewed through processes administered by the editors of the ISCM 2014, those are Yulin WU, Shouqi YUAN, Zhengwei WANG, Shuhong LIU, Xingqi LUO, Fujun WANG and Guoyu WANG. The papers published in this Volume include 54 technical papers and 3 full length texts of the invited lectures. We sincerely hope that the International Symposium on Cavitation and Multiphase Flow is a significant step forward in the world wide efforts to address the present challenges in the modern science and technology. Professor Yulin WU Chairman of the Local Organizing Committee International Symposium on Cavitation and Multiphase Flow (ISCM 2014) October, 2014

Characterization of Magma-Driven Hydrothermal Systems at Oceanic Spreading Centers

NASA Astrophysics Data System (ADS)

Farough, A.; Lowell, R. P.; Corrigan, R.

2012-12-01

Fluid circulation in high-temperature hydrothermal systems involves complex water-rock chemical reactions and phase separation. Numerical modeling of reactive transport in multi-component, multiphase systems is required to obtain a full understanding of the characteristics and evolution of hydrothermal vent systems. We use a single-pass parameterized model of high-temperature hydrothermal circulation at oceanic spreading centers constrained by observational parameters such as vent temperature, heat output, and vent field area, together with surface area and depth of the sub-axial magma chamber, to deduce fundamental hydrothermal parameters such as mass flow rate, bulk permeability, conductive boundary layer thickness at the base of the system, magma replenishment rate, and residence time in the discharge zone. All of these key subsurface characteristics are known for fewer than 10 sites out of 300 known hydrothermal systems. The principal limitations of this approach stem from the uncertainty in heat output and vent field area. For systems where data are available on partitioning of heat and chemical output between focused and diffuse flow, we determined the fraction of high-temperature vent fluid incorporated into diffuse flow using a two-limb single pass model. For EPR 9°50` N and ASHES, the diffuse flow temperatures calculated assuming conservative mixing are nearly equal to the observed temperatures indicating that approximately 80%-90% of the hydrothermal heat output occurs as high-temperature flow derived from magmatic heat even though most of the heat output appears as low-temperature diffuse discharge. For the Main Endeavour Field and Lucky Strike, diffuse flow fluids show significant conductive cooling and heating respectively. Finally, we calculate the transport of various geochemical constituents in focused and diffuse flow at the vent field scale and compare the results with estimates of geochemical transports from the Rainbow hydrothermal field where diffuse flow is absent.

Dissipative effects in multi-component systems

NASA Astrophysics Data System (ADS)

El, Andrej; Bouras, Ioannis; Xu, Zhe; Greiner, Carsten

2013-05-01

Using a smooth initial condition of Glauber type in the kinetic transport algorithm BAMPS we investigate differences in behavior of a multi-component system and its one-component equivalent with the same η/s value. Flow harmonic coefficients v2 and v4 are shown to have very low sensitivity to the details of microscopic interactions in the system.

Properties of Multiphase Polyurethane Systems.

DTIC Science & Technology

1983-07-01

segment - diphenylmethane-diisocyanate/ N - methyldiethanolamine (MDI/ MDEA ). Each polymer was synthesized using a two step reaction technique. The number...OF MULTIPHASE POLYURETHANE SYSTEMS Final Report for Period July 1, 1982-June 30, 1983 Naval Air Systems Command Code 5304 C2 ONavy Contract # N 00019...and COB, UA groups. The existence of 3-dimensional hydrogen bonding (two C-O groups bonded to one N -H group) should shift the COB,UA peak to lower

[An integral chip for the multiphase pulse-duration modulation used for voltage changer in biomedical microprocessor systems].

PubMed

Balashov, A M; Selishchev, S V

2004-01-01

An integral chip (IC) was designed for controlling the step-down pulse voltage converter, which is based on the multiphase pulse-duration modulation, for use in biomedical microprocessor systems. The CMOS technology was an optimal basis for the IC designing. An additional feedback circuit diminishes the output voltage dispersion at dynamically changing loads.

[Construction of biopharmaceutics classification system of Chinese materia medica].

PubMed

Liu, Yang; Wei, Li; Dong, Ling; Zhu, Mei-Ling; Tang, Ming-Min; Zhang, Lei

2014-12-01

Based on the characteristics of multicomponent of traditional Chinese medicine and drawing lessons from the concepts, methods and techniques of biopharmaceutics classification system (BCS) in chemical field, this study comes up with the science framework of biopharmaceutics classification system of Chinese materia medica (CMMBCS). Using the different comparison method of multicomponent level and the CMMBCS method of overall traditional Chinese medicine, the study constructs the method process while setting forth academic thoughts and analyzing theory. The basic role of this system is clear to reveal the interaction and the related absorption mechanism of multicomponent in traditional Chinese medicine. It also provides new ideas and methods for improving the quality of Chinese materia medica and the development of new drug research.

Transferrable monolithic multicomponent system for near-ultraviolet optoelectronics

NASA Astrophysics Data System (ADS)

Qin, Chuan; Gao, Xumin; Yuan, Jialei; Shi, Zheng; Jiang, Yuan; Liu, Yuhuai; Wang, Yongjin; Amano, Hiroshi

2018-05-01

A monolithic near-ultraviolet multicomponent system is implemented on a 0.8-mm-diameter suspended membrane by integrating a transmitter, waveguide, and receiver into a single chip. Two identical InGaN/Al0.10Ga0.90N multiple-quantum well (MQW) diodes are fabricated using the same process flow, which separately function as a transmitter and receiver. There is a spectral overlap between the emission and detection spectra of the MQW diodes. Therefore, the receiver can respond to changes in the emission of the transmitter. The multicomponent system is mechanically transferred from silicon, and the wire-bonded transmitter on glass experimentally demonstrates spatial light transmission at 200 Mbps using non-return-to-zero on–off keying modulation.

Multicomponent self-assembly as a tool to harness new properties from peptides and proteins in material design.

PubMed

Okesola, Babatunde O; Mata, Alvaro

2018-05-21

Nature is enriched with a wide variety of complex, synergistic, and highly functional protein-based multicomponent assemblies. As such, nature has served as a source of inspiration for using multicomponent self-assembly as a platform to create highly ordered, complex, and dynamic protein and peptide-based nanostructures. Such an assembly system relies on the initial interaction of distinct individual building blocks leading to the formation of a complex that subsequently assembles into supramolecular architectures. This approach not only serves as a powerful platform for gaining insight into how proteins co-assemble in nature but also offers huge opportunities to harness new properties not inherent in the individual building blocks. In the past decades, various multicomponent self-assembly strategies have been used to extract synergistic properties from proteins and peptides. This review highlights the updates in the field of multicomponent self-assembly of proteins and peptides and summarizes various strategies, including covalent conjugation, ligand-receptor interactions, templated/directed assembly and non-specific co-assembly, for driving the self-assembly of multiple proteins and peptide-based building blocks into functional materials. In particular, we focus on peptide- or protein-containing multicomponent systems that, upon self-assembly, enable the emergence of new properties or phenomena. The ultimate goal of this review is to highlight the importance of multicomponent self-assembly in protein and peptide engineering, and to advocate its growth in the fields of materials science and nanotechnology.

Effects of resident water and non-equilibrium adsorption on the primary and enhanced coalbed methane gas recovery

NASA Astrophysics Data System (ADS)

Jahediesfanjani, Hossein

The major part of the gas in coalbed methane and shale gas reservoirs is stored as the adsorbed gas in the coal and organic materials of the black shale internal surfaces. The sorption sites in both reservoirs are composed of several macropores that contain very small pore sizes. Therefore, the adsorption/desorption is very slow process and follows a non-equilibrium trend. The time-dependency of the sorption process is further affected by the reservoir resident water. Water can diffuse into the matrix and adsorption sites, plug the pores and affect the reservoir gas production. This study presents an experimental and theoretical procedure to investigate the effects of the resident water and time-dependency of the sorption process on coalbed and shale gas primary and enhanced recovery by simultaneous CO 2/N2 injection. Series of the experiments are conducted to construct both equilibrium and non-equilibrium single and multi-component isotherms with the presence of water. A novel and rapid data interpretation technique is developed based on the nonequilibrium adsorption/desorption thermodynamics, mass conservation law, and volume filling adsorption theory. The developed technique is implemented to construct both equilibrium and non-equilibrium multi-component multi-phase isotherms from the early time experimental measurements. The non-equilibrium isotherms are incorporated in the coalbed methane/shale gas reservoir simulations to account for the time-dependency of the sorption process. The experimental results indicate that the presence of water in the sorption system reduces both carbon dioxide and nitrogen adsorption rates. Reduction in the adsorption rate for carbon dioxide is more than nitrogen. The results also indicate that the resident water reduces the adsorption ability of low rank coals more than high rank ones. The results of the multi-component sorption tests indicate that increasing the initial mole fraction of the nitrogen gas in the injected CO2/N2 mixture will increase the net carbon dioxide sequestration rate on coals in the presence of water. The optimum CO2/N2 ratio that can result in the maximum carbon dioxide sequestration rate can be obtained by conducting the experiments for various CO2/N2 ratios. The results of applying the developed non-equilibrium interpretation technique for several literature and in-house data indicate that both the equilibrium and non-equilibrium isotherms can be constructed in shorter time period (around 70 times less than the time required with the equilibrium techniques) and with higher accuracy using this method. (Abstract shortened by UMI.)

Statistical analysis on the signals monitoring multiphase flow patterns in pipeline-riser system

NASA Astrophysics Data System (ADS)

Ye, Jing; Guo, Liejin

2013-07-01

The signals monitoring petroleum transmission pipeline in offshore oil industry usually contain abundant information about the multiphase flow on flow assurance which includes the avoidance of most undesirable flow pattern. Therefore, extracting reliable features form these signals to analyze is an alternative way to examine the potential risks to oil platform. This paper is focused on characterizing multiphase flow patterns in pipeline-riser system that is often appeared in offshore oil industry and finding an objective criterion to describe the transition of flow patterns. Statistical analysis on pressure signal at the riser top is proposed, instead of normal prediction method based on inlet and outlet flow conditions which could not be easily determined during most situations. Besides, machine learning method (least square supported vector machine) is also performed to classify automatically the different flow patterns. The experiment results from a small-scale loop show that the proposed method is effective for analyzing the multiphase flow pattern.

Tough2{_}MP: A parallel version of TOUGH2

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

Zhang, Keni; Wu, Yu-Shu; Ding, Chris

2003-04-09

TOUGH2{_}MP is a massively parallel version of TOUGH2. It was developed for running on distributed-memory parallel computers to simulate large simulation problems that may not be solved by the standard, single-CPU TOUGH2 code. The new code implements an efficient massively parallel scheme, while preserving the full capacity and flexibility of the original TOUGH2 code. The new software uses the METIS software package for grid partitioning and AZTEC software package for linear-equation solving. The standard message-passing interface is adopted for communication among processors. Numerical performance of the current version code has been tested on CRAY-T3E and IBM RS/6000 SP platforms. Inmore » addition, the parallel code has been successfully applied to real field problems of multi-million-cell simulations for three-dimensional multiphase and multicomponent fluid and heat flow, as well as solute transport. In this paper, we will review the development of the TOUGH2{_}MP, and discuss the basic features, modules, and their applications.« less

Optimization of Multicomponent Behavioral and Biobehavioral Interventions for the Prevention and Treatment of HIV/AIDS

PubMed Central

Collins, Linda M.; Kugler, Kari C.; Gwadz, Marya Viorst

2015-01-01

To move society toward an AIDS-free generation, behavioral interventions for prevention and treatment of HIV/AIDS must be not only effective, but also cost-effective, efficient, and readily scalable. The purpose of this article is to introduce to the HIV/AIDS research community the multiphase optimization strategy (MOST), a new methodological framework inspired by engineering principles and designed to develop behavioral interventions that have these important characteristics. Many behavioral interventions comprise multiple components. In MOST, randomized experimentation is conducted to assess the individual performance of each intervention component, and whether its presence/absence/setting has an impact on the performance of other components. This information is used to engineer an intervention that meets a specific optimization criterion, defined a priori in terms of effectiveness, cost, cost-effectiveness, and/or scalability. MOST will enable intervention science to develop a coherent knowledge base about what works and does not work. Ultimately this will improve behavioral interventions systematically and incrementally. PMID:26238037

Modeling of gun barrel surface erosion: Historic perspective

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

Buckingham, A.C.

1996-08-01

Results and interpretations of numerical simulations of some dominant processes influencing gun barrel propellant combustion and flow-induced erosion are presented. Results include modeled influences of erosion reduction techniques such as solid additives, vapor phase chemical modifications, and alteration of surface solid composition through use of thin coatings. Precedents and historical perspective are provided with predictions from traditional interior ballistics compared to computer simulations. Accelerating reactive combustion flow, multiphase and multicomponent transport, flow-to-surface thermal/momentum/phase change/gas-surface chemical exchanges, surface and micro-depth subsurface heating/stress/composition evolution and their roles in inducing surface cracking, spall, ablation, melting, and vaporization are considered. Recognition is given tomore » cyclic effects of previous firing history on material preconditioning. Current perspective and outlook for future are based on results of a US Army-LLNL erosion research program covering 7 y in late 1970s. This is supplemented by more recent research on hypervelocity electromagnetic projectile launchers.« less

Optimization of Multicomponent Behavioral and Biobehavioral Interventions for the Prevention and Treatment of HIV/AIDS.

PubMed

Collins, Linda M; Kugler, Kari C; Gwadz, Marya Viorst

2016-01-01

To move society toward an AIDS-free generation, behavioral interventions for prevention and treatment of HIV/AIDS must be not only effective, but also cost-effective, efficient, and readily scalable. The purpose of this article is to introduce to the HIV/AIDS research community the multiphase optimization strategy (MOST), a new methodological framework inspired by engineering principles and designed to develop behavioral interventions that have these important characteristics. Many behavioral interventions comprise multiple components. In MOST, randomized experimentation is conducted to assess the individual performance of each intervention component, and whether its presence/absence/setting has an impact on the performance of other components. This information is used to engineer an intervention that meets a specific optimization criterion, defined a priori in terms of effectiveness, cost, cost-effectiveness, and/or scalability. MOST will enable intervention science to develop a coherent knowledge base about what works and does not work. Ultimately this will improve behavioral interventions systematically and incrementally.

BeWell24: development and process evaluation of a smartphone "app" to improve sleep, sedentary, and active behaviors in US Veterans with increased metabolic risk.

PubMed

Buman, Matthew P; Epstein, Dana R; Gutierrez, Monica; Herb, Christine; Hollingshead, Kevin; Huberty, Jennifer L; Hekler, Eric B; Vega-López, Sonia; Ohri-Vachaspati, Punam; Hekler, Andrea C; Baldwin, Carol M

2016-09-01

Lifestyle behaviors across the 24-h spectrum (i.e., sleep, sedentary, and active behaviors) drive metabolic risk. We describe the development and process evaluation of BeWell24, a multicomponent smartphone application (or "app") that targets behavior change in these interdependent behaviors. A community-embedded iterative design framework was used to develop the app. An 8-week multiphase optimization strategy design study was used to test the initial efficacy of the sleep, sedentary, and exercise components of the app. Process evaluation outcomes included objectively measured app usage statistics (e.g., minutes of usage, self-monitoring patterns), user experience interviews, and satisfaction ratings. Participants (N = 26) logged approximately 60 % of their sleep, sedentary, and exercise behaviors, which took 3-4 min/day to complete. Usage of the sleep and sedentary components peaked at week 2 and remained high throughout the intervention. Exercise component use was low. User experiences were mixed, and overall satisfaction was modest.

DIANA: A multi-phase, multi-component hydrodynamic model for the analysis of severe accidents in heavy water reactors with multiple-tube assemblies

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

Tentner, A.M.

1994-03-01

A detailed hydrodynamic fuel relocation model has been developed for the analysis of severe accidents in Heavy Water Reactors with multiple-tube Assemblies. This model describes the Fuel Disruption and Relocation inside a nuclear fuel assembly and is designated by the acronym DIANA. DIANA solves the transient hydrodynamic equations for all the moving materials in the core and treats all the relevant flow regimes. The numerical solution techniques and some of the physical models included in DIANA have been developed taking advantage of the extensive experience accumulated in the development and validation of the LEVITATE (1) fuel relocation model of SAS4Amore » [2, 3]. The model is designed to handle the fuel and cladding relocation in both voided and partially voided channels. It is able to treat a wide range of thermal/ hydraulic/neutronic conditions and the presence of various flow regimes at different axial locations within the same hydrodynamic channel.« less

Enhancements to the TOUGH2 Simulator as Implemented in iTOUGH2

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

Finsterle, Stefan

iTOUGH2 is a program for parameter estimation, sensitivity analysis, and uncertainty propagation analysis. It is based on the TOUGH2 simulator for non-isothermal multiphase, multicomponent flow and transport in fractured and porous media [Pruess, 1987, 1991, 2005, 2011; Falta et al., 1995; Pruess et al., 1999, 2002, 2012; Doughty, 2013]. The core of iTOUGH2 contains slightly modified versions of TOUGH2 modules. Most code modifications are editorial and do not affect the simulation results. As a result, standard TOUGH2 input files can be used in iTOUGH2, and identical results are obtained if iTOUGH2 is run in forward mode. However, a number ofmore » modifications have been made as described in this report. They enhance the functionality, flexibilitu, and eas-of-use of the forward simulator. This report complements the reports iTOUGH2 User's Guide, iTOUGH2 Command Referecne, and the collection of tutorial examples in iTOUGH2 Sample Problems.« less

Evaluating the performance of parallel subsurface simulators: An illustrative example with PFLOTRAN

PubMed Central

Hammond, G E; Lichtner, P C; Mills, R T

2014-01-01

[1] To better inform the subsurface scientist on the expected performance of parallel simulators, this work investigates performance of the reactive multiphase flow and multicomponent biogeochemical transport code PFLOTRAN as it is applied to several realistic modeling scenarios run on the Jaguar supercomputer. After a brief introduction to the code's parallel layout and code design, PFLOTRAN's parallel performance (measured through strong and weak scalability analyses) is evaluated in the context of conceptual model layout, software and algorithmic design, and known hardware limitations. PFLOTRAN scales well (with regard to strong scaling) for three realistic problem scenarios: (1) in situ leaching of copper from a mineral ore deposit within a 5-spot flow regime, (2) transient flow and solute transport within a regional doublet, and (3) a real-world problem involving uranium surface complexation within a heterogeneous and extremely dynamic variably saturated flow field. Weak scalability is discussed in detail for the regional doublet problem, and several difficulties with its interpretation are noted. PMID:25506097

Evaluating the performance of parallel subsurface simulators: An illustrative example with PFLOTRAN.

PubMed

Hammond, G E; Lichtner, P C; Mills, R T

2014-01-01

[1] To better inform the subsurface scientist on the expected performance of parallel simulators, this work investigates performance of the reactive multiphase flow and multicomponent biogeochemical transport code PFLOTRAN as it is applied to several realistic modeling scenarios run on the Jaguar supercomputer. After a brief introduction to the code's parallel layout and code design, PFLOTRAN's parallel performance (measured through strong and weak scalability analyses) is evaluated in the context of conceptual model layout, software and algorithmic design, and known hardware limitations. PFLOTRAN scales well (with regard to strong scaling) for three realistic problem scenarios: (1) in situ leaching of copper from a mineral ore deposit within a 5-spot flow regime, (2) transient flow and solute transport within a regional doublet, and (3) a real-world problem involving uranium surface complexation within a heterogeneous and extremely dynamic variably saturated flow field. Weak scalability is discussed in detail for the regional doublet problem, and several difficulties with its interpretation are noted.

Mo/Si and Mo/Be multilayer thin films on Zerodur substrates for extreme-ultraviolet lithography

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

Mirkarimi, Paul B.; Bajt, Sasa; Wall, Mark A.

2000-04-01

Multilayer-coated Zerodur optics are expected to play a pivotal role in an extreme-ultraviolet (EUV) lithography tool. Zerodur is a multiphase, multicomponent material that is a much more complicated substrate than commonly used single-crystal Si or fused-silica substrates. We investigate the effect of Zerodur substrates on the performance of high-EUV reflectance Mo/Si and Mo/Be multilayer thin films. For Mo/Si the EUV reflectance had a nearly linear dependence on substrate roughness for roughness values of 0.06-0.36 nm rms, and the FWHM of the reflectance curves (spectral bandwidth) was essentially constant over this range. For Mo/Be the EUV reflectance was observed to decreasemore » more steeply than Mo/Si for roughness values greater than approximately 0.2-0.3 nm. Little difference was observed in the EUV reflectivity of multilayer thin films deposited on different substrates as long as the substrate roughness values were similar. (c) 2000 Optical Society of America.« less

Mo/Si and Mo/Be multilayer thin films on Zerodur substrates for extreme-ultraviolet lithography.

PubMed

Mirkarimi, P B; Bajt, S; Wall, M A

2000-04-01

Multilayer-coated Zerodur optics are expected to play a pivotal role in an extreme-ultraviolet (EUV) lithography tool. Zerodur is a multiphase, multicomponent material that is a much more complicated substrate than commonly used single-crystal Si or fused-silica substrates. We investigate the effect of Zerodur substrates on the performance of high-EUV reflectance Mo/Si and Mo/Be multilayer thin films. For Mo/Si the EUV reflectance had a nearly linear dependence on substrate roughness for roughness values of 0.06-0.36 nm rms, and the FWHM of the reflectance curves (spectral bandwidth) was essentially constant over this range. For Mo/Be the EUV reflectance was observed to decrease more steeply than Mo/Si for roughness values greater than approximately 0.2-0.3 nm. Little difference was observed in the EUV reflectivity of multilayer thin films deposited on different substrates as long as the substrate roughness values were similar.

Finite Element Methods and Multiphase Continuum Theory for Modeling 3D Air-Water-Sediment Interactions

NASA Astrophysics Data System (ADS)

Kees, C. E.; Miller, C. T.; Dimakopoulos, A.; Farthing, M.

2016-12-01

The last decade has seen an expansion in the development and application of 3D free surface flow models in the context of environmental simulation. These models are based primarily on the combination of effective algorithms, namely level set and volume-of-fluid methods, with high-performance, parallel computing. These models are still computationally expensive and suitable primarily when high-fidelity modeling near structures is required. While most research on algorithms and implementations has been conducted in the context of finite volume methods, recent work has extended a class of level set schemes to finite element methods on unstructured methods. This work considers models of three-phase flow in domains containing air, water, and granular phases. These multi-phase continuum mechanical formulations show great promise for applications such as analysis of coastal and riverine structures. This work will consider formulations proposed in the literature over the last decade as well as new formulations derived using the thermodynamically constrained averaging theory, an approach to deriving and closing macroscale continuum models for multi-phase and multi-component processes. The target applications require the ability to simulate wave breaking and structure over-topping, particularly fully three-dimensional, non-hydrostatic flows that drive these phenomena. A conservative level set scheme suitable for higher-order finite element methods is used to describe the air/water phase interaction. The interaction of these air/water flows with granular materials, such as sand and rubble, must also be modeled. The range of granular media dynamics targeted including flow and wave transmision through the solid media as well as erosion and deposition of granular media and moving bed dynamics. For the granular phase we consider volume- and time-averaged continuum mechanical formulations that are discretized with the finite element method and coupled to the underlying air/water flow via operator splitting (fractional step) schemes. Particular attention will be given to verification and validation of the numerical model and important qualitative features of the numerical methods including phase conservation, wave energy dissipation, and computational efficiency in regimes of interest.

Spatially resolved multicomponent gels

NASA Astrophysics Data System (ADS)

Draper, Emily R.; Eden, Edward G. B.; McDonald, Tom O.; Adams, Dave J.

2015-10-01

Multicomponent supramolecular systems could be used to prepare exciting new functional materials, but it is often challenging to control the assembly across multiple length scales. Here we report a simple approach to forming patterned, spatially resolved multicomponent supramolecular hydrogels. A multicomponent gel is first formed from two low-molecular-weight gelators and consists of two types of fibre, each formed by only one gelator. One type of fibre in this ‘self-sorted network’ is then removed selectively by a light-triggered gel-to-sol transition. We show that the remaining network has the same mechanical properties as it would have done if it initially formed alone. The selective irradiation of sections of the gel through a mask leads to the formation of patterned multicomponent networks, in which either one or two networks can be present at a particular position with a high degree of spatial control.

Protecting wood from mould, decay, and termites with multi-component biocide systems

Treesearch

Carol A. Clausen

2007-01-01

Biocides must be developed for controlling mould establishment on cellulose-based building materials. Accordingly, biocides intended for indoor applications must be non- toxic, non-volatile, odourless, hypoallergenic, and able to provide long-term protection under conditions of high humidity. Multi-component biocide systems were tested in American Wood-Preservers’...

Methods and Research for Multi-Component Cutting Force Sensing Devices and Approaches in Machining

PubMed Central

Liang, Qiaokang; Zhang, Dan; Wu, Wanneng; Zou, Kunlin

2016-01-01

Multi-component cutting force sensing systems in manufacturing processes applied to cutting tools are gradually becoming the most significant monitoring indicator. Their signals have been extensively applied to evaluate the machinability of workpiece materials, predict cutter breakage, estimate cutting tool wear, control machine tool chatter, determine stable machining parameters, and improve surface finish. Robust and effective sensing systems with capability of monitoring the cutting force in machine operations in real time are crucial for realizing the full potential of cutting capabilities of computer numerically controlled (CNC) tools. The main objective of this paper is to present a brief review of the existing achievements in the field of multi-component cutting force sensing systems in modern manufacturing. PMID:27854322

Methods and Research for Multi-Component Cutting Force Sensing Devices and Approaches in Machining.

PubMed

Liang, Qiaokang; Zhang, Dan; Wu, Wanneng; Zou, Kunlin

2016-11-16

Multi-component cutting force sensing systems in manufacturing processes applied to cutting tools are gradually becoming the most significant monitoring indicator. Their signals have been extensively applied to evaluate the machinability of workpiece materials, predict cutter breakage, estimate cutting tool wear, control machine tool chatter, determine stable machining parameters, and improve surface finish. Robust and effective sensing systems with capability of monitoring the cutting force in machine operations in real time are crucial for realizing the full potential of cutting capabilities of computer numerically controlled (CNC) tools. The main objective of this paper is to present a brief review of the existing achievements in the field of multi-component cutting force sensing systems in modern manufacturing.

Calculation of open and closed system elastic coefficients for multicomponent solids

NASA Astrophysics Data System (ADS)

Mishin, Y.

2015-06-01

Thermodynamic equilibrium in multicomponent solids subject to mechanical stresses is a complex nonlinear problem whose exact solution requires extensive computations. A few decades ago, Larché and Cahn proposed a linearized solution of the mechanochemical equilibrium problem by introducing the concept of open system elastic coefficients [Acta Metall. 21, 1051 (1973), 10.1016/0001-6160(73)90021-7]. Using the Ni-Al solid solution as a model system, we demonstrate that open system elastic coefficients can be readily computed by semigrand canonical Monte Carlo simulations in conjunction with the shape fluctuation approach. Such coefficients can be derived from a single simulation run, together with other thermodynamic properties needed for prediction of compositional fields in solid solutions containing defects. The proposed calculation approach enables streamlined solutions of mechanochemical equilibrium problems in complex alloys. Second order corrections to the linear theory are extended to multicomponent systems.

Research design issues for evaluating complex multicomponent interventions in neighborhoods and communities.

PubMed

Komro, Kelli A; Flay, Brian R; Biglan, Anthony; Wagenaar, Alexander C

2016-03-01

Major advances in population health will not occur unless we translate existing knowledge into effective multicomponent interventions, implement and maintain these in communities, and develop rigorous translational research and evaluation methods to ensure continual improvement and sustainability. We discuss challenges and offer approaches to evaluation that are key for translational research stages 3 to 5 to advance optimized adoption, implementation, and maintenance of effective and replicable multicomponent strategies. The major challenges we discuss concern (a) multiple contexts of evaluation/research, (b) complexity of packages of interventions, and (c) phases of evaluation/research questions. We suggest multiple alternative research designs that maintain rigor but accommodate these challenges and highlight the need for measurement systems. Longitudinal data collection and a standardized continuous measurement system are fundamental to the evaluation and refinement of complex multicomponent interventions. To be useful to T3-T5 translational research efforts in neighborhoods and communities, such a system would include assessments of the reach, implementation, effects on immediate outcomes, and effects of the comprehensive intervention package on more distal health outcomes.

Predicting new multicomponent materials for hydrogen storage using first-principles calculations

NASA Astrophysics Data System (ADS)

Aidhy, Dilpuneet; Wolverton, Chris

2010-03-01

Wide research has unraveled some very promising hydrogen storage materials such as metal borohydrides, amides and alanates. However, all of these materials are limited either thermodynamically or kinetically. The recent observation of mixing in these systems (e.g., borohydride-amide mixing in Li4(BH4)(NH2)3 [1] and metal mixing in NaZn2(BH4)3) [2] has demonstrated the possibility of forming new multicomponent ordered compounds that may have desirable hydrogen storage properties. However, these multicomponent systems are largely unexplored. Here, we use density functional theory (DFT) along with Monte Carlo-based crystal structure prediction methods to search for new multicomponent hydrides. We find evidence for stable compounds in the Mg(BH4)2/Mg(NH2)2 system, which have not yet been observed. In addition, we also study a wide range of mixed metal borohydride systems, and find evidence of ordered stable structures such as Li2Na(BH4)3. 1. F. E. Pinkerton, M. S. Meyer, G. P. Meisner and M. P. Balogh, J. Phys. Chem. B 110, 7967 (2006). 2. D. Ravnsbeak, Y. Filinchuk, Y. Cerenius, H. J. Jakobsen, F. Besenbacher, J. Skibsted and T. R. Jensen, Angew. Chem. 48, 6659 (2009).

Proper Orthogonal Decomposition on Experimental Multi-phase Flow in a Pipe

NASA Astrophysics Data System (ADS)

Viggiano, Bianca; Tutkun, Murat; Cal, Raúl Bayoán

2016-11-01

Multi-phase flow in a 10 cm diameter pipe is analyzed using proper orthogonal decomposition. The data were obtained using X-ray computed tomography in the Well Flow Loop at the Institute for Energy Technology in Kjeller, Norway. The system consists of two sources and two detectors; one camera records the vertical beams and one camera records the horizontal beams. The X-ray system allows measurement of phase holdup, cross-sectional phase distributions and gas-liquid interface characteristics within the pipe. The mathematical framework in the context of multi-phase flows is developed. Phase fractions of a two-phase (gas-liquid) flow are analyzed and a reduced order description of the flow is generated. Experimental data deepens the complexity of the analysis with limited known quantities for reconstruction. Comparison between the reconstructed fields and the full data set allows observation of the important features. The mathematical description obtained from the decomposition will deepen the understanding of multi-phase flow characteristics and is applicable to fluidized beds, hydroelectric power and nuclear processes to name a few.

Sustaining "the Genius of Soils"

NASA Astrophysics Data System (ADS)

Sposito, G.

2011-12-01

Soils are weathered porous earth surficial materials that exhibit an approximately vertical stratification reflecting the continual action of percolating water and living organisms. They are complex open, multicomponent, multiphase biogeochemical systems which function as both provisioning and regulatory agents in terrestrial ecosystems while influencing aquatic ecosystems through their impacts on evapotranspiration and runoff. The ability of soils to engage in their supportive ecosystem functions depends on what has been termed metaphorically as their "natural capital," the defining properties that condition soil response to biological, geological, and hydrological processes as well as human-driven activities. Natural capital must necessarily differ among soils depending on how they have developed under the five soil-forming processes, but it also can be determined by land use and by the flows of matter and energy that link the global atmosphere, biosphere, and hydrosphere. These latter two determinants have in recent decades begun to exhibit strong variability that exceeds what has been characteristic of them during the past 10 millennia of earth history, thereby raising the apocalyptic issue of whether a deleterious or even catastrophic undermining of the ability of soils to function supportively in ecosystems is in the offing. Resolving this issue will require deeper understanding of how soils perform their provisioning and regulatory functions, how they respond to land-use changes, and how they mediate the global flows of matter and energy.

Investigation of heat transfer in cereal-based foam from a micro-scale perspective using the lattice Boltzmann method

NASA Astrophysics Data System (ADS)

Mack, Simone; Hussein, Mohamed A.; Becker, Thomas

2011-12-01

Foam materials are multicomponent and multiphase systems, where under the influence of heat several temperature-dependent processes occur. In cereal-based foams these processes include protein denaturation, starch gelatinization, phase changes such as water evaporation, and structural changes covering bubble expansion and coalescence. This research focuses on modeling heat transfer processes in cereal foams under thermal treatment from a microstructural point of view. The complex thermo-fluidic processes inside the foam are considered for the solid and the gaseous phase, respectively. Additionally, the microstructural foam characteristics are modified to establish their effect on the overall heat transfer rate, and the micro-scale dynamics are introduced by means of lattice Boltzmann methods (LBM). The objective of this study is to deliver sophisticated insight into the impact of structural properties, due to the fact that optimized parameters would help to improve the bakery industry by means of reduction in baking time, energy, and costs. The results show that altering the porosity and/or the interconnectivity of gas pores in bread crumb influences the overall heat transfer. In comparison to foams having a porosity of 55% and discrete pores, the impact of coalescence exhibits a reduction of baking time of about 2 min. Increasing the porosity about 20% results in reducing the baking time about 7 min.

Multicomponent density functional theory embedding formulation.

PubMed

Culpitt, Tanner; Brorsen, Kurt R; Pak, Michael V; Hammes-Schiffer, Sharon

2016-07-28

Multicomponent density functional theory (DFT) methods have been developed to treat two types of particles, such as electrons and nuclei, quantum mechanically at the same level. In the nuclear-electronic orbital (NEO) approach, all electrons and select nuclei, typically key protons, are treated quantum mechanically. For multicomponent DFT methods developed within the NEO framework, electron-proton correlation functionals based on explicitly correlated wavefunctions have been designed and used in conjunction with well-established electronic exchange-correlation functionals. Herein a general theory for multicomponent embedded DFT is developed to enable the accurate treatment of larger systems. In the general theory, the total electronic density is separated into two subsystem densities, denoted as regular and special, and different electron-proton correlation functionals are used for these two electronic densities. In the specific implementation, the special electron density is defined in terms of spatially localized Kohn-Sham electronic orbitals, and electron-proton correlation is included only for the special electron density. The electron-proton correlation functional depends on only the special electron density and the proton density, whereas the electronic exchange-correlation functional depends on the total electronic density. This scheme includes the essential electron-proton correlation, which is a relatively local effect, as well as the electronic exchange-correlation for the entire system. This multicomponent DFT-in-DFT embedding theory is applied to the HCN and FHF(-) molecules in conjunction with two different electron-proton correlation functionals and three different electronic exchange-correlation functionals. The results illustrate that this approach provides qualitatively accurate nuclear densities in a computationally tractable manner. The general theory is also easily extended to other types of partitioning schemes for multicomponent systems.

Multicomponent density functional theory embedding formulation

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

Culpitt, Tanner; Brorsen, Kurt R.; Pak, Michael V.

Multicomponent density functional theory (DFT) methods have been developed to treat two types of particles, such as electrons and nuclei, quantum mechanically at the same level. In the nuclear-electronic orbital (NEO) approach, all electrons and select nuclei, typically key protons, are treated quantum mechanically. For multicomponent DFT methods developed within the NEO framework, electron-proton correlation functionals based on explicitly correlated wavefunctions have been designed and used in conjunction with well-established electronic exchange-correlation functionals. Herein a general theory for multicomponent embedded DFT is developed to enable the accurate treatment of larger systems. In the general theory, the total electronic density ismore » separated into two subsystem densities, denoted as regular and special, and different electron-proton correlation functionals are used for these two electronic densities. In the specific implementation, the special electron density is defined in terms of spatially localized Kohn-Sham electronic orbitals, and electron-proton correlation is included only for the special electron density. The electron-proton correlation functional depends on only the special electron density and the proton density, whereas the electronic exchange-correlation functional depends on the total electronic density. This scheme includes the essential electron-proton correlation, which is a relatively local effect, as well as the electronic exchange-correlation for the entire system. This multicomponent DFT-in-DFT embedding theory is applied to the HCN and FHF{sup −} molecules in conjunction with two different electron-proton correlation functionals and three different electronic exchange-correlation functionals. The results illustrate that this approach provides qualitatively accurate nuclear densities in a computationally tractable manner. The general theory is also easily extended to other types of partitioning schemes for multicomponent systems.« less

Computational study of the shock driven instability of a multiphase particle-gas system

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

None, None

This paper considers the interaction of a shock wave with a multiphase particle-gas system which creates an instability somewhat similar to the Richtmyer-Meshkov instability but with a larger parameter space. Because this parameter space is large, we only present an introductory survey of the effects of many of these parameters. We highlight the effects of particle-gas coupling, incident shock strength, particle size, effective system density differences, and multiple particle relaxation time effects. We focus on dilute flows with mass loading up to 40% and do not attempt to cover all parametric combinations. Instead, we vary one parameter at a timemore » leaving additional parametric combinations for future work. The simulations are run with the Ares code, developed at Lawrence Livermore National Laboratory, which uses a multiphase particulate transport method to model two-way momentum and energy coupling. A brief validation of these models is presented and coupling effects are explored. It is shown that even for small particles, on the order of 1μm, multi-phase coupling effects are important and diminish the circulation deposition on the interface by up to 25%. These coupling effects are shown to create large temperature deviations from the dusty gas approximation, up to 20% greater, especially at higher shock strengths. It is also found that for a multiphase instability, the vortex sheet deposited at the interface separates into two sheets. In conclusion, depending on the particle and particle-gas Atwood numbers, the instability may be suppressed or enhanced by the interactions of these two vortex sheets.« less

Computational study of the shock driven instability of a multiphase particle-gas system

DOE PAGES

None, None

2016-02-01

This paper considers the interaction of a shock wave with a multiphase particle-gas system which creates an instability somewhat similar to the Richtmyer-Meshkov instability but with a larger parameter space. Because this parameter space is large, we only present an introductory survey of the effects of many of these parameters. We highlight the effects of particle-gas coupling, incident shock strength, particle size, effective system density differences, and multiple particle relaxation time effects. We focus on dilute flows with mass loading up to 40% and do not attempt to cover all parametric combinations. Instead, we vary one parameter at a timemore » leaving additional parametric combinations for future work. The simulations are run with the Ares code, developed at Lawrence Livermore National Laboratory, which uses a multiphase particulate transport method to model two-way momentum and energy coupling. A brief validation of these models is presented and coupling effects are explored. It is shown that even for small particles, on the order of 1μm, multi-phase coupling effects are important and diminish the circulation deposition on the interface by up to 25%. These coupling effects are shown to create large temperature deviations from the dusty gas approximation, up to 20% greater, especially at higher shock strengths. It is also found that for a multiphase instability, the vortex sheet deposited at the interface separates into two sheets. In conclusion, depending on the particle and particle-gas Atwood numbers, the instability may be suppressed or enhanced by the interactions of these two vortex sheets.« less

Computational study of the shock driven instability of a multiphase particle-gas system

NASA Astrophysics Data System (ADS)

McFarland, Jacob A.; Black, Wolfgang J.; Dahal, Jeevan; Morgan, Brandon E.

2016-02-01

This paper considers the interaction of a shock wave with a multiphase particle-gas system which creates an instability similar in some ways to the Richtmyer-Meshkov instability but with a larger parameter space. As this parameter space is large, we only present an introductory survey of the effects of many of these parameters. We highlight the effects of particle-gas coupling, incident shock strength, particle size, effective system density differences, and multiple particle relaxation time effects. We focus on dilute flows with mass loading up to 40% and do not attempt to cover all parametric combinations. Instead, we vary one parameter at a time leaving additional parametric combinations for future work. The simulations are run with the Ares code, developed at Lawrence Livermore National Laboratory, which uses a multiphase particulate transport method to model two-way momentum and energy coupling. A brief validation of these models is presented and coupling effects are explored. It is shown that even for small particles, on the order of 1 μm, multi-phase coupling effects are important and diminish the circulation deposition on the interface by up to 25%. These coupling effects are shown to create large temperature deviations from the dusty gas approximation, up to 20% greater, especially at higher shock strengths. It is also found that for a multiphase instability, the vortex sheet deposited at the interface separates into two sheets. Depending on the particle and particle-gas Atwood numbers, the instability may be suppressed or enhanced by the interactions of these two vortex sheets.

Ring-Like Enhancement of Hepatocellular Carcinoma in Gadoxetic Acid-Enhanced Multiphasic Hepatic Arterial Phase Imaging With Differential Subsampling With Cartesian Ordering.

PubMed

Ichikawa, Shintaro; Motosugi, Utaroh; Oishi, Naoki; Shimizu, Tatsuya; Wakayama, Tetsuya; Enomoto, Nobuyuki; Matsuda, Masanori; Onishi, Hiroshi

2018-04-01

The aim of this study was to evaluate the efficacy of multiphasic hepatic arterial phase (HAP) imaging using DISCO (differential subsampling with Cartesian ordering) in increasing the confidence of diagnosis of hepatocellular carcinoma (HCC). This retrospective study was approved by the institutional review board, and the requirement for informed patient consent was waived. Consecutive patients (from 2 study periods) with malignant liver nodules were examined by gadoxetic acid-enhanced magnetic resonance imaging using either multiphasic (6 phases; n = 135) or single (n = 230) HAP imaging, which revealed 519 liver nodules other than benign ones (HCC, 497; cholangiocarcinoma, 11; metastases, 10; and malignant lymphoma, 1). All nodules were scored in accordance with the Liver Imaging Reporting and Data System (LI-RADS v2014), with or without consideration of ring-like enhancement in multiphasic HAP images as a major feature. In the multiphasic HAP group, 178 of 191 HCCs were scored as LR-3 to LR-5 (3 [1.69%], 85 [47.8%], and 90 [50.6%], respectively). Upon considering ring-like enhancement in multiphasic HAP images as a major feature, 5 more HCCs were scored as LR-5 (95 [53.4%]), which was a significantly more confident diagnosis than that with single HAP images (295 of 306 HCCs scored as LR-3 to LR-5: 13 [4.41%], 147 [49.8%], and 135 [45.8%], respectively; P = 0.0296). There was no significant difference in false-positive or false-negative diagnoses between the multiphasic and single HAP groups (P = 0.8400 and 0.1043, respectively). Multiphasic HAP imaging can improve the confidence of diagnosis of HCCs in gadoxetic acid-enhanced magnetic resonance imaging.

Multiphase modelling of mud volcanoes

NASA Astrophysics Data System (ADS)

Colucci, Simone; de'Michieli Vitturi, Mattia; Clarke, Amanda B.

2015-04-01

Mud volcanism is a worldwide phenomenon, classically considered as the surface expression of piercement structures rooted in deep-seated over-pressured sediments in compressional tectonic settings. The release of fluids at mud volcanoes during repeated explosive episodes has been documented at numerous sites and the outflows resemble the eruption of basaltic magma. As magma, the material erupted from a mud volcano becomes more fluid and degasses while rising and decompressing. The release of those gases from mud volcanism is estimated to be a significant contributor both to fluid flux from the lithosphere to the hydrosphere, and to the atmospheric budget of some greenhouse gases, particularly methane. For these reasons, we simulated the fluid dynamics of mud volcanoes using a newly-developed compressible multiphase and multidimensional transient solver in the OpenFOAM framework, taking into account the multicomponent nature (CH4, CO2, H2O) of the fluid mixture, the gas exsolution during the ascent and the associated changes in the constitutive properties of the phases. The numerical model has been tested with conditions representative of the LUSI, a mud volcano that has been erupting since May 2006 in the densely populated Sidoarjo regency (East Java, Indonesia), forcing the evacuation of 40,000 people and destroying industry, farmland, and over 10,000 homes. The activity of LUSI mud volcano has been well documented (Vanderkluysen et al., 2014) and here we present a comparison of observed gas fluxes and mud extrusion rates with the outcomes of numerical simulations. Vanderkluysen, L.; Burton, M. R.; Clarke, A. B.; Hartnett, H. E. & Smekens, J.-F. Composition and flux of explosive gas release at LUSI mud volcano (East Java, Indonesia) Geochem. Geophys. Geosyst., Wiley-Blackwell, 2014, 15, 2932-2946

An Advanced Reservoir Simulator for Tracer Transport in Multicomponent Multiphase Compositional Flow and Applications to the Cranfield CO2 Sequestration Site

NASA Astrophysics Data System (ADS)

Moortgat, J.

2015-12-01

Reservoir simulators are widely used to constrain uncertainty in the petrophysical properties of subsurface formations by matching the history of injection and production data. However, such measurements may be insufficient to uniquely characterize a reservoir's properties. Monitoring of natural (isotopic) and introduced tracers is a developing technology to further interrogate the subsurface for applications such as enhanced oil recovery from conventional and unconventional resources, and CO2 sequestration. Oak Ridge National Laboratory has been piloting this tracer technology during and following CO2 injection at the Cranfield, Mississippi, CO2 sequestration test site. Two campaigns of multiple perfluorocarbon tracers were injected together with CO2 and monitored at two wells at 68 m and 112 m from the injection site. The tracer data suggest that multiple CO2 flow paths developed towards the monitoring wells, indicative of either channeling through high permeability pathways or of fingering. The results demonstrate that tracers provide an important complement to transient pressure data. Numerical modeling is essential to further explain and interpret the observations. To aid the development of tracer technology, we enhanced a compositional multiphase reservoir simulator to account for tracer transport. Our research simulator uses higher-order finite element (FE) methods that can capture the small-scale onset of fingering on the coarse grids required for field-scale modeling, and allows for unstructured grids and anisotropic heterogeneous permeability fields. Mass transfer between fluid phases and phase behavior are modeled with rigorous equation-of-state based phase-split calculations. We present our tracer simulator and preliminary results related to the Cranfield experiments. Applications to noble gas tracers in unconventional resources are presented by Darrah et al.

Phase-Field Modeling of Sigma-Phase Precipitation in 25Cr7Ni4Mo Duplex Stainless Steel

NASA Astrophysics Data System (ADS)

Malik, Amer; Odqvist, Joakim; Höglund, Lars; Hertzman, Staffan; Ågren, John

2017-10-01

Phase-field modeling is used to simulate the formation of sigma phase in a model alloy mimicking a commercial super duplex stainless steel (SDSS) alloy, in order to study precipitation and growth of sigma phase under linear continuous cooling. The so-called Warren-Boettinger-McFadden (WBM) model is used to build the basis of the multiphase and multicomponent phase-field model. The thermodynamic inconsistency at the multiple junctions associated with the multiphase formulation of the WBM model is resolved by means of a numerical Cut-off algorithm. To make realistic simulations, all the kinetic and the thermodynamic quantities are derived from the CALPHAD databases at each numerical time step, using Thermo-Calc and TQ-Interface. The credibility of the phase-field model is verified by comparing the results from the phase-field simulations with the corresponding DICTRA simulations and also with the empirical data. 2D phase-field simulations are performed for three different cooling rates in two different initial microstructures. A simple model for the nucleation of sigma phase is also implemented in the first case. Simulation results show that the precipitation of sigma phase is characterized by the accumulation of Cr and Mo at the austenite-ferrite and the ferrite-ferrite boundaries. Moreover, it is observed that a slow cooling rate promotes the growth of sigma phase, while a higher cooling rate restricts it, eventually preserving the duplex structure in the SDSS alloy. Results from the phase-field simulations are also compared quantitatively with the experiments, performed on a commercial 2507 SDSS alloy. It is found that overall, the predicted morphological features of the transformation and the composition profiles show good conformity with the empirical data.

Mixing and reactions in multiphase flow through porous media

NASA Astrophysics Data System (ADS)

Jimenez-Martinez, J.; Le Borgne, T.; Meheust, Y.; Porter, M. L.; De Anna, P.; Hyman, J.; Tabuteau, H.; Turuban, R.; Carey, J. W.; Viswanathan, H. S.

2016-12-01

The understanding and quantification of flow and transport processes in multiphase systems remains a grand scientific and engineering challenge in natural and industrial systems (e.g., soils and vadose zone, CO2 sequestration, unconventional oil and gas extraction, enhanced oil recovery). Beyond the kinetic of the chemical reactions, mixing processes in porous media play a key role in controlling both fluid-fluid and fluid-solid reactions. However, conventional continuum-scale models and theories oversimplify and/or ignore many important pore-scale processes. Multiphase flows, with the creation of highly heterogeneous fluid velocity fields (i.e., low velocities regions or stagnation zones, and high velocity regions or preferential paths), makes conservative and reactive transport more complex. We present recent multi-scale experimental developments and theoretical approaches to quantify transport, mixing, and reaction and their coupling with multiphase flows. We discuss our main findings: i) the sustained concentration gradients and enhanced reactivity in a two-phase system for a continuous injection, and the comparison with a pulse line injection; ii) the enhanced mixing by a third mobile-immiscible phase; and iii) the role that capillary forces play in the localization of the fluid-solid reactions. These experimental results are for highly-idealized geometries, however, the proposed models are related to basic porous media and unsaturated flow properties, and could be tested on more complex systems.

Multiphase flow and phase change in microgravity: Fundamental research and strategic research for exploration of space

NASA Technical Reports Server (NTRS)

Singh, Bhim S.

2003-01-01

NASA is preparing to undertake science-driven exploration missions. The NASA Exploration Team's vision is a cascade of stepping stones. The stepping-stone will build the technical capabilities needed for each step with multi-use technologies and capabilities. An Agency-wide technology investment and development program is necessary to implement the vision. The NASA Exploration Team has identified a number of areas where significant advances are needed to overcome all engineering and medical barriers to the expansion of human space exploration beyond low-Earth orbit. Closed-loop life support systems and advanced propulsion and power technologies are among the areas requiring significant advances from the current state-of-the-art. Studies conducted by the National Academy of Science's National Research Council and Workshops organized by NASA have shown that multiphase flow and phase change play a crucial role in many of these advanced technology concepts. Lack of understanding of multiphase flow, phase change, and interfacial phenomena in the microgravity environment has been a major hurdle. An understanding of multiphase flow and phase change in microgravity is, therefore, critical to advancing many technologies needed. Recognizing this, the Office of Biological and Physical Research (OBPR) has initiated a strategic research thrust to augment the ongoing fundamental research in fluid physics and transport phenomena discipline with research especially aimed at understanding key multiphase flow related issues in propulsion, power, thermal control, and closed-loop advanced life support systems. A plan for integrated theoretical and experimental research that has the highest probability of providing data, predictive tools, and models needed by the systems developers to incorporate highly promising multiphase-based technologies is currently in preparation. This plan is being developed with inputs from scientific community, NASA mission planners and industry personnel. The fundamental research in multiphase flow and phase change in microgravity is aimed at developing better mechanistic understanding of pool boiling and ascertaining the effects of gravity on heat transfer and the critical heat flux. Space flight experiments conducted in space have shown that nucleate pool boiling can be sustained under certain conditions in the microgravity environment. New space flight experiments are being developed to provide more quantitative information on pool boiling in microgravity. Ground-based investigations are also being conducted to develop mechanistic models for flow and pool boiling. An overview of the research plan and roadmap for the strategic research in multiphase flow and phase change as well as research findings from the ongoing program will be presented.

Multiphase fluid characterization system

DOEpatents

Sinha, Dipen N.

2014-09-02

A measurement system and method for permitting multiple independent measurements of several physical parameters of multiphase fluids flowing through pipes are described. Multiple acoustic transducers are placed in acoustic communication with or attached to the outside surface of a section of existing spool (metal pipe), typically less than 3 feet in length, for noninvasive measurements. Sound speed, sound attenuation, fluid density, fluid flow, container wall resonance characteristics, and Doppler measurements for gas volume fraction may be measured simultaneously by the system. Temperature measurements are made using a temperature sensor for oil-cut correction.

Tracking interface and common curve dynamics for two-fluid flow in porous media

DOE PAGES

Mcclure, James E.; Miller, Cass T.; Gray, W. G.; ...

2016-04-29

Pore-scale studies of multiphase flow in porous medium systems can be used to understand transport mechanisms and quantitatively determine closure relations that better incorporate microscale physics into macroscale models. Multiphase flow simulators constructed using the lattice Boltzmann method provide a means to conduct such studies, including both the equilibrium and dynamic aspects. Moving, storing, and analyzing the large state space presents a computational challenge when highly-resolved models are applied. We present an approach to simulate multiphase flow processes in which in-situ analysis is applied to track multiphase flow dynamics at high temporal resolution. We compute a comprehensive set of measuresmore » of the phase distributions and the system dynamics, which can be used to aid fundamental understanding and inform closure relations for macroscale models. The measures computed include microscale point representations and macroscale averages of fluid saturations, the pressure and velocity of the fluid phases, interfacial areas, interfacial curvatures, interface and common curve velocities, interfacial orientation tensors, phase velocities and the contact angle between the fluid-fluid interface and the solid surface. Test cases are studied to validate the approach and illustrate how measures of system state can be obtained and used to inform macroscopic theory.« less

Antiferromagnetic-ferromagnetic crossover in UO 2-TiO x multi-phase systems

NASA Astrophysics Data System (ADS)

Nakamura, Akio; Tsutsui, Satoshi; Yoshii, Kenji

2001-05-01

An antiferromagnetic (AF)-weakly ferromagnetic (WF) crossover has been found for UO 2-TiO x multi-phase systems, (1- y)UO 2+ yTiO x ( y=0.05-0.72, x=0, 1.0, 1.5 and 2.0), when these mixtures are heat treated at high temperature in vacuum. From the powder X-ray diffraction and electron-microprobe analyses, their phase assemblies were as follows: for x=0, 1.0 and 1.5, a heterogeneous two-phase mixture of UO 2+TiO x; for x=2.0, that of UO 2+UTi 2O 6 for y<0.67, showing characteristic microstructures, and for y>0.67 that of UTi 2O 6+TiO 2 (plus residual minor UO 2). Magnetic susceptibility ( χ) of the present UO 2 powder was confirmed to exhibit an antiferromagnetic sharp drop at TN (=30.5 K). In contrast, χ of these multi-phase systems was found to exhibit a sharp upturn at the respective TN, while their TN values remained almost constant with varying y. This χ upturn at TN is most pronounced for UO 2+Ti-oxide (titania) systems ( x=1.0, 1.5 and 2.0) over the wide mixture ratio above y˜0.10. These observations indicate that an AF-WF crossover is induced for these multi-phase systems, plausibly due to the interfacial magnetic modification of UO 2 in contact with the oxide partners.

Defect Clustering and Nano-Phase Structure Characterization of Multi-Component Rare Earth Oxide Doped Zirconia-Yttria Thermal Barrier Coatings

NASA Technical Reports Server (NTRS)

Zhu, Dongming; Chen, Yuan L.; Miller, Robert A.

2003-01-01

Advanced oxide thermal barrier coatings have been developed by incorporating multi-component rare earth oxide dopants into zirconia-yttria to effectively promote the creation of the thermodynamically stable, immobile oxide defect clusters and/or nano-scale phases within the coating systems. The presence of these nano-sized defect clusters has found to significantly reduce the coating intrinsic thermal conductivity, improve sintering resistance, and maintain long-term high temperature stability. In this paper, the defect clusters and nano-structured phases, which were created by the addition of multi-component rare earth dopants to the plasma-sprayed and electron-beam physical vapor deposited thermal barrier coatings, were characterized by high-resolution transmission electron microscopy (TEM). The defect cluster size, distribution, crystallographic and compositional information were investigated using high-resolution TEM lattice imaging, selected area diffraction (SAD), electron energy-loss spectroscopy (EELS) and energy dispersive spectroscopy (EDS) analysis techniques. The results showed that substantial defect clusters were formed in the advanced multi-component rare earth oxide doped zirconia- yttria systems. The size of the oxide defect clusters and the cluster dopant segregation was typically ranging from 5 to 50 nm. These multi-component dopant induced defect clusters are an important factor for the coating long-term high temperature stability and excellent performance.

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

Aeloiza, Eddy C.; Burgos, Rolando P.

A step-down AC/AC converter for use in an electric distribution system includes at least one chopper circuit for each one of a plurality of phases of the AC power, each chopper circuit including a four-quadrant switch coupled in series between primary and secondary sides of the chopper circuit and a current-bidirectional two-quadrant switch coupled between the secondary side of the chopper circuit and a common node. Each current-bidirectional two-quadrant switch is oriented in the same direction, with respect to the secondary side of the corresponding chopper circuit and the common node. The converter further includes a control circuit configured tomore » pulse-width-modulate control inputs of the switches, to convert a first multiphase AC voltage at the primary sides of the chopper circuits to a second multiphase AC voltage at the secondary sides of the chopper circuits, the second multiphase AC voltage being lower in voltage than the first multiphase AC voltage.« less

Unraveling the Geometry Dependence of In-Nozzle Cavitation in High-Pressure Injectors

PubMed Central

Im, Kyoung-Su; Cheong, Seong-Kyun; Powell, Christopher F.; Lai, Ming-chia D.; Wang, Jin

2013-01-01

Cavitation is an intricate multiphase phenomenon that interplays with turbulence in fluid flows. It exhibits clear duality in characteristics, being both destructive and beneficial in our daily lives and industrial processes. Despite the multitude of occurrences of this phenomenon, highly dynamic and multiphase cavitating flows have not been fundamentally well understood in guiding the effort to harness the transient and localized power generated by this process. In a microscale, multiphase flow liquid injection system, we synergistically combined experiments using time-resolved x-radiography and a novel simulation method to reveal the relationship between the injector geometry and the in-nozzle cavitation quantitatively. We demonstrate that a slight alteration of the geometry on the micrometer scale can induce distinct laminar-like or cavitating flows, validating the multiphase computational fluid dynamics simulation. Furthermore, the simulation identifies a critical geometric parameter with which the high-speed flow undergoes an intriguing transition from non-cavitating to cavitating. PMID:23797665

A continuum theory for multicomponent chromatography modeling.

PubMed

Pfister, David; Morbidelli, Massimo; Nicoud, Roger-Marc

2016-05-13

A continuum theory is proposed for modeling multicomponent chromatographic systems under linear conditions. The model is based on the description of complex mixtures, possibly involving tens or hundreds of solutes, by a continuum. The present approach is shown to be very efficient when dealing with a large number of similar components presenting close elution behaviors and whose individual analytical characterization is impossible. Moreover, approximating complex mixtures by continuous distributions of solutes reduces the required number of model parameters to the few ones specific to the characterization of the selected continuous distributions. Therefore, in the frame of the continuum theory, the simulation of large multicomponent systems gets simplified and the computational effectiveness of the chromatographic model is thus dramatically improved. Copyright © 2016 Elsevier B.V. All rights reserved.

[Impacts of multicomponent environment on solubility of puerarin in biopharmaceutics classification system of Chinese materia medica].

PubMed

Hou, Cheng-Bo; Wang, Guo-Peng; Zhang, Qiang; Yang, Wen-Ning; Lv, Bei-Ran; Wei, Li; Dong, Ling

2014-12-01

To illustrate the solubility involved in biopharmaceutics classification system of Chinese materia medica (CMMBCS) , the influences of artificial multicomponent environment on solubility were investigated in this study. Mathematical model was built to describe the variation trend of their influence on the solubility of puerarin. Carried out with progressive levels, single component environment: baicalin, berberine and glycyrrhizic acid; double-component environment: baicalin and glycyrrhizic acid, baicalin and berberine and glycyrrhizic acid and berberine; and treble-component environment: baicalin, berberin, glycyrrhizic acid were used to describe the variation tendency of their influences on the solubility of puerarin, respectively. And then, the mathematical regression equation model was established to characterize the solubility of puerarin under multicomponent environment.

Emergence of life from multicomponent mixtures of chemicals: the case for experiments with cycling physicochemical gradients.

PubMed

Spitzer, Jan

2013-04-01

The emergence of life from planetary multicomponent mixtures of chemicals is arguably the most complicated and least understood natural phenomenon. The fact that living cells are non-equilibrium systems suggests that life can emerge only from non-equilibrium chemical systems. From an astrobiological standpoint, non-equilibrium chemical systems arise naturally when solar irradiation strikes rotating surfaces of habitable planets: the resulting cycling physicochemical gradients persistently drive planetary chemistries toward "embryonic" living systems and an eventual emergence of life. To better understand the factors that lead to the emergence of life, I argue for cycling non-equilibrium experiments with multicomponent chemical systems designed to represent the evolving chemistry of Hadean Earth ("prebiotic soups"). Specifically, I suggest experimentation with chemical engineering simulators of Hadean Earth to observe and analyze (i) the appearances and phase separations of surface active and polymeric materials as precursors of the first "cell envelopes" (membranes) and (ii) the accumulations, commingling, and co-reactivity of chemicals from atmospheric, oceanic, and terrestrial locations.

Theory and Simulation of Multicomponent Osmotic Systems

PubMed Central

Karunaweera, Sadish; Gee, Moon Bae; Weerasinghe, Samantha; Smith, Paul E.

2012-01-01

Most cellular processes occur in systems containing a variety of components many of which are open to material exchange. However, computer simulations of biological systems are almost exclusively performed in systems closed to material exchange. In principle, the behavior of biomolecules in open and closed systems will be different. Here, we provide a rigorous framework for the analysis of experimental and simulation data concerning open and closed multicomponent systems using the Kirkwood-Buff (KB) theory of solutions. The results are illustrated using computer simulations for various concentrations of the solutes Gly, Gly2 and Gly3 in both open and closed systems, and in the absence or presence of NaCl as a cosolvent. In addition, KB theory is used to help rationalize the aggregation properties of the solutes. Here one observes that the picture of solute association described by the KB integrals, which are directly related to the solution thermodynamics, and that provided by more physical clustering approaches are different. It is argued that the combination of KB theory and simulation data provides a simple and powerful tool for the analysis of complex multicomponent open and closed systems. PMID:23329894

Numerical investigation of a modified family of centered schemes applied to multiphase equations with nonconservative sources

NASA Astrophysics Data System (ADS)

Crochet, M. W.; Gonthier, K. A.

2013-12-01

Systems of hyperbolic partial differential equations are frequently used to model the flow of multiphase mixtures. These equations often contain sources, referred to as nozzling terms, that cannot be posed in divergence form, and have proven to be particularly challenging in the development of finite-volume methods. Upwind schemes have recently shown promise in properly resolving the steady wave solution of the associated multiphase Riemann problem. However, these methods require a full characteristic decomposition of the system eigenstructure, which may be either unavailable or computationally expensive. Central schemes, such as the Kurganov-Tadmor (KT) family of methods, require minimal characteristic information, which makes them easily applicable to systems with an arbitrary number of phases. However, the proper implementation of nozzling terms in these schemes has been mathematically ambiguous. The primary objectives of this work are twofold: first, an extension of the KT family of schemes is proposed that formally accounts for the nonconservative nozzling sources. This modification results in a semidiscrete form that retains the simplicity of its predecessor and introduces little additional computational expense. Second, this modified method is applied to multiple, but equivalent, forms of the multiphase equations to perform a numerical study by solving several one-dimensional test problems. Both ideal and Mie-Grüneisen equations of state are used, with the results compared to an analytical solution. This study demonstrates that the magnitudes of the resulting numerical errors are sensitive to the form of the equations considered, and suggests an optimal form to minimize these errors. Finally, a separate modification of the wave propagation speeds used in the KT family is also suggested that can reduce the extent of numerical diffusion in multiphase flows.

Programmed Multiphasic Health Testing

NASA Technical Reports Server (NTRS)

Hershberg, P. I.

1970-01-01

Multiphase health screening procedures are advocated for detection and prevention of disease at an early stage through risk factor analysis. The use of an automated medical history questionnaire together with scheduled physical examination data provides a scanning input for computer printout. This system makes it possible to process laboratory results from 1,000 to 2,000 patients for biochemical determinations on an economically feasible base.

Multi-Phase Modeling of Rainbird Water Injection

NASA Technical Reports Server (NTRS)

Vu, Bruce T.; Moss, Nicholas; Sampson, Zoe

2014-01-01

This paper describes the use of a Volume of Fluid (VOF) multiphase model to simulate the water injected from a rainbird nozzle used in the sound suppression system during launch. The simulations help determine the projectile motion for different water flow rates employed at the pad, as it is critical to know if water will splash on the first-stage rocket engine during liftoff.

Modeling Hydrothermal Activity on Enceladus

NASA Astrophysics Data System (ADS)

Stamper, T., Jr.; Farough, A.

2017-12-01

Cassini's mass spectrometer data and gravitational field measurements imply water-rock interactions around the porous core of Enceladus. Using such data we characterize global heat and fluid transport properties of the core and model the ongoing hydrothermal activity on Enceladus. We assume that within the global ocean beneath the surface ice, seawater percolates downward into the core where it is heated and rises to the oceanfloor where it emanates in the form of diffuse discharge. We utilize the data from Hsu et al., [2015] with models of diffuse flow in seafloor hydrothermal systems by Lowell et al., [2015] to characterize the global heat transport properties of the Enceladus's core. Based on direct observations the gravitational acceleration (g) is calculated 0.123 m s-2. We assume fluid's density (ρ) is 10­3 kg m-3 and the specific heat of the fluid (cf) is 4000 Jkg-1 °C-1. From these values effective thermal diffusivity (a*) is calculated as 10­-6 m2 s-1. We also assume the coefficient of thermal expansion of fluid (αf) and the kinematic viscosity of fluid (ν) to be 10-4 °C-1 and 10­-6 m2 s-1 respectively. The estimated Rayleigh number (Ra) ranges between 0.11-2468.0, for core porosity (φ) of 5-15%, permeability (k) between 10-12-10-8 m2 and temperature between 90-200 °C and the depth of fluid circulation of 100 m. High values of Rayleigh number, cause vigorous convection within the core of Enceladus. Numerical modeling of reactive transport in multicomponent, multiphase systems is required to obtain a full understanding of the characteristics and evolution of the hydrothermal system on Enceladus, but simple scaling laws can provide insight into the physics of water-rock interactions.

PHAST Version 2-A Program for Simulating Groundwater Flow, Solute Transport, and Multicomponent Geochemical Reactions

USGS Publications Warehouse

Parkhurst, David L.; Kipp, Kenneth L.; Charlton, Scott R.

2010-01-01

The computer program PHAST (PHREEQC And HST3D) simulates multicomponent, reactive solute transport in three-dimensional saturated groundwater flow systems. PHAST is a versatile groundwater flow and solute-transport simulator with capabilities to model a wide range of equilibrium and kinetic geochemical reactions. The flow and transport calculations are based on a modified version of HST3D that is restricted to constant fluid density and constant temperature. The geochemical reactions are simulated with the geochemical model PHREEQC, which is embedded in PHAST. Major enhancements in PHAST Version 2 allow spatial data to be defined in a combination of map and grid coordinate systems, independent of a specific model grid (without node-by-node input). At run time, aquifer properties are interpolated from the spatial data to the model grid; regridding requires only redefinition of the grid without modification of the spatial data. PHAST is applicable to the study of natural and contaminated groundwater systems at a variety of scales ranging from laboratory experiments to local and regional field scales. PHAST can be used in studies of migration of nutrients, inorganic and organic contaminants, and radionuclides; in projects such as aquifer storage and recovery or engineered remediation; and in investigations of the natural rock/water interactions in aquifers. PHAST is not appropriate for unsaturated-zone flow, multiphase flow, or density-dependent flow. A variety of boundary conditions are available in PHAST to simulate flow and transport, including specified-head, flux (specified-flux), and leaky (head-dependent) conditions, as well as the special cases of rivers, drains, and wells. Chemical reactions in PHAST include (1) homogeneous equilibria using an ion-association or Pitzer specific interaction thermodynamic model; (2) heterogeneous equilibria between the aqueous solution and minerals, ion exchange sites, surface complexation sites, solid solutions, and gases; and (3) kinetic reactions with rates that are a function of solution composition. The aqueous model (elements, chemical reactions, and equilibrium constants), minerals, exchangers, surfaces, gases, kinetic reactants, and rate expressions may be defined or modified by the user. A number of options are available to save results of simulations to output files. The data may be saved in three formats: a format suitable for viewing with a text editor; a format suitable for exporting to spreadsheets and postprocessing programs; and in Hierarchical Data Format (HDF), which is a compressed binary format. Data in the HDF file can be visualized on Windows computers with the program Model Viewer and extracted with the utility program PHASTHDF; both programs are distributed with PHAST.

Diode-rectified multiphase AC arc for the improvement of electrode erosion characteristics

NASA Astrophysics Data System (ADS)

Tanaka, Manabu; Hashizume, Taro; Saga, Koki; Matsuura, Tsugio; Watanabe, Takayuki

2017-11-01

An innovative multiphase AC arc (MPA) system was developed on the basis of a diode-rectification technique to improve electrode erosion characteristics. Conventionally, electrode erosion in AC arc is severer than that in DC arc. This originated from the fact that the required properties for the cathode and anode are different, although an AC electrode works as the cathode and the anode periodically. To solve this problem, a separation of AC electrodes into pairs of thoriated tungsten cathode and copper anode by diode-rectification was attempted. A diode-rectified multiphase AC arc (DRMPA) system was then successfully established, resulting in a drastic improvement of the erosion characteristics. The electrode erosion rate in the DRMPA was less than one-third of that in the conventional MPA without the diode rectification. In order to clarify its erosion mechanism, electrode phenomena during discharge were visualized by a high-speed camera system with appropriate band-pass filters. Fluctuation characteristics of the electrode temperature in the DRMPA were revealed.

The Deposition of Multicomponent Films for Electrooptic Applications via a Computer Controlled Dual Ion Beam Sputtering System

DTIC Science & Technology

1991-12-31

AD-A252 218 The Deposition of Multicomponent Films for Electrooptic Applications via a Computer Controlled Dual Ion Beam Sputtering System ONR...6 3 2. Deposition of Electrooptic Thin Films ................................... 11 3. High Resolution Imaging of Twin and Antiphase...Domain Boundaries in Perovskite KNbO3 Thin Films .......... 30 4. Microstructural Characterization of the Epitaxial3 (111) KNbO3 on (0001) Sapphire

Diffuse interface method for a compressible binary fluid.

PubMed

Liu, Jiewei; Amberg, Gustav; Do-Quang, Minh

2016-01-01

Multicomponent, multiphase, compressible flows are very important in real life, as well as in scientific research, while their modeling is in an early stage. In this paper, we propose a diffuse interface model for compressible binary mixtures, based on the balance of mass, momentum, energy, and the second law of thermodynamics. We show both analytically and numerically that this model is able to describe the phase equilibrium for a real binary mixture (CO_{2} + ethanol is considered in this paper) very well by adjusting the parameter which measures the attraction force between molecules of the two components in the model. We also show that the calculated surface tension of the CO_{2} + ethanol mixture at different concentrations match measurements in the literature when the mixing capillary coefficient is taken to be the geometric mean of the capillary coefficient of each component. Three different cases of two droplets in a shear flow, with the same or different concentration, are simulated, showing that the higher concentration of CO_{2} the smaller the surface tension and the easier the drop deforms.

Multiphase flow microfluidics for the production of single or multiple emulsions for drug delivery.

PubMed

Zhao, Chun-Xia

2013-11-01

Considerable effort has been directed towards developing novel drug delivery systems. Microfluidics, capable of generating monodisperse single and multiple emulsion droplets, executing precise control and operations on these droplets, is a powerful tool for fabricating complex systems (microparticles, microcapsules, microgels) with uniform size, narrow size distribution and desired properties, which have great potential in drug delivery applications. This review presents an overview of the state-of-the-art multiphase flow microfluidics for the production of single emulsions or multiple emulsions for drug delivery. The review starts with a brief introduction of the approaches for making single and multiple emulsions, followed by presentation of some potential drug delivery systems (microparticles, microcapsules and microgels) fabricated in microfluidic devices using single or multiple emulsions as templates. The design principles, manufacturing processes and properties of these drug delivery systems are also discussed and compared. Furthermore, drug encapsulation and drug release (including passive and active controlled release) are provided and compared highlighting some key findings and insights. Finally, site-targeting delivery using multiphase flow microfluidics is also briefly introduced. Copyright © 2013 Elsevier B.V. All rights reserved.

Numerical study of Tallinn storm-water system flooding conditions using CFD simulations of multi-phase flow in a large-scale inverted siphon

NASA Astrophysics Data System (ADS)

Kaur, K.; Laanearu, J.; Annus, I.

2017-10-01

The numerical experiments are carried out for qualitative and quantitative interpretation of a multi-phase flow processes associated with malfunctioning of the Tallinn storm-water system during rain storms. The investigations are focused on the single-line inverted siphon, which is used as under-road connection of pipes of the storm-water system under interest. A multi-phase flow solver of Computational Fluid Dynamics software OpenFOAM is used for simulating the three-phase flow dynamics in the hydraulic system. The CFD simulations are performed with different inflow rates under same initial conditions. The computational results are compared essentially in two cases 1) design flow rate and 2) larger flow rate, for emptying the initially filled inverted siphon from a slurry-fluid. The larger flow-rate situations are under particular interest to detected possible flooding. In this regard, it is anticipated that the CFD solutions provide an important insight to functioning of inverted siphon under a restricted water-flow conditions at simultaneous presence of air and slurry-fluid.

Pore-scale simulation of CO2-water-rock interactions

NASA Astrophysics Data System (ADS)

Deng, H.; Molins, S.; Steefel, C. I.; DePaolo, D. J.

2017-12-01

In Geologic Carbon Storage (GCS) systems, the migration of scCO2 versus CO2-acidifed brine ultimately determines the extent of mineral trapping and caprock integrity, i.e. the long-term storage efficiency and security. While continuum scale multiphase reactive transport models are valuable for large scale investigations, they typically (over-)simplify pore-scale dynamics and cannot capture local heterogeneities that may be important. Therefore, pore-scale models are needed in order to provide mechanistic understanding of how fine scale structural variations and heterogeneous processes influence the transport and geochemistry in the context of multiphase flow, and to inform parameterization of continuum scale modeling. In this study, we investigate the interplay of different processes at pore scale (e.g. diffusion, reactions, and multiphase flow) through the coupling of a well-developed multiphase flow simulator with a sophisticated reactive transport code. The objectives are to understand where brine displaced by scCO2 will reside in a rough pore/fracture, and how the CO2-water-rock interactions may affect the redistribution of different phases. In addition, the coupled code will provide a platform for model testing in pore-scale multiphase reactive transport problems.

Possibility of designing catalysts beyond the traditional volcano curve: a theoretical framework for multi-phase surfaces.

PubMed

Wang, Ziyun; Wang, Hai-Feng; Hu, P

2015-10-01

The current theory of catalyst activity in heterogeneous catalysis is mainly obtained from the study of catalysts with mono-phases, while most catalysts in real systems consist of multi-phases, the understanding of which is far short of chemists' expectation. Density functional theory (DFT) and micro-kinetics simulations are used to investigate the activities of six mono-phase and nine bi-phase catalysts, using CO hydrogenation that is arguably the most typical reaction in heterogeneous catalysis. Excellent activities that are beyond the activity peak of traditional mono-phase volcano curves are found on some bi-phase surfaces. By analyzing these results, a new framework to understand the unexpected activities of bi-phase surfaces is proposed. Based on the framework, several principles for the design of multi-phase catalysts are suggested. The theoretical framework extends the traditional catalysis theory to understand more complex systems.

Multiphase flow of miscible liquids: jets and drops

NASA Astrophysics Data System (ADS)

Walker, Travis W.; Logia, Alison N.; Fuller, Gerald G.

2015-05-01

Drops and jets of liquids that are miscible with the surrounding bulk liquid are present in many processes from cleaning surfaces with the aid of liquid soaps to the creation of biocompatible implants for drug delivery. Although the interactions of immiscible drops and jets show similarities to miscible systems, the small, transient interfacial tension associated with miscible systems create distinct outcomes such as intricate droplet shapes and breakup resistant jets. Experiments have been conducted to understand several basic multiphase flow problems involving miscible liquids. Using high-speed imaging of the morphological evolution of the flows, we have been able to show that these processes are controlled by interfacial tensions. Further multiphase flows include investigating miscible jets, which allow the creation of fibers from inelastic materials that are otherwise difficult to process due to capillary breakup. This work shows that stabilization from the diminishing interfacial tensions of the miscible jets allows various elongated morphologies to be formed.

Segmented frequency-domain fluorescence lifetime measurements: minimizing the effects of photobleaching within a multi-component system.

PubMed

Marwani, Hadi M; Lowry, Mark; Keating, Patrick; Warner, Isiah M; Cook, Robert L

2007-11-01

This study introduces a newly developed frequency segmentation and recombination method for frequency-domain fluorescence lifetime measurements to address the effects of changing fractional contributions over time and minimize the effects of photobleaching within multi-component systems. Frequency segmentation and recombination experiments were evaluated using a two component system consisting of fluorescein and rhodamine B. Comparison of experimental data collected in traditional and segmented fashion with simulated data, generated using different changing fractional contributions, demonstrated the validity of the technique. Frequency segmentation and recombination was also applied to a more complex system consisting of pyrene with Suwannee River fulvic acid reference and was shown to improve recovered lifetimes and fractional intensity contributions. It was observed that photobleaching in both systems led to errors in recovered lifetimes which can complicate the interpretation of lifetime results. Results showed clear evidence that the frequency segmentation and recombination method reduced errors resulting from a changing fractional contribution in a multi-component system, and allowed photobleaching issues to be addressed by commercially available instrumentation.

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

Zamzam, Ahmed, S.; Zhaoy, Changhong; Dall'Anesey, Emiliano

This paper examines the AC Optimal Power Flow (OPF) problem for multiphase distribution networks featuring renewable energy resources (RESs). We start by outlining a power flow model for radial multiphase systems that accommodates wye-connected and delta-connected RESs and non-controllable energy assets. We then formalize an AC OPF problem that accounts for both types of connections. Similar to various AC OPF renditions, the resultant problem is a non convex quadratically-constrained quadratic program. However, the so-called Feasible Point Pursuit-Successive Convex Approximation algorithm is leveraged to obtain a feasible and yet locally-optimal solution. The merits of the proposed solution approach are demonstrated usingmore » two unbalanced multiphase distribution feeders with both wye and delta connections.« less

Experimental evidence for excess entropy discontinuities in glass-forming solutions.

PubMed

Lienhard, Daniel M; Zobrist, Bernhard; Zuend, Andreas; Krieger, Ulrich K; Peter, Thomas

2012-02-21

Glass transition temperatures T(g) are investigated in aqueous binary and multi-component solutions consisting of citric acid, calcium nitrate (Ca(NO(3))(2)), malonic acid, raffinose, and ammonium bisulfate (NH(4)HSO(4)) using a differential scanning calorimeter. Based on measured glass transition temperatures of binary aqueous mixtures and fitted binary coefficients, the T(g) of multi-component systems can be predicted using mixing rules. However, the experimentally observed T(g) in multi-component solutions show considerable deviations from two theoretical approaches considered. The deviations from these predictions are explained in terms of the molar excess mixing entropy difference between the supercooled liquid and glassy state at T(g). The multi-component mixtures involve contributions to these excess mixing entropies that the mixing rules do not take into account. © 2012 American Institute of Physics

Programmed packaging of multicomponent envelope-type nanoparticle system for gene delivery

NASA Astrophysics Data System (ADS)

Pozzi, Daniela; Marianecci, Carlotta; Carafa, Maria; Marchini, Cristina; Montani, Maura; Amici, Augusto; Caracciolo, Giulio

2010-05-01

A programmed packaging strategy to develop a multicomponent envelope-type nanoparticle system (MENS) is presented. To this end, we took specific advantage of using in-house tailored liposomes that have been recently shown to exhibit intrinsic endosomal rupture properties that allow plasmid DNA to escape from endosomes and to enter the nucleus with extremely high efficiency. Transfection efficiency experiments on NIH 3T3 mouse fibroblasts indicate that MENS is a promising transfection candidate.

Multicomponent Implant Releasing Dexamethasone

NASA Astrophysics Data System (ADS)

Nikkola, L.; Vapalahti, K.; Ashammakhi, N.

2008-02-01

Several inflammatory conditions are usually treated with corticosteroids. There are various problems like side effects with traditional applications of steroids, e.g. topical, or systemic routes. Local drug delivery systems have been studied and developed to gain more efficient administration with fewer side effects. Earlier, we reported on developing Dexamethasone (DX) releasing biodegradable fibers. However, their drug release properties were not satisfactory in terms of onset of drug release. Thus, we assessed the development of multicomponent (MC) implant to enhance earlier drug release from such biodegradable fibers. Poly (lactide-co-glycolide) (PLGA) and 2 wt-% and 8 wt-% DX were compounded and extruded with twin-screw extruder to form of fibers. Some of the fibers were sterilized to obtain a change in drug release properties. Four different fiber classes were studied: 2 wt-%, 8 wt-%, sterilized 2 wt-%, and sterilized 8 wt-%. 3×4 different DX-releasing fibers were then heat-pressed to form one multicomponent rod. Half of the rods where sterilized. Drug release was measured from initial fibers and multicomponent rods using a UV/VIS spectrometer. Shear strength and changes in viscosity were also measured. Drug release studies showed that drug release commenced earlier from multicomponent rods than from component fibers. Drug release from multicomponent rods lasted from day 30 to day 70. The release period of sterilized rods extended from day 23 to day 57. When compared to the original component fibers, the drug release from MC rods commenced earlier. The initial shear strength of MC rods was 135 MPa and decreased to 105 MPa during four weeks of immersion in phosphate buffer solution. Accordingly, heat pressing has a positive effect on drug release. After four weeks in hydrolysis, no disintegration was observed.

Using a mixed-methods design to examine nurse practitioner integration in British Columbia.

PubMed

Sangster-Gormley, Esther; Griffith, Janessa; Schreiber, Rita; Borycki, Elizabeth

2015-07-01

To discuss and provide examples of how mixed-methods research was used to evaluate the integration of nurse practitioners (NPs) into a Canadian province. Legislation enabling NPs to practise in British Columbia (BC) was enacted in 2005. This research evaluated the integration of NPs and their effect on the BC healthcare system. Data were collected using surveys, focus groups, participant interviews and case studies over three years. Data sources and methods were triangulated to determine how the findings addressed the research questions. The challenges and benefits of using the multiphase design are highlighted in the paper. The multiphase mixed-methods research design was selected because of its applicability to evaluation research. The design proved to be robust and flexible in answering research questions. As sub-studies within the multiphase design are often published separately, it can be difficult for researchers to find examples. This paper highlights ways that a multiphase mixed-methods design can be conducted for researchers unfamiliar with the process.

Dynamics Determine Signaling in a Multicomponent System Associated with Rheumatoid Arthritis.

PubMed

Lindgren, Cecilia; Tyagi, Mohit; Viljanen, Johan; Toms, Johannes; Ge, Changrong; Zhang, Naru; Holmdahl, Rikard; Kihlberg, Jan; Linusson, Anna

2018-05-24

Strategies that target multiple components are usually required for treatment of diseases originating from complex biological systems. The multicomponent system consisting of the DR4 major histocompatibility complex type II molecule, the glycopeptide CII259-273 from type II collagen, and a T-cell receptor is associated with development of rheumatoid arthritis (RA). We introduced non-native amino acids and amide bond isosteres into CII259-273 and investigated the effect on binding to DR4 and the subsequent T-cell response. Molecular dynamics simulations revealed that complexes between DR4 and derivatives of CII259-273 were highly dynamic. Signaling in the overall multicomponent system was found to depend on formation of an appropriate number of dynamic intramolecular hydrogen bonds between DR4 and CII259-273, together with the positioning of the galactose moiety of CII259-273 in the DR4 binding groove. Interestingly, the system tolerated modifications at several positions in CII259-273, indicating opportunities to use analogues to increase our understanding of how rheumatoid arthritis develops and for evaluation as vaccines to treat RA.

Exposing Differences in Monomer Exchange Rates of Multicomponent Supramolecular Polymers in Water.

PubMed

Baker, Matthew B; Gosens, Ronald P J; Albertazzi, Lorenzo; Matsumoto, Nicholas M; Palmans, Anja R A; Meijer, E W

2016-02-02

The formation of multicomponent and bioactive supramolecular polymers is a promising strategy for the formation of biomaterials that match the dynamic and responsive nature of biological systems. In order to fully realize the potential of this strategy, knowledge of the location and behavior of bioactive components within the system is crucial. By employing synthetic strategies to create multifunctional monomers, coupled with FRET and STORM techniques, we have investigated the formation and behavior of a bioactive and multicomponent supramolecular polymer. By creating a peptide-dye-monomer conjugate, we were able to measure high degrees of monomer incorporation and to visualize the equal distribution of monomers within the supramolecular polymer. Furthermore, by tracking the movement of monomers, we uncovered small differences in the dynamics of the bioactive monomers. © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

Modeling the formation of iron sulfide scales using thermodynamic simulation software

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

Anderko, A.; Shuler, P.J.

1998-12-31

A program has been developed for generating stability diagrams that concisely represent the thermodynamic state of multicomponent, multiphase aqueous systems in wide ranges of temperature and component concentrations. The diagrams are based on a thermodynamic model that combines the Helgeson-Kirkham-Flowers equation of state for standard-state properties with a solutions nonideality model based on the activity coefficient expressions developed by Bromley and Pitzer. The diagrams offer a flexible choice of independent variables, which include component concentrations in addition to the potential and pH. The stability diagrams are used to predict the conditions that favor the formation of stable and metastable ironmore » sulfide species, which are commonly deposited under oil field-related conditions. First, the diagrams have been applied to establish a sequence of transformations that iron sulfides undergo as they age. The predicted transformation sequences take into account environmental variables (e.g., hydrogen sulfide concentration, oxygen availability, etc.). The predictions are in agreement with experimental data on iron sulfide formation at the iron/solution interface and in bulk solution. The understanding of iron sulfide transformation sequences makes it possible to simulate experimental studies of H{sub 2}S/CO{sub 2} corrosion in the presence or absence of oxygen. A comparison with laboratory corrosion rate data under gas pipeline conditions indicates that the magnitude of corrosion rates can be correlated with the predicted stability of metastable iron sulfide phases.« less

New physical concepts for cell amoeboid motion.

PubMed Central

Evans, E

1993-01-01

Amoeboid motion of cells is an essential mechanism in the function of many biological organisms (e.g., the regiment of scavenger cells in the immune defense system of animals). This process involves rapid chemical polymerization (with numerous protein constituents) to create a musclelike contractile network that advances the cell over the surface. Significant progress has been made in the biology and biochemistry of motile cells, but the physical dynamics of cell spreading and contraction are not well understood. The reason is that general approaches are formulated from complex mass, momentum, and chemical reaction equations for multiphase-multicomponent flow with the nontrivial difficulty of moving boundaries. However, there are strong clues to the dynamics that allow bold steps to be taken in simplifying the physics of motion. First, amoeboid cells often exhibit exceptional kinematics, i.e., steady advance and retraction of local fixed-shape patterns. Second, recent evidence has shown that cell projections "grow" by polymerization along the advancing boundary of the cell. Together, these characteristics represent a local growth process pinned to the interfacial contour of a contractile network. As such, the moving boundary becomes tractable, but subtle features of the motion lead to specific requirements for the chemical nature of the boundary polymerization process. To demonstrate these features, simple examples for limiting conditions of substrate interaction (i.e., "strong" and "weak" adhesion) are compared with data from experimental studies of yeast particle engulfment by blood granulocytes and actin network dynamics in fishscale keratocytes. Images FIGURE 2 FIGURE 4 PMID:8494986

New physical concepts for cell amoeboid motion.

PubMed

Evans, E

1993-04-01

Amoeboid motion of cells is an essential mechanism in the function of many biological organisms (e.g., the regiment of scavenger cells in the immune defense system of animals). This process involves rapid chemical polymerization (with numerous protein constituents) to create a musclelike contractile network that advances the cell over the surface. Significant progress has been made in the biology and biochemistry of motile cells, but the physical dynamics of cell spreading and contraction are not well understood. The reason is that general approaches are formulated from complex mass, momentum, and chemical reaction equations for multiphase-multicomponent flow with the nontrivial difficulty of moving boundaries. However, there are strong clues to the dynamics that allow bold steps to be taken in simplifying the physics of motion. First, amoeboid cells often exhibit exceptional kinematics, i.e., steady advance and retraction of local fixed-shape patterns. Second, recent evidence has shown that cell projections "grow" by polymerization along the advancing boundary of the cell. Together, these characteristics represent a local growth process pinned to the interfacial contour of a contractile network. As such, the moving boundary becomes tractable, but subtle features of the motion lead to specific requirements for the chemical nature of the boundary polymerization process. To demonstrate these features, simple examples for limiting conditions of substrate interaction (i.e., "strong" and "weak" adhesion) are compared with data from experimental studies of yeast particle engulfment by blood granulocytes and actin network dynamics in fishscale keratocytes.

Formulation of strongly non-local, non-isothermal dynamics for heterogeneous solids based on the GENERIC with application to phase-field modeling

NASA Astrophysics Data System (ADS)

Hütter, Markus; Svendsen, Bob

2017-12-01

The purpose of the current work is the formulation of models for conservative and non-conservative dynamics in solid systems with the help of the General Equation for the Non-Equilibrium Reversible-Irreversible Coupling (GENERIC: e.g., Grmela and Öttinger, Phys. Rev. E 56(6), 6620 (1997); Öttinger and Grmela, Phys. Rev. E 56(6), 6633 (1997)). In this context, the resulting models are inherently spatially strongly non-local (i.e., functional) and non-isothermal in character. They are applicable in particular to the modeling of phase transitions as well as mass and heat transport in multiphase, multicomponent solids. In the last part of the work, the strongly non-local model formulation is reduced to weakly non-local form with the help of generalized gradient approximation of the energy and entropy functionals. On this basis, the current model formulation is shown to be consistent with and reduce to a recent non-isothermal generalization (Gladkov et al., J. Non-Equilib. Thermodyn. 41(2), 131 (2016)) of the well-known phase-field models of Cahn and Hilliard (J. Chem. Phys. 28(2), 258 (1958)) for conservative dynamics and of Allen and Cahn (Acta Metall. 27(6), 1085 (1979)) for non-conservative dynamics. Finally, the current approach is applied to derive a non-isothermal generalization of a phase-field crystal model for binary alloys (see, e.g., Elder et al., Phys. Rev. B 75(6), 064107 (2007)).

PFLOTRAN User Manual: A Massively Parallel Reactive Flow and Transport Model for Describing Surface and Subsurface Processes

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

Lichtner, Peter C.; Hammond, Glenn E.; Lu, Chuan

PFLOTRAN solves a system of generally nonlinear partial differential equations describing multi-phase, multicomponent and multiscale reactive flow and transport in porous materials. The code is designed to run on massively parallel computing architectures as well as workstations and laptops (e.g. Hammond et al., 2011). Parallelization is achieved through domain decomposition using the PETSc (Portable Extensible Toolkit for Scientific Computation) libraries for the parallelization framework (Balay et al., 1997). PFLOTRAN has been developed from the ground up for parallel scalability and has been run on up to 218 processor cores with problem sizes up to 2 billion degrees of freedom. Writtenmore » in object oriented Fortran 90, the code requires the latest compilers compatible with Fortran 2003. At the time of this writing this requires gcc 4.7.x, Intel 12.1.x and PGC compilers. As a requirement of running problems with a large number of degrees of freedom, PFLOTRAN allows reading input data that is too large to fit into memory allotted to a single processor core. The current limitation to the problem size PFLOTRAN can handle is the limitation of the HDF5 file format used for parallel IO to 32 bit integers. Noting that 2 32 = 4; 294; 967; 296, this gives an estimate of the maximum problem size that can be currently run with PFLOTRAN. Hopefully this limitation will be remedied in the near future.« less

Dissolved gases in hydrothermal (phreatic) and geyser eruptions at Yellowstone National Park, USA

USGS Publications Warehouse

Hurwitz, Shaul; Clor, Laura; McCleskey, R. Blaine; Nordstrom, D. Kirk; Hunt, Andrew G.; Evans, William C.

2016-01-01

Multiphase and multicomponent fluid flow in the shallow continental crust plays a significant role in a variety of processes over a broad range of temperatures and pressures. The presence of dissolved gases in aqueous fluids reduces the liquid stability field toward lower temperatures and enhances the explosivity potential with respect to pure water. Therefore, in areas where magma is actively degassing into a hydrothermal system, gas-rich aqueous fluids can exert a major control on geothermal energy production, can be propellants in hazardous hydrothermal (phreatic) eruptions, and can modulate the dynamics of geyser eruptions. We collected pressurized samples of thermal water that preserved dissolved gases in conjunction with precise temperature measurements with depth in research well Y-7 (maximum depth of 70.1 m; casing to 31 m) and five thermal pools (maximum depth of 11.3 m) in the Upper Geyser Basin of Yellowstone National Park, USA. Based on the dissolved gas concentrations, we demonstrate that CO2 mainly derived from magma and N2 from air-saturated meteoric water reduce the near-surface saturation temperature, consistent with some previous observations in geyser conduits. Thermodynamic calculations suggest that the dissolved CO2 and N2 modulate the dynamics of geyser eruptions and are likely triggers of hydrothermal eruptions when recharged into shallow reservoirs at high concentrations. Therefore, monitoring changes in gas emission rate and composition in areas with neutral and alkaline chlorine thermal features could provide important information on the natural resources (geysers) and hazards (eruptions) in these areas.

Results of the Workshop on Two-Phase Flow, Fluid Stability and Dynamics: Issues in Power, Propulsion, and Advanced Life Support Systems

NASA Technical Reports Server (NTRS)

McQuillen, John; Rame, Enrique; Kassemi, Mohammad; Singh, Bhim; Motil, Brian

2003-01-01

The Two-phase Flow, Fluid Stability and Dynamics Workshop was held on May 15, 2003 in Cleveland, Ohio to define a coherent scientific research plan and roadmap that addresses the multiphase fluid problems associated with NASA s technology development program. The workshop participants, from academia, industry and government, prioritized various multiphase issues and generated a research plan and roadmap to resolve them. This report presents a prioritization of the various multiphase flow and fluid stability phenomena related primarily to power, propulsion, fluid and thermal management and advanced life support; and a plan to address these issues in a logical and timely fashion using analysis, ground-based and space-flight experiments.

Towards a Usability and Error "Safety Net": A Multi-Phased Multi-Method Approach to Ensuring System Usability and Safety.

PubMed

Kushniruk, Andre; Senathirajah, Yalini; Borycki, Elizabeth

2017-01-01

The usability and safety of health information systems have become major issues in the design and implementation of useful healthcare IT. In this paper we describe a multi-phased multi-method approach to integrating usability engineering methods into system testing to ensure both usability and safety of healthcare IT upon widespread deployment. The approach involves usability testing followed by clinical simulation (conducted in-situ) and "near-live" recording of user interactions with systems. At key stages in this process, usability problems are identified and rectified forming a usability and technology-induced error "safety net" that catches different types of usability and safety problems prior to releasing systems widely in healthcare settings.

A versatile electrophoresis system for the analysis of high- and low-molecular-weight proteins

PubMed Central

Tastet, Christophe; Lescuyer, Pierre; Diemer, Hélène; Luche, Sylvie; van Dorsselaer, Alain; Rabilloud, Thierry

2003-01-01

A new, versatile, multiphasic buffer system for high resolution sodium dodecyl sulfatepolyacrylamide gel electrophoresis of proteins in the relative molecular weight Mw range of 300,000-3000 Da is described. The system, based on the theory of multiphasic zone electrophoresis, allows complete stacking and destacking of proteins in the above Mw range. The buffer system uses taurine and chloride as trailing and leading ion, respectively, and Tris, at a pH close to its pKa, as the buffering counter ion. Coupled with limited variation in the acrylamide concentration, this electrophoresis system allows to tailor the resolution in the 6–200 kDa Mw range, with minimal difficulties in the post electrophoretic identification processes. PMID:12783456

Robust iterative learning control for multi-phase batch processes: an average dwell-time method with 2D convergence indexes

NASA Astrophysics Data System (ADS)

Wang, Limin; Shen, Yiteng; Yu, Jingxian; Li, Ping; Zhang, Ridong; Gao, Furong

2018-01-01

In order to cope with system disturbances in multi-phase batch processes with different dimensions, a hybrid robust control scheme of iterative learning control combined with feedback control is proposed in this paper. First, with a hybrid iterative learning control law designed by introducing the state error, the tracking error and the extended information, the multi-phase batch process is converted into a two-dimensional Fornasini-Marchesini (2D-FM) switched system with different dimensions. Second, a switching signal is designed using the average dwell-time method integrated with the related switching conditions to give sufficient conditions ensuring stable running for the system. Finally, the minimum running time of the subsystems and the control law gains are calculated by solving the linear matrix inequalities. Meanwhile, a compound 2D controller with robust performance is obtained, which includes a robust extended feedback control for ensuring the steady-state tracking error to converge rapidly. The application on an injection molding process displays the effectiveness and superiority of the proposed strategy.

A Data Management System for Multi-Phase Case-Control Studies

PubMed Central

Gibeau, Joanne M.; Steinfeldt, Lois C.; Stine, Mark J.; Tullis, Katherine V.; Lynch, H. Keith

1983-01-01

The design of a computerized system for the management of data in multi-phase epidemiologic case-control studies is described. Typical study phases include case-control selection, abstracting of data from medical records, and interview of study subjects or next of kin. In consultation with project personnel, requirements for the system were established: integration of data from all study phases into one data base, accurate follow-up of subjects through the study, sophisticated data editing capabilities, ready accessibility of specified programs to project personnel, and generation of current status and exception reports for project managment. SIR (Scientific Information Retrieval), a commercially available data base management system, was selected as the foundation of this system. The system forms a comprehensive data management system applicable to many types of public health research studies.

Multi-speed multi-phase resolver converter

NASA Technical Reports Server (NTRS)

Alhorn, Dean (Inventor); Howard, David (Inventor)

1994-01-01

A multiphase converter circuit generates a plurality of sinusoidal outputs of displaced phase and given speed value from the output of an angular resolver system attachable to a motor excited by these multi-phase outputs, the resolver system having a lower speed value than that of the motor. The angular resolver system provides in parallel format sequential digital numbers indicative of the amount of rotation of the shaft of an angular position sensor associated with the angular resolver system. These numbers are used to excite simultaneously identical addresses of a plurality of addressable memory systems, each memory system having stored therein at sequential addresses sequential values of a sinusoidal wavetrain of a given number of sinusoids. The stored wavetrain values represent sinusoids displaced from each other in phase according to the number of output phases desired. A digital-to-analog converter associated with each memory system converts each accessed word to a corresponding analog value to generate attendant to rotation of the angular resolver a sinusoidal wave of proper phase at each of the plurality of outputs. By properly orienting the angular resolver system with respect to the rotor of the motor, essentially ripple-free torque is supplied to the rotor. The angular resolver system may employ an analog resolver feeding an integrated circuit resolver-to-digital converter to produce the requisite digital values serving as addresses. Alternative versions employing incremental or absolute encoders are also described.

Multi-speed multi-phase resolver converter

NASA Technical Reports Server (NTRS)

Alhorn, Dean C. (Inventor); Howard, David E. (Inventor)

1995-01-01

A multiphase converter circuit generates a plurality of sinusoidal outputs of displaced phase and given speed value from the output of an angular resolver system attachable to a motor excited by these multi-phase outputs, the resolver system having a lower speed value than that of the motor. The angular resolver system provides in parallel format sequential digital numbers indicative of the amount of rotation of the shaft of an angular position sensor associated with the angular resolver system. These numbers are used to excite simultaneously identical addresses of a plurality of addressable memory systems, each memory system having stored therein at sequential addresses sequential values of a sinusoidal wavetrain of a given number of sinusoids. The stored wavetrain values represent sinusoids displaced from each other in phase according to the number of output phases desired. A digital-to-analog converter associated with each memory system converts each accessed word to a corresponding analog value to generate attendant to rotation of the angular resolver a sinusoidal wave of proper phase at each of the plurality of outputs. By properly orienting the angular resolver system with respect to the rotor of the motor, essentially ripple-free torque is supplied to the rotor. The angular resolver system may employ an analog resolver feeding an integrated circuit resolver-to-digital converter to produce the requisite digital values serving as addresses. Alternative versions employing incremental or absolute encoders are also described.

Automated Design of Board and MCM Level Digital Systems.

DTIC Science & Technology

1997-10-01

Partitioning for Multicomponent Synthesis 159 Appendix K: Resource Constrained RTL Partitioning for Synthesis of Multi- FPGA Designs 169 Appendix L...digital signal processing) ar- chitectures. These target architectures, illustrated in Figure 1, can contain application-specific ASICS, FPGAs ...synthesis tools for ASIC, FPGA and MCM synthesis (Figure 8). Multicomponent Partitioning Engine The par- titioning engine is a hierarchical partitioning

Specificity Switching Pathways in Thermal and Mass Evaporation of Multicomponent Hydrocarbon Droplets: A Mesoscopic Observation.

PubMed

Nasiri, Rasoul; Luo, Kai H

2017-07-10

For well over one century, the Hertz-Knudsen equation has established the relationship between thermal - mass transfer coefficients through a liquid - vapour interface and evaporation rate. These coefficients, however, have been often separately estimated for one-component equilibrium systems and their simultaneous influences on evaporation rate of fuel droplets in multicomponent systems have yet to be investigated at the atomic level. Here we first apply atomistic simulation techniques and quantum/statistical mechanics methods to understand how thermal and mass evaporation effects are controlled kinetically/thermodynamically. We then present a new development of a hybrid method of quantum transition state theory/improved kinetic gas theory, for multicomponent hydrocarbon systems to investigate how concerted-distinct conformational changes of hydrocarbons at the interface affect the evaporation rate. The results of this work provide an important physical concept in fundamental understanding of atomistic pathways in topological interface transitions of chain molecules, resolving an open problem in kinetics of fuel droplets evaporation.

Microbial ingrowth around single- and multi-component adhesives studied in vitro.

PubMed

Preussker, S; Klimm, W; Pöschmann, M; Koch, R

2003-01-01

The aim of this study was to compare the in vitro microbial leakage in 4 micro-hybrid composites in combination with 4 single-component dental adhesives (Scotchbond 1/Z100 MP = group 1; Syntac Single-Component/Tetric Flow = group 3; OptiBond Solo/XRV Herculite = group 5; Solobond M/Arabesk Top = group 7) and 4 multi-component dental adhesives (Scotchbond Multi-Purpose/Z100 MP = group 2; Syntac/Tetric Flow = group 4; OptiBond FL/XRV Herculite = group 6; Solobond Plus/Arabesk Top = group 8). Ninety-four mixed standardized Class V cavities of human caries-free extracted premolars were filled with eight different composite adhesive systems using a one-layer (groups 1-4) or a two-layer technique (groups 5-8). After thermocycling and incubation in a broth culture of Streptococcus mutans and Lactobacillus acidophilus, followed by decalcification and staining, the extent and the type of microbial leakage were measured histologically. The extent of microbial leakage in the composite restorations was very low in all groups and there were no significant differences between adhesives. Z100 MP in combination with single- and multi-component adhesives showed a significantly higher microbial leakage than Tetric Flow systems (U test: p=0.037). XRV Herculite adhesive systems showed significantly less extensive microbial leakage than Arabesk Top adhesive systems (U test: p<0.001). The single-component dental adhesives achieved a marginal adaptation of composites comparable to that of multi-component adhesives in vitro. Copyright 2003 S. Karger AG, Basel

Multi-phase CFD modeling of solid sorbent carbon capture system

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

Ryan, E. M.; DeCroix, D.; Breault, R.

2013-07-01

Computational fluid dynamics (CFD) simulations are used to investigate a low temperature post-combustion carbon capture reactor. The CFD models are based on a small scale solid sorbent carbon capture reactor design from ADA-ES and Southern Company. The reactor is a fluidized bed design based on a silica-supported amine sorbent. CFD models using both Eulerian–Eulerian and Eulerian–Lagrangian multi-phase modeling methods are developed to investigate the hydrodynamics and adsorption of carbon dioxide in the reactor. Models developed in both FLUENT® and BARRACUDA are presented to explore the strengths and weaknesses of state of the art CFD codes for modeling multi-phase carbon capturemore » reactors. The results of the simulations show that the FLUENT® Eulerian–Lagrangian simulations (DDPM) are unstable for the given reactor design; while the BARRACUDA Eulerian–Lagrangian model is able to simulate the system given appropriate simplifying assumptions. FLUENT® Eulerian–Eulerian simulations also provide a stable solution for the carbon capture reactor given the appropriate simplifying assumptions.« less

Multi-Phase CFD Modeling of Solid Sorbent Carbon Capture System

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

Ryan, Emily M.; DeCroix, David; Breault, Ronald W.

2013-07-30

Computational fluid dynamics (CFD) simulations are used to investigate a low temperature post-combustion carbon capture reactor. The CFD models are based on a small scale solid sorbent carbon capture reactor design from ADA-ES and Southern Company. The reactor is a fluidized bed design based on a silica-supported amine sorbent. CFD models using both Eulerian-Eulerian and Eulerian-Lagrangian multi-phase modeling methods are developed to investigate the hydrodynamics and adsorption of carbon dioxide in the reactor. Models developed in both FLUENT® and BARRACUDA are presented to explore the strengths and weaknesses of state of the art CFD codes for modeling multi-phase carbon capturemore » reactors. The results of the simulations show that the FLUENT® Eulerian-Lagrangian simulations (DDPM) are unstable for the given reactor design; while the BARRACUDA Eulerian-Lagrangian model is able to simulate the system given appropriate simplifying assumptions. FLUENT® Eulerian-Eulerian simulations also provide a stable solution for the carbon capture reactor given the appropriate simplifying assumptions.« less

[Study on biopharmaceutics classification system for Chinese materia medica of extract of Huanglian].

PubMed

Liu, Yang; Yin, Xiu-Wen; Wang, Zi-Yu; Li, Xue-Lian; Pan, Meng; Li, Yan-Ping; Dong, Ling

2017-11-01

One of the advantages of biopharmaceutics classification system of Chinese materia medica (CMMBCS) is expanding the classification research level from single ingredient to multi-components of Chinese herb, and from multi-components research to holistic research of the Chinese materia medica. In present paper, the alkaloids of extract of huanglian were chosen as the main research object to explore their change rules in solubility and intestinal permeability of single-component and multi-components, and to determine the biopharmaceutical classification of extract of Huanglian from holistic level. The typical shake-flask method and HPLC were used to detect the solubility of single ingredient of alkaloids from extract of huanglian. The quantitative research of alkaloids in intestinal absorption was measured in single-pass intestinal perfusion experiment while permeability coefficient of extract of huanglian was calculated by self-defined weight coefficient method. Copyright© by the Chinese Pharmaceutical Association.

Multicomponent Dark Matter in Radiative Seesaw Models

NASA Astrophysics Data System (ADS)

Aoki, Mayumi; Kaneko, Daiki; Kubo, Jisuke

2017-11-01

We discuss radiative seesaw models, in which an exact Z_2¥times Z_2' symmetry is imposed. Due to the exact Z_2¥times Z_2' symmetry, neutrino masses are generated at a two-loop level and at least two extra stable electrically neutral particles are predicted. We consider two models: one has a multi-component dark matter system and the other one has a dark radiation in addition to a dark matter. In the multi-component dark matter system, non-standard dark matter annihilation processes exist. We find that they play important roles in determining the relic abundance and also responsible for the monochromatic neutrino lines resulting from the dark matter annihilation process. In the model with the dark radiation, the structure of the Yukawa coupling is considerably constrained and gives an interesting relationship among cosmology, lepton flavor violating decay of the charged leptons and the decay of the inert Higgs bosons.

PFLOTRAN Verification: Development of a Testing Suite to Ensure Software Quality

NASA Astrophysics Data System (ADS)

Hammond, G. E.; Frederick, J. M.

2016-12-01

In scientific computing, code verification ensures the reliability and numerical accuracy of a model simulation by comparing the simulation results to experimental data or known analytical solutions. The model is typically defined by a set of partial differential equations with initial and boundary conditions, and verification ensures whether the mathematical model is solved correctly by the software. Code verification is especially important if the software is used to model high-consequence systems which cannot be physically tested in a fully representative environment [Oberkampf and Trucano (2007)]. Justified confidence in a particular computational tool requires clarity in the exercised physics and transparency in its verification process with proper documentation. We present a quality assurance (QA) testing suite developed by Sandia National Laboratories that performs code verification for PFLOTRAN, an open source, massively-parallel subsurface simulator. PFLOTRAN solves systems of generally nonlinear partial differential equations describing multiphase, multicomponent and multiscale reactive flow and transport processes in porous media. PFLOTRAN's QA test suite compares the numerical solutions of benchmark problems in heat and mass transport against known, closed-form, analytical solutions, including documentation of the exercised physical process models implemented in each PFLOTRAN benchmark simulation. The QA test suite development strives to follow the recommendations given by Oberkampf and Trucano (2007), which describes four essential elements in high-quality verification benchmark construction: (1) conceptual description, (2) mathematical description, (3) accuracy assessment, and (4) additional documentation and user information. Several QA tests within the suite will be presented, including details of the benchmark problems and their closed-form analytical solutions, implementation of benchmark problems in PFLOTRAN simulations, and the criteria used to assess PFLOTRAN's performance in the code verification procedure. References Oberkampf, W. L., and T. G. Trucano (2007), Verification and Validation Benchmarks, SAND2007-0853, 67 pgs., Sandia National Laboratories, Albuquerque, NM.

TOUGH+HYDRATE v1.2 User's Manual: A Code for the Simulation of System Behavior in Hydrate-Bearing Geologic Media

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

Moridis, George J.; Kowalsky, Michael B.; Pruess, Karsten

TOUGH+HYDRATE v1.2 is a code for the simulation of the behavior of hydratebearing geologic systems, and represents the second update of the code since its first release [Moridis et al., 2008]. By solving the coupled equations of mass and heat balance, TOUGH+HYDRATE can model the non-isothermal gas release, phase behavior and flow of fluids and heat under conditions typical of common natural CH4-hydrate deposits (i.e., in the permafrost and in deep ocean sediments) in complex geological media at any scale (from laboratory to reservoir) at which Darcy’s law is valid. TOUGH+HYDRATE v1.2 includes both an equilibrium and a kinetic modelmore » of hydrate formation and dissociation. The model accounts for heat and up to four mass components, i.e., water, CH4, hydrate, and water-soluble inhibitors such as salts or alcohols. These are partitioned among four possible phases (gas phase, liquid phase, ice phase and hydrate phase). Hydrate dissociation or formation, phase changes and the corresponding thermal effects are fully described, as are the effects of inhibitors. The model can describe all possible hydrate dissociation mechanisms, i.e., depressurization, thermal stimulation, salting-out effects and inhibitor-induced effects. TOUGH+HYDRATE is a member of TOUGH+, the successor to the TOUGH2 [Pruess et al., 1991] family of codes for multi-component, multiphase fluid and heat flow developed at the Lawrence Berkeley National Laboratory. It is written in standard FORTRAN 95/2003, and can be run on any computational platform (workstation, PC, Macintosh) for which such compilers are available.« less

NETL Crosscutting Research Video Series: Multiphase Flow

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

Li, Tingwen; Vaidheeswaran, Avinash

For over 30 years, NETL’s work in multiphase flow science has served as one of the cornerstones of the lab’s research portfolio. Multiphase flow refers to the simultaneous flow of gases, liquids and/or solid materials. The goal of the multiphase flow science team is to provide computational modeling tools to help offset the risk and cost of multiphase reactor development.

Application of multiphase modelling for vortex occurrence in vertical pump intake - a review

NASA Astrophysics Data System (ADS)

Samsudin, M. L.; Munisamy, K. M.; Thangaraju, S. K.

2015-09-01

Vortex formation within pump intake is one of common problems faced for power plant cooling water system. This phenomenon, categorised as surface and sub-surface vortices, can lead to several operational problems and increased maintenance costs. Physical model study was recommended from published guidelines but proved to be time and resource consuming. Hence, the use of Computational Fluid Dynamics (CFD) is an attractive alternative in managing the problem. At the early stage, flow analysis was conducted using single phase simulation and found to find good agreement with the observation from physical model study. With the development of computers, multiphase simulation found further enhancement in obtaining accurate results for representing air entrainment and sub-surface vortices which were earlier not well predicted from the single phase simulation. The purpose of this paper is to describe the application of multiphase modelling with CFD analysis for investigating vortex formation for a vertically inverted pump intake. In applying multiphase modelling, there ought to be a balance between the acceptable usage for computational time and resources and the degree of accuracy and realism in the results as expected from the analysis.

NMR studies of multiphase flows II

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

Altobelli, S.A.; Caprihan, A.; Fukushima, E.

NMR techniques for measurements of spatial distribution of material phase, velocity and velocity fluctuation are being developed and refined. Versions of these techniques which provide time average liquid fraction and fluid phase velocity have been applied to several concentrated suspension systems which will not be discussed extensively here. Technical developments required to further extend the use of NMR to the multi-phase flow arena and to provide measurements of previously unobtainable parameters are the focus of this report.

Dynamics of coarsening in multicomponent lipid vesicles with non-uniform mechanical properties

NASA Astrophysics Data System (ADS)

Funkhouser, Chloe M.; Solis, Francisco J.; Thornton, K.

2014-04-01

Multicomponent lipid vesicles are commonly used as a model system for the complex plasma membrane. One phenomenon that is studied using such model systems is phase separation. Vesicles composed of simple lipid mixtures can phase-separate into liquid-ordered and liquid-disordered phases, and since these phases can have different mechanical properties, this separation can lead to changes in the shape of the vesicle. In this work, we investigate the dynamics of phase separation in multicomponent lipid vesicles, using a model that couples composition to mechanical properties such as bending rigidity and spontaneous curvature. The model allows the vesicle surface to deform while conserving surface area and composition. For vesicles initialized as spheres, we study the effects of phase fraction and spontaneous curvature. We additionally initialize two systems with elongated, spheroidal shapes. Dynamic behavior is contrasted in systems where only one phase has a spontaneous curvature similar to the overall vesicle surface curvature and systems where the spontaneous curvatures of both phases are similar to the overall curvature. The bending energy contribution is typically found to slow the dynamics by stabilizing configurations with multiple domains. Such multiple-domain configurations are found more often in vesicles with spheroidal shapes than in nearly spherical vesicles.

NETL Crosscutting Research Video Series: Multiphase Flow (Short Version)

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

None

For over 30 years, NETL’s work in multiphase flow science has served as one of the cornerstones of the lab’s research portfolio. Multiphase flow refers to the simultaneous flow of gases, liquids and/or solid materials. The goal of the multiphase flow science team is to provide computational modeling tools to help offset the risk and cost of multiphase reactor development.

TOGA: A TOUGH code for modeling three-phase, multi-component, and non-isothermal processes involved in CO 2-based Enhanced Oil Recovery

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

Pan, Lehua; Oldenburg, Curtis M.

TOGA is a numerical reservoir simulator for modeling non-isothermal flow and transport of water, CO 2, multicomponent oil, and related gas components for applications including CO 2-enhanced oil recovery (CO 2-EOR) and geologic carbon sequestration in depleted oil and gas reservoirs. TOGA uses an approach based on the Peng-Robinson equation of state (PR-EOS) to calculate the thermophysical properties of the gas and oil phases including the gas/oil components dissolved in the aqueous phase, and uses a mixing model to estimate the thermophysical properties of the aqueous phase. The phase behavior (e.g., occurrence and disappearance of the three phases, gas +more » oil + aqueous) and the partitioning of non-aqueous components (e.g., CO 2, CH 4, and n-oil components) between coexisting phases are modeled using K-values derived from assumptions of equal-fugacity that have been demonstrated to be very accurate as shown by comparison to measured data. Models for saturated (water) vapor pressure and water solubility (in the oil phase) are used to calculate the partitioning of the water (H 2O) component between the gas and oil phases. All components (e.g., CO 2, H 2O, and n hydrocarbon components) are allowed to be present in all phases (aqueous, gaseous, and oil). TOGA uses a multiphase version of Darcy’s Law to model flow and transport through porous media of mixtures with up to three phases over a range of pressures and temperatures appropriate to hydrocarbon recovery and geologic carbon sequestration systems. Transport of the gaseous and dissolved components is by advection and Fickian molecular diffusion. New methods for phase partitioning and thermophysical property modeling in TOGA have been validated against experimental data published in the literature for describing phase partitioning and phase behavior. Flow and transport has been verified by testing against related TOUGH2 EOS modules and CMG. The code has also been validated against a CO 2-EOR experimental core flood involving flow of three phases and 12 components. Results of simulations of a hypothetical 3D CO 2-EOR problem involving three phases and multiple components are presented to demonstrate the field-scale capabilities of the new code. This user guide provides instructions for use and sample problems for verification and demonstration.« less

Multicomponent quantitative spectroscopic analysis without reference substances based on ICA modelling.

PubMed

Monakhova, Yulia B; Mushtakova, Svetlana P

2017-05-01

A fast and reliable spectroscopic method for multicomponent quantitative analysis of targeted compounds with overlapping signals in complex mixtures has been established. The innovative analytical approach is based on the preliminary chemometric extraction of qualitative and quantitative information from UV-vis and IR spectral profiles of a calibration system using independent component analysis (ICA). Using this quantitative model and ICA resolution results of spectral profiling of "unknown" model mixtures, the absolute analyte concentrations in multicomponent mixtures and authentic samples were then calculated without reference solutions. Good recoveries generally between 95% and 105% were obtained. The method can be applied to any spectroscopic data that obey the Beer-Lambert-Bouguer law. The proposed method was tested on analysis of vitamins and caffeine in energy drinks and aromatic hydrocarbons in motor fuel with 10% error. The results demonstrated that the proposed method is a promising tool for rapid simultaneous multicomponent analysis in the case of spectral overlap and the absence/inaccessibility of reference materials.

Diffusion Coefficients from Molecular Dynamics Simulations in Binary and Ternary Mixtures

NASA Astrophysics Data System (ADS)

Liu, Xin; Schnell, Sondre K.; Simon, Jean-Marc; Krüger, Peter; Bedeaux, Dick; Kjelstrup, Signe; Bardow, André; Vlugt, Thijs J. H.

2013-07-01

Multicomponent diffusion in liquids is ubiquitous in (bio)chemical processes. It has gained considerable and increasing interest as it is often the rate limiting step in a process. In this paper, we review methods for calculating diffusion coefficients from molecular simulation and predictive engineering models. The main achievements of our research during the past years can be summarized as follows: (1) we introduced a consistent method for computing Fick diffusion coefficients using equilibrium molecular dynamics simulations; (2) we developed a multicomponent Darken equation for the description of the concentration dependence of Maxwell-Stefan diffusivities. In the case of infinite dilution, the multicomponent Darken equation provides an expression for [InlineEquation not available: see fulltext.] which can be used to parametrize the generalized Vignes equation; and (3) a predictive model for self-diffusivities was proposed for the parametrization of the multicomponent Darken equation. This equation accurately describes the concentration dependence of self-diffusivities in weakly associating systems. With these methods, a sound framework for the prediction of mutual diffusion in liquids is achieved.

Planar ceramic membrane assembly and oxidation reactor system

DOEpatents

Carolan, Michael Francis; Dyer, legal representative, Kathryn Beverly; Wilson, Merrill Anderson; Ohm, Ted R.; Kneidel, Kurt E.; Peterson, David; Chen, Christopher M.; Rackers, Keith Gerard; Dyer, deceased, Paul Nigel

2007-10-09

Planar ceramic membrane assembly comprising a dense layer of mixed-conducting multi-component metal oxide material, wherein the dense layer has a first side and a second side, a porous layer of mixed-conducting multi-component metal oxide material in contact with the first side of the dense layer, and a ceramic channeled support layer in contact with the second side of the dense layer. The planar ceramic membrane assembly can be used in a ceramic wafer assembly comprising a planar ceramic channeled support layer having a first side and a second side; a first dense layer of mixed-conducting multi-component metal oxide material having an inner side and an outer side, wherein the inner side is in contact with the first side of the ceramic channeled support layer; a first outer support layer comprising porous mixed-conducting multi-component metal oxide material and having an inner side and an outer side, wherein the inner side is in contact with the outer side of the first dense layer; a second dense layer of mixed-conducting multi-component metal oxide material having an inner side and an outer side, wherein the inner side is in contact with the second side of the ceramic channeled layer; and a second outer support layer comprising porous mixed-conducting multi-component metal oxide material and having an inner side and an outer side, wherein the inner side is in contact with the outer side of the second dense layer.

Planar ceramic membrane assembly and oxidation reactor system

DOEpatents

Carolan, Michael Francis; Dyer, legal representative, Kathryn Beverly; Wilson, Merrill Anderson; Ohrn, Ted R.; Kneidel, Kurt E.; Peterson, David; Chen, Christopher M.; Rackers, Keith Gerard; Dyer, Paul Nigel

2009-04-07

Planar ceramic membrane assembly comprising a dense layer of mixed-conducting multi-component metal oxide material, wherein the dense layer has a first side and a second side, a porous layer of mixed-conducting multi-component metal oxide material in contact with the first side of the dense layer, and a ceramic channeled support layer in contact with the second side of the dense layer. The planar ceramic membrane assembly can be used in a ceramic wafer assembly comprising a planar ceramic channeled support layer having a first side and a second side; a first dense layer of mixed-conducting multi-component metal oxide material having an inner side and an outer side, wherein the inner side is in contact with the first side of the ceramic channeled support layer; a first outer support layer comprising porous mixed-conducting multi-component metal oxide material and having an inner side and an outer side, wherein the inner side is in contact with the outer side of the first dense layer; a second dense layer of mixed-conducting multi-component metal oxide material having an inner side and an outer side, wherein the inner side is in contact with the second side of the ceramic channeled layer; and a second outer support layer comprising porous mixed-conducting multi-component metal oxide material and having an inner side and an outer side, wherein the inner side is in contact with the outer side of the second dense layer.

Pore-scale discretisation limits of multiphase lattice-Boltzmann methods

NASA Astrophysics Data System (ADS)

Li, Z.; Middleton, J.; Varslot, T.; Sheppard, A.

2015-12-01

Lattice-Boltzmann (LB) modeling is a popular method for the numerical solution of the Navier-Stokes equations and several multi-component LB models are widely used to simulate immiscible two-phase fluid flow in porous media. However, there has been relatively little study of the models' ability to make optimal use of 3D imagery by considering the minimum number of grid points that are needed to represent geometric features such as pore throats. This is of critical importance since 3D images of geological samples are a compromise between resolution and field of view. In this work we explore the discretisation limits of LB models, their behavior near these limits, and the consequences of this behavior for simulations of drainage and imbibition. We quantify the performance of two commonly used multiphase LB models: Shan-Chen (SC) and Rothman-Keller (RK) models in a set of tests, including simulations of bubbles in bulk fluid, on flat surfaces, confined in flat/tilted tubes, and fluid invasion into single tubes. Simple geometries like these allow better quantification of model behavior and better understanding of breakdown mechanisms. In bulk fluid, bubble radii less than 2.5 grid units (image voxels) cause numerical instability in SC model; the RK model is stable to a radius of 2.5 units and below, but with poor agreement with the Laplace's law. When confined to a flat duct, the SC model can simulate similar radii to RK model, but with higher interface spurious currents than the RK model and some risk of instability. In tilted ducts with 'staircase' voxel-level roughness, the SC model seems to average the roughness, whereas for RK model only the 'peaks' of the surface are relevant. Overall, our results suggest that LB models can simulate fluid capillary pressure corresponding to interfacial radii of just 1.5 grid units, with the RK model exhibiting significantly better stability.

From supramolecular polymers to multi-component biomaterials.

PubMed

Goor, Olga J G M; Hendrikse, Simone I S; Dankers, Patricia Y W; Meijer, E W

2017-10-30

The most striking and general property of the biological fibrous architectures in the extracellular matrix (ECM) is the strong and directional interaction between biologically active protein subunits. These fibers display rich dynamic behavior without losing their architectural integrity. The complexity of the ECM taking care of many essential properties has inspired synthetic chemists to mimic these properties in artificial one-dimensional fibrous structures with the aim to arrive at multi-component biomaterials. Due to the dynamic character required for interaction with natural tissue, supramolecular biomaterials are promising candidates for regenerative medicine. Depending on the application area, and thereby the design criteria of these multi-component fibrous biomaterials, they are used as elastomeric materials or hydrogel systems. Elastomeric materials are designed to have load bearing properties whereas hydrogels are proposed to support in vitro cell culture. Although the chemical structures and systems designed and studied today are rather simple compared to the complexity of the ECM, the first examples of these functional supramolecular biomaterials reaching the clinic have been reported. The basic concept of many of these supramolecular biomaterials is based on their ability to adapt to cell behavior as a result of dynamic non-covalent interactions. In this review, we show the translation of one-dimensional supramolecular polymers into multi-component functional biomaterials for regenerative medicine applications.

Defect Clustering and Nano-Phase Structure Characterization of Multi-Component Rare Earth Oxide Doped Zirconia-Yttria Thermal Barrier Coatings

NASA Technical Reports Server (NTRS)

Zhu, Dongming; Chen, Yuan L.; Miller, Robert A.

1990-01-01

Advanced oxide thermal barrier coatings have been developed by incorporating multi- component rare earth oxide dopants into zirconia-yttria to effectively promote the creation of the thermodynamically stable, immobile oxide defect clusters and/or nano-scale phases within the coating systems. The presence of these nano-sized defect clusters has found to significantly reduce the coating intrinsic thermal conductivity, improve sintering resistance, and maintain long-term high temperature stability. In this paper, the defect clusters and nano-structured phases, which were created by the addition of multi-component rare earth dopants to the plasma- sprayed and electron-beam physical vapor deposited thermal barrier coatings, were characterized by high-resolution transmission electron microscopy (TEM). The defect cluster size, distribution, crystallographic and compositional information were investigated using high-resolution TEM lattice imaging, selected area diffraction (SAD), and energy dispersive spectroscopy (EDS) analysis techniques. The results showed that substantial defect clusters were formed in the advanced multi-component rare earth oxide doped zirconia-yttria systems. The size of the oxide defect clusters and the cluster dopant segregation was typically ranging fiom 5 to 50 nm. These multi-component dopant induced defect clusters are an important factor for the coating long-term high temperature stability and excellent performance.

Mathematical model for the growth of phases in binary multiphase systems upon isothermic annealing

NASA Astrophysics Data System (ADS)

Molokhina, L. A.; Rogalin, V. E.; Filin, S. A.; Kaplunov, I. A.

2017-09-01

A phenomenological mathematical model of the formation and growth of phases in a binary multiphase system with allowance for factors influencing the process of diffusion in a binary system is presented. It is shown that phases can grow for a certain time at different ratios between diffusion parameters according to a parabolic law that depends on the duration of isothermic annealing. They then slow their growth after successor phases appear at their interface with one component and can completely disappear from a diffusion layer or begin to grow again, but only at a rate slower than during their initial formation. The dependence of the thickness of each phase layer in a multiphase diffusion zone on the duration of isothermic annealing and the ratio between the diffusion parameters in neighboring phases is obtained. It is established that a certain ratio between the phase growth and rates of dissolution with allowance for the coefficients of diffusion in each phase and the periods of incubation can result in the complete disappearance of one phase as early as the onset of the growth of phase nuclei and be interpreted as a process of reaction diffusion.

A generalized volumetric dispersion model for a class of two-phase separation/reaction: finite difference solutions

NASA Astrophysics Data System (ADS)

Siripatana, Chairat; Thongpan, Hathaikarn; Promraksa, Arwut

2017-03-01

This article explores a volumetric approach in formulating differential equations for a class of engineering flow problems involving component transfer within or between two phases. In contrast to conventional formulation which is based on linear velocities, this work proposed a slightly different approach based on volumetric flow-rate which is essentially constant in many industrial processes. In effect, many multi-dimensional flow problems found industrially can be simplified into multi-component or multi-phase but one-dimensional flow problems. The formulation is largely generic, covering counter-current, concurrent or batch, fixed and fluidized bed arrangement. It was also intended to use for start-up, shut-down, control and steady state simulation. Since many realistic and industrial operation are dynamic with variable velocity and porosity in relation to position, analytical solutions are rare and limited to only very simple cases. Thus we also provide a numerical solution using Crank-Nicolson finite difference scheme. This solution is inherently stable as tested against a few cases published in the literature. However, it is anticipated that, for unconfined flow or non-constant flow-rate, traditional formulation should be applied.

Fate of sessile droplet chemical agents in environmental substrates in the presence of physiochemical processes

NASA Astrophysics Data System (ADS)

Navaz, H. K.; Dang, A. L.; Atkinson, T.; Zand, A.; Nowakowski, A.; Kamensky, K.

2014-05-01

A general-purpose multi-phase and multi-component computer model capable of solving the complex problems encountered in the agent substrate interaction is developed. The model solves the transient and time-accurate mass and momentum governing equations in a three dimensional space. The provisions for considering all the inter-phase activities (solidification, evaporation, condensation, etc.) are included in the model. The chemical reactions among all phases are allowed and the products of the existing chemical reactions in all three phases are possible. The impact of chemical reaction products on the transport properties in porous media such as porosity, capillary pressure, and permeability is considered. Numerous validations for simulants, agents, and pesticides with laboratory and open air data are presented. Results for chemical reactions in the presence of pre-existing water in porous materials such as moisture, or separated agent and water droplets on porous substrates are presented. The model will greatly enhance the capabilities in predicting the level of threat after any chemical such as Toxic Industrial Chemicals (TICs) and Toxic Industrial Materials (TIMs) release on environmental substrates. The model's generality makes it suitable for both defense and pharmaceutical applications.

Field-Integrated Studies of Long-Term Sustainability of Chromium Bioreduction at Hanford 100H Site

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

Long, Philip E.

2006-06-01

The objectives of the project are to investigate coupled hydraulic, geochemical, and microbial conditions, and to determine the critical biogeochemical parameters necessary to maximize the extent of Cr(VI) bioreduction and minimize Cr(III) reoxidation in groundwater. Specific goals of the project are as follows: (1) Field testing and monitoring of Cr(VI) bioreduction in ground water and its transformation into insoluble species of Cr(III) at the Hanford 100H site, to develop the optimal strategy of water sampling for chemical, microbial, stable isotope analyses, and noninvasive geophysical monitoring; (2) Bench-scale flow and transport investigations using columns of undisturbed sediments to obtain diffusion andmore » kinetic parameters needed for the development of a numerical model, predictions of Cr(VI) bioreduction, and potential of Cr(III) reoxidation; and (3) Development of a multiphase, multi-component 3D reactive transport model and a code, TOUGHREACT-BIO, to predict coupled biogeochemical-hydrological processes associated with bioremediation, and to calibrate and validate the developed code based on the results of bench-scale and field-scale Cr(VI) biostimulation experiments in ground water at the Hanford Site.« less

PFLOTRAN: Reactive Flow & Transport Code for Use on Laptops to Leadership-Class Supercomputers

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

Hammond, Glenn E.; Lichtner, Peter C.; Lu, Chuan

PFLOTRAN, a next-generation reactive flow and transport code for modeling subsurface processes, has been designed from the ground up to run efficiently on machines ranging from leadership-class supercomputers to laptops. Based on an object-oriented design, the code is easily extensible to incorporate additional processes. It can interface seamlessly with Fortran 9X, C and C++ codes. Domain decomposition parallelism is employed, with the PETSc parallel framework used to manage parallel solvers, data structures and communication. Features of the code include a modular input file, implementation of high-performance I/O using parallel HDF5, ability to perform multiple realization simulations with multiple processors permore » realization in a seamless manner, and multiple modes for multiphase flow and multicomponent geochemical transport. Chemical reactions currently implemented in the code include homogeneous aqueous complexing reactions and heterogeneous mineral precipitation/dissolution, ion exchange, surface complexation and a multirate kinetic sorption model. PFLOTRAN has demonstrated petascale performance using 2{sup 17} processor cores with over 2 billion degrees of freedom. Accomplishments achieved to date include applications to the Hanford 300 Area and modeling CO{sub 2} sequestration in deep geologic formations.« less

Development of cost-effective surfactant flooding technology. Final report

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

Pope, G.A.; Sepehrnoori, K.

1996-11-01

Task 1 of this research was the development of a high-resolution, fully implicit, finite-difference, multiphase, multicomponent, compositional simulator for chemical flooding. The major physical phenomena modeled in this simulator are dispersion, heterogeneous permeability and porosity, adsorption, interfacial tension, relative permeability and capillary desaturation, compositional phase viscosity, compositional phase density and gravity effects, capillary pressure, and aqueous-oleic-microemulsion phase behavior. Polymer and its non-Newtonian rheology properties include shear-thinning viscosity, permeability reduction, inaccessible pore volume, and adsorption. Options of constant or variable space grids and time steps, constant-pressure or constant-rate well conditions, horizontal and vertical wells, and multiple slug injections are also availablemore » in the simulator. The solution scheme used in this simulator is fully implicit. The pressure equation and the mass-conservation equations are solved simultaneously for the aqueous-phase pressure and the total concentrations of each component. A third-order-in-space, second-order-in-time finite-difference method and a new total-variation-diminishing (TVD) third-order flux limiter are used that greatly reduce numerical dispersion effects. Task 2 was the optimization of surfactant flooding. The code UTCHEM was used to simulate surfactant polymer flooding.« less

Multiphase Modeling of Water Injection on Flame Deflector

NASA Technical Reports Server (NTRS)

Vu, Bruce T.; Bachchan, Nili; Peroomian, Oshin; Akdag, Vedat

2013-01-01

This paper describes the use of an Eulerian Dispersed Phase (EDP) model to simulate the water injected from the flame deflector and its interaction with supersonic rocket exhaust from a proposed Space Launch System (SLS) vehicle. The Eulerian formulation, as part of the multi-phase framework, is described. The simulations show that water cooling is only effective over the region under the liquid engines. Likewise, the water injection provides only minor effects over the surface area under the solid engines.

Multicomponent long-wave-short-wave resonance interaction system: Bright solitons, energy-sharing collisions, and resonant solitons.

PubMed

Sakkaravarthi, K; Kanna, T; Vijayajayanthi, M; Lakshmanan, M

2014-11-01

We consider a general multicomponent (2+1)-dimensional long-wave-short-wave resonance interaction (LSRI) system with arbitrary nonlinearity coefficients, which describes the nonlinear resonance interaction of multiple short waves with a long wave in two spatial dimensions. The general multicomponent LSRI system is shown to be integrable by performing the Painlevé analysis. Then we construct the exact bright multisoliton solutions by applying the Hirota's bilinearization method and study the propagation and collision dynamics of bright solitons in detail. Particularly, we investigate the head-on and overtaking collisions of bright solitons and explore two types of energy-sharing collisions as well as standard elastic collision. We have also corroborated the obtained analytical one-soliton solution by direct numerical simulation. Also, we discuss the formation and dynamics of resonant solitons. Interestingly, we demonstrate the formation of resonant solitons admitting breather-like (localized periodic pulse train) structure and also large amplitude localized structures akin to rogue waves coexisting with solitons. For completeness, we have also obtained dark one- and two-soliton solutions and studied their dynamics briefly.

Improved Cook-off Modeling of Multi-component Cast Explosives

NASA Astrophysics Data System (ADS)

Nichols, Albert

2017-06-01

In order to understand the hazards associated with energetic materials, it is important to understand their behavior in adverse thermal environments. These processes have been relatively well understood for solid explosives, however, the same cannot be said for multi-component melt-cast explosives. Here we describe the continued development of ALE3D, a coupled thermal/chemical/mechanical code, to improve its description of fluid explosives. The improved physics models include: 1) Chemical potential driven species segregation. This model allows us to model the complex flow fields associated with the melting and decomposing Comp-B, where the denser RDX tends to settle and the decomposing gasses rise, 2) Automatically scaled stream-wise diffusion model for thermal, species, and momentum diffusion. These models add sufficient numerical diffusion in the direction of flow to maintain numerical stability when the system is under resolved, as occurs for large systems. And 3) a slurry viscosity model, required to properly define the flow characteristics of the multi-component fluidized system. These models will be demonstrated on a simple Comp-B system. This work was performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344.

Thermodynamic approach to the stability of multi-phase systems. Application to the Y 2O 3–Fe system

DOE PAGES

Samolyuk, German D.; Osetskiy, Yury N.

2015-07-07

Oxide-metal systems (OMSs) are important in many practical applications, and therefore, are under extensive studies using a wide range of techniques. The most accurate theoretical approaches are based on density functional theory (DFT), which are limited to ~10 2 atoms. Multi-scale approaches, e.g., DFT+Monte Carlo, are often used to model OMSs at the atomic level. These approaches can describe qualitatively the kinetics of some processes but not the overall stability of OMSs. In this paper, we propose a thermodynamic approach to study equilibrium in multiphase systems, which can be sequentially enhanced by considering different defects and microstructures. We estimate themore » thermodynamic equilibrium by minimization the free energy of the whole multiphase system using a limited set of defects and microstructural objects for which the properties are calculated by DFT. As an example, we consider Y 2O 3+bcc Fe with vacancies in both the Y 2O 3 and bcc Fe phases, Y substitutions and O interstitials in Fe, Fe impurities and antisite defects in Y 2O 3. The output of these calculations is the thermal equilibrium concentration of all the defects for a particular temperature and composition. The results obtained confirmed the high temperature stability of yttria in iron. As a result, model development towards more accurate calculations is discussed.« less

Viscosity and surface tension effects during multiphase flow in propped fractures

NASA Astrophysics Data System (ADS)

Dzikowski, Michał; Dąbrowski, Marcin

2017-04-01

Geological sequestration of CO2 was proposed as an important mechanism to reduce its emission into atmosphere. CO2 exhibits a higher affinity to organic matter than methane molecules and, potentially, it could be pumped and stored in shale reservoirs while enhancing late stage shale gas production. A successful analysis of CO2 sequestration in low matrix permeability rocks such as shales requires a thorough understanding of multiphase flow in stimulated rock fractures, which provide most significant pathways for fluids in such systems. Multiphase fracture flows are also of great relevance to brine, oil and gas migration in petroleum systems, water and stream circulation in geothermal reservoirs, and chemical transport of non-aqueous phase liquids in shallow hydrogeological systems, particularly in partially saturated zones. There are various physical models that describe phenomena taking place during multiphase flow through porous media. One of key aspects that need to be considered are pore-scale effects related to capillarity. Unfortunately, detailed models that describe motion and evolution of phase or component boundary require direct numerical simulations and spatial resolutions that are hard to reach when considering industrial relevant systems. Main aim of the presented work was the development of reduced 2.5D models based on Brinkman approximation of thin domain flow that would be able to capture local scale phenomena without expensive 3D simulations. Presented approach was designed specifically to tackle incompressible and immiscible systems and is based on Continuous Surface Force approach presented by Brackbill et al., implemented using Lattice Boltzmann Method. Presented approach where firstly validated against standard test cases with known classical solution and known experimental data. In the second part, we present and discuss two component, immiscible permeability data for rough and propped fracture obtained with our code for a rage of proppants fraction, apertures and flow conditions.

Effect of Substrate Wetting on the Morphology and Dynamics of Phase Separating Multi-Component Mixture

NASA Astrophysics Data System (ADS)

Goyal, Abheeti; Toschi, Federico; van der Schoot, Paul

2017-11-01

We study the morphological evolution and dynamics of phase separation of multi-component mixture in thin film constrained by a substrate. Specifically, we have explored the surface-directed spinodal decomposition of multicomponent mixture numerically by Free Energy Lattice Boltzmann (LB) simulations. The distinguishing feature of this model over the Shan-Chen (SC) model is that we have explicit and independent control over the free energy functional and EoS of the system. This vastly expands the ambit of physical systems that can be realistically simulated by LB simulations. We investigate the effect of composition, film thickness and substrate wetting on the phase morphology and the mechanism of growth in the vicinity of the substrate. The phase morphology and averaged size in the vicinity of the substrate fluctuate greatly due to the wetting of the substrate in both the parallel and perpendicular directions. Additionally, we also describe how the model presented here can be extended to include an arbitrary number of fluid components.

Inline Measurement of Particle Concentrations in Multicomponent Suspensions using Ultrasonic Sensor and Least Squares Support Vector Machines.

PubMed

Zhan, Xiaobin; Jiang, Shulan; Yang, Yili; Liang, Jian; Shi, Tielin; Li, Xiwen

2015-09-18

This paper proposes an ultrasonic measurement system based on least squares support vector machines (LS-SVM) for inline measurement of particle concentrations in multicomponent suspensions. Firstly, the ultrasonic signals are analyzed and processed, and the optimal feature subset that contributes to the best model performance is selected based on the importance of features. Secondly, the LS-SVM model is tuned, trained and tested with different feature subsets to obtain the optimal model. In addition, a comparison is made between the partial least square (PLS) model and the LS-SVM model. Finally, the optimal LS-SVM model with the optimal feature subset is applied to inline measurement of particle concentrations in the mixing process. The results show that the proposed method is reliable and accurate for inline measuring the particle concentrations in multicomponent suspensions and the measurement accuracy is sufficiently high for industrial application. Furthermore, the proposed method is applicable to the modeling of the nonlinear system dynamically and provides a feasible way to monitor industrial processes.

The triel bond: a potential force for tuning anion-π interactions

NASA Astrophysics Data System (ADS)

Esrafili, Mehdi D.; Mousavian, Parisasadat

2018-02-01

Using ab-initio calculations, the mutual influence between anion-π and B···N or B···C triel bond interactions is investigated in some model complexes. The properties of these complexes are studied by molecular electrostatic potential, noncovalent interaction index, quantum theory of atoms in molecules (QTAIM) and natural bond orbital (NBO) analyses. According to the results, the formation of B···N or B···C triel bond interactions in the multi-component systems makes a significant shortening of anion-π distance. Such remarkable variation in the anion-π distances has not been reported previously. The strengthening of the anion-π bonding in the multi-component systems depend significantly on the nature of the anion, and it becomes larger in the order Br- > Cl- > F-. The parameters derived from the QTAIM and NBO methodologies are used to study the mechanism of the cooperativity between the anion-π and triel bond interactions in the multi-component complexes.

Pharmaceutical cocrystals, salts and multicomponent systems; intermolecular interactions and property based design.

PubMed

Berry, David J; Steed, Jonathan W

2017-08-01

As small molecule drugs become harder to develop and less cost effective for patient use, efficient strategies for their property improvement become increasingly important to global health initiatives. Improvements in the physical properties of Active Pharmaceutical Ingredients (APIs), without changes in the covalent chemistry, have long been possible through the application of binary component solids. This was first achieved through the use of pharmaceutical salts, within the last 10-15years with cocrystals and more recently coamorphous systems have also been consciously applied to this problem. In order to rationally discover the best multicomponent phase for drug development, intermolecular interactions need to be considered at all stages of the process. This review highlights the current thinking in this area and the state of the art in: pharmaceutical multicomponent phase design, the intermolecular interactions in these phases, the implications of these interactions on the material properties and the pharmacokinetics in a patient. Copyright © 2017 Elsevier B.V. All rights reserved.

On approaches to analyze the sensitivity of simulated hydrologic fluxes to model parameters in the community land model

DOE PAGES

Bao, Jie; Hou, Zhangshuan; Huang, Maoyi; ...

2015-12-04

Here, effective sensitivity analysis approaches are needed to identify important parameters or factors and their uncertainties in complex Earth system models composed of multi-phase multi-component phenomena and multiple biogeophysical-biogeochemical processes. In this study, the impacts of 10 hydrologic parameters in the Community Land Model on simulations of runoff and latent heat flux are evaluated using data from a watershed. Different metrics, including residual statistics, the Nash-Sutcliffe coefficient, and log mean square error, are used as alternative measures of the deviations between the simulated and field observed values. Four sensitivity analysis (SA) approaches, including analysis of variance based on the generalizedmore » linear model, generalized cross validation based on the multivariate adaptive regression splines model, standardized regression coefficients based on a linear regression model, and analysis of variance based on support vector machine, are investigated. Results suggest that these approaches show consistent measurement of the impacts of major hydrologic parameters on response variables, but with differences in the relative contributions, particularly for the secondary parameters. The convergence behaviors of the SA with respect to the number of sampling points are also examined with different combinations of input parameter sets and output response variables and their alternative metrics. This study helps identify the optimal SA approach, provides guidance for the calibration of the Community Land Model parameters to improve the model simulations of land surface fluxes, and approximates the magnitudes to be adjusted in the parameter values during parametric model optimization.« less

Tuning excitation laser wavelength for secondary resonance in low-intensity phase-selective laser-induced breakdown spectroscopy for in-situ analytical measurement of nanoaerosols

NASA Astrophysics Data System (ADS)

Xiong, Gang; Li, Shuiqing; Tse, Stephen D.

2018-02-01

In recent years, a novel low-intensity phase-selective laser-induced breakdown spectroscopy (PS-LIBS) technique has been developed for unique elemental-composition identification of aerosolized nanoparticles, where only the solid-phase nanoparticles break down, forming nanoplasmas, without any surrounding gas-phase breakdown. Additional work has demonstrated that PS-LIBS emissions can be greatly enhanced with secondary resonant excitation by matching the excitation laser wavelength with an atomic transition line in the formed nanoplasma, thereby achieving low limits of detection. In this work, a tunable dye laser is employed to investigate the effects of excitation wavelength and irradiance on in-situ PS-LIBS measurements of TiO2 nanoaerosols. The enhancement factor by resonant excitation can be 220 times greater than that for non-resonant cases under similar conditions. Moreover, the emitted spectra are unique for the selected resonant transition lines for a given element, suggesting the potential to make precise phase-selective and analyte-selective measurements of nanoparticles in a multicomponent multiphase system. The enhancement factor by resonant excitation is highly sensitive to excitation laser wavelength, with narrow excitation spectral windows, i.e., 0.012 to 0.023 nm (FWHM, full width at half maximum) for Ti (I) neutral atomic lines, and 0.051 to 0.139 nm (FWHM) for Ti (II) single-ionized atomic lines. Boltzmann analysis of the emission intensities, temporal response of emissions, and emission dependence on excitation irradiance are investigated to understand aspects of the generated nanoplasmas such as temperature, local thermodynamic equilibrium (LTE), and excitation mechanism.

Multiphase wavetrains, singular wave interactions and the emergence of the Korteweg–de Vries equation

PubMed Central

Bridges, Thomas J.

2016-01-01

Multiphase wavetrains are multiperiodic travelling waves with a set of distinct wavenumbers and distinct frequencies. In conservative systems, such families are associated with the conservation of wave action or other conservation law. At generic points (where the Jacobian of the wave action flux is non-degenerate), modulation of the wavetrain leads to the dispersionless multiphase conservation of wave action. The main result of this paper is that modulation of the multiphase wavetrain, when the Jacobian of the wave action flux vector is singular, morphs the vector-valued conservation law into the scalar Korteweg–de Vries (KdV) equation. The coefficients in the emergent KdV equation have a geometrical interpretation in terms of projection of the vector components of the conservation law. The theory herein is restricted to two phases to simplify presentation, with extensions to any finite dimension discussed in the concluding remarks. Two applications of the theory are presented: a coupled nonlinear Schrödinger equation and two-layer shallow-water hydrodynamics with a free surface. Both have two-phase solutions where criticality and the properties of the emergent KdV equation can be determined analytically. PMID:28119546

Influence of condensed species on thermo-physical properties of LTE and non-LTE SF6-Cu mixture

NASA Astrophysics Data System (ADS)

Chen, Zhexin; Wu, Yi; Yang, Fei; Sun, Hao; Rong, Mingzhe; Wang, Chunlin

2017-10-01

SF6-Cu mixture is frequently formed in high-voltage circuit breakers due to the electrode erosion and metal vapor diffusion. During the interruption process, the multiphase effect and deviation from local thermal equilibrium (non-LTE assumption) can both affect the thermo-physical of the arc plasma and further influence the performance of circuit breaker. In this paper, thermo-physical properties, namely composition, thermodynamic properties and transport coefficients are calculated for multiphase SF6-Cu mixture with and without LTE assumption. The composition is confirmed by combining classical two-temperature mass action law with phase equilibrium condition deduced from second law of thermodynamics. The thermodynamic properties and transport coefficients are calculated using the multiphase composition result. The influence of condensed species on thermo-physical properties is discussed at different temperature, pressure (0.1-10 atm), non-equilibrium degrees (1-10), and copper molar proportions (0-50%). It is found that the multiphase effect has significant influence on specific enthalpy, specific heat and heavy species thermal conductivity in both LTE and non-LTE SF6-Cu system. This paper provides a more accurate database for computational fluid dynamic calculation.

Towards an avatar for deciphering the modes of three-phase interactions in lava lakes

NASA Astrophysics Data System (ADS)

Suckale, J.; Qin, Z.; Culha, C.; Lev, E.

2016-12-01

An avatar is the virtual representation of a character, system or idea. Here, we present progress towards building a numerical avatar for lava lakes that allows us to constrain the modes of multiphase interactions between crystals, gas, and magmatic fluid in the interior of lava lakes. We focus on lava lakes, because they expose the free surface of magma to direct observations. They hence offer a unique window into different regimes of the three-phase flow dynamics of crystals, gases, and melts in magmatic convection more generally. The multiphase interactions between crystals, gases and melt give rise to nonlinear and unstable behavior in magmatic systems and are hence key for understanding the behavior of the bulk magma, but are notoriously difficult to capture in numerical models. Our avatar approach solves the full set of governing equations entailing the momentum, mass, and energy balance for each of the three phases at the scale of individual crystals or bubble interfaces. It hence obviates the need for simplifying assumptions regarding the individual behavior of the three phases or their mutual coupling to achieve a minimally preconditioned virtual representation of a lava lake. To identify the multi-phase regime at depth, we compute the observational signatures of different multiphase regimes, both in terms of surface velocity and temperature distribution, and compare the computed synthetic data to observational surface data for lava lakes. We focus specifically on the lava lake dynamics at Mount Erebus, Antarctica, and Kīlauea, Hawai'i. These two lava lakes are particularly well observed, which presents a compelling opportunity for closely linking modeling and observations. The also exhibit notably different circulation patterns. We hypothesize that Erebus and Kīlauea highlight different mechanisms through which multiphase interactions alter magmatic convection and eruptive behavior in basaltic systems. We suggest that volumetric flow effects like bubble dynamics and spatially heterogeneous crystal retention may dominate the behavior at Erebus and that surface effects resulting primarily from the formation of a cool skin on top of the lake govern the dynamics observed at Kīlauea.

Design of a Digital-Based, Multicomponent Nutrition Guidance System for Prevention of Early Childhood Obesity

PubMed Central

Black, Maureen M.; Saavedra, Jose M.

2016-01-01

Interventions targeting parenting focused modifiable factors to prevent obesity and promote healthy growth in the first 1000 days of life are needed. Scale-up of interventions to global populations is necessary to reverse trends in weight status among infants and toddlers, and large scale dissemination will require understanding of effective strategies. Utilizing nutrition education theories, this paper describes the design of a digital-based nutrition guidance system targeted to first-time mothers to prevent obesity during the first two years. The multicomponent system consists of scientifically substantiated content, tools, and telephone-based professional support delivered in an anticipatory and sequential manner via the internet, email, and text messages, focusing on educational modules addressing the modifiable factors associated with childhood obesity. Digital delivery formats leverage consumer media trends and provide the opportunity for scale-up, unavailable to previous interventions reliant on resource heavy clinic and home-based counseling. Designed initially for use in the United States, this system's core features are applicable to all contexts and constitute an approach fostering healthy growth, not just obesity prevention. The multicomponent features, combined with a global concern for optimal growth and positive trends in mobile internet use, represent this system's future potential to affect change in nutrition practice in developing countries. PMID:27635257

Thermodynamic Modelling of Phase Transformation in a Multi-Component System

NASA Astrophysics Data System (ADS)

Vala, J.

2007-09-01

Diffusion in multi-component alloys can be characterized by the vacancy mechanism for substitutional components, by the existence of sources and sinks for vacancies and by the motion of atoms of interstitial components. The description of diffusive and massive phase transformation of a multi-component system is based on the thermodynamic extremal principle by Onsager; the finite thickness of the interface between both phases is respected. The resulting system of partial differential equations of evolution with integral terms for unknown mole fractions (and additional variables in case of non-ideal sources and sinks for vacancies), can be analyzed using the method of lines and the finite difference technique (or, alternatively, the finite element one) together with the semi-analytic and numerical integration formulae and with certain iteration procedure, making use of the spectral properties of linear operators. The original software code for the numerical evaluation of solutions of such systems, written in MATLAB, offers a chance to simulate various real processes of diffusional phase transformation. Some results for the (nearly) steady-state real processes in substitutional alloys have been published yet. The aim of this paper is to demonstrate that the same approach can handle both substitutional and interstitial components even in case of a general system of evolution.

A review of solid-fluid selection options for optical-based measurements in single-phase liquid, two-phase liquid-liquid and multiphase solid-liquid flows

NASA Astrophysics Data System (ADS)

Wright, Stuart F.; Zadrazil, Ivan; Markides, Christos N.

2017-09-01

Experimental techniques based on optical measurement principles have experienced significant growth in recent decades. They are able to provide detailed information with high-spatiotemporal resolution on important scalar (e.g., temperature, concentration, and phase) and vector (e.g., velocity) fields in single-phase or multiphase flows, as well as interfacial characteristics in the latter, which has been instrumental to step-changes in our fundamental understanding of these flows, and the development and validation of advanced models with ever-improving predictive accuracy and reliability. Relevant techniques rely upon well-established optical methods such as direct photography, laser-induced fluorescence, laser Doppler velocimetry/phase Doppler anemometry, particle image/tracking velocimetry, and variants thereof. The accuracy of the resulting data depends on numerous factors including, importantly, the refractive indices of the solids and liquids used. The best results are obtained when the observational materials have closely matched refractive indices, including test-section walls, liquid phases, and any suspended particles. This paper reviews solid-liquid and solid-liquid-liquid refractive-index-matched systems employed in different fields, e.g., multiphase flows, turbomachinery, bio-fluid flows, with an emphasis on liquid-liquid systems. The refractive indices of various aqueous and organic phases found in the literature span the range 1.330-1.620 and 1.251-1.637, respectively, allowing the identification of appropriate combinations to match selected transparent or translucent plastics/polymers, glasses, or custom materials in single-phase liquid or multiphase liquid-liquid flow systems. In addition, the refractive indices of fluids can be further tuned with the use of additives, which also allows for the matching of important flow similarity parameters such as density and viscosity.

Quantum Approximate Methods for the Atomistic Modeling of Multicomponent Alloys. Chapter 7

NASA Technical Reports Server (NTRS)

Bozzolo, Guillermo; Garces, Jorge; Mosca, Hugo; Gargano, pablo; Noebe, Ronald D.; Abel, Phillip

2007-01-01

This chapter describes the role of quantum approximate methods in the understanding of complex multicomponent alloys at the atomic level. The need to accelerate materials design programs based on economical and efficient modeling techniques provides the framework for the introduction of approximations and simplifications in otherwise rigorous theoretical schemes. As a promising example of the role that such approximate methods might have in the development of complex systems, the BFS method for alloys is presented and applied to Ru-rich Ni-base superalloys and also to the NiAI(Ti,Cu) system, highlighting the benefits that can be obtained from introducing simple modeling techniques to the investigation of such complex systems.

A new method for multicomponent activity coefficients of electrolytes in aqueous atmospheric aerosols

NASA Astrophysics Data System (ADS)

Zaveri, Rahul A.; Easter, Richard C.; Wexler, Anthony S.

2005-01-01

Three-dimensional models of atmospheric inorganic aerosols need accurate and computationally efficient parameterizations of activity coefficients of various electrolytes in multicomponent aqueous solutions. In this paper, we extend the Taylor's series expansion mixing rule used by C. Wagner in 1952 for estimating activity coefficients in dilute alloy solutions to aqueous electrolyte solutions at any concentration. The resulting method, called the multicomponent Taylor expansion method (MTEM), estimates the mean activity coefficient of an electrolyte in a multicomponent solution on the basis of its values in binary solutions of all the electrolytes present in the mixture at the solution water activity aw, assuming aw is equal to the ambient relative humidity. MTEM is applied here for atmospheric aerosol systems containing H+, NH4+, Na+, Ca2+, SO42-, HSO4-, NO3-, and Cl- ions. The aerosol water content is calculated using the Zdanovskii-Stokes-Robinson (ZSR) method. For self-consistency, most of the MTEM and ZSR parameters are derived using the comprehensive Pitzer-Simonson-Clegg model at 298.15 K and are valid for an aw range of 0.2-0.97. Because CaSO4 is sparingly soluble, it is treated as a solid in the model over the entire aw range. MTEM is evaluated for several multicomponent systems representing various continental and marine aerosols and is contrasted against the mixing rule of C. L. Kusik and H. P. Meissner and of L. A. Bromley and the newer approach of S. Metzger and colleagues. Predictions of MTEM are found to be generally within a factor of 0.8-1.25 of the comprehensive Pitzer-Simonson-Clegg model and are shown to be significantly more accurate than predictions of the other three methods. MTEM also yields a noniterative solution of the bisulfate ion dissociation in sulfate-rich systems: a major computational advantage over other ionic-strength-based methods that require an iterative solution. CPU time requirements of MTEM relative to other methods for sulfate-poor and sulfate-rich systems are also discussed.

Multi-Phase Equilibrium and Solubilities of Aromatic Compounds and Inorganic Compounds in Sub- and Supercritical Water: A Review.

PubMed

Liu, Qinli; Ding, Xin; Du, Bowen; Fang, Tao

2017-11-02

Supercritical water oxidation (SCWO), as a novel and efficient technology, has been applied to wastewater treatment processes. The use of phase equilibrium data to optimize process parameters can offer a theoretical guidance for designing SCWO processes and reducing the equipment and operating costs. In this work, high-pressure phase equilibrium data for aromatic compounds+water systems and inorganic compounds+water systems are given. Moreover, thermodynamic models, equations of state (EOS) and empirical and semi-empirical approaches are summarized and evaluated. This paper also lists the existing problems of multi-phase equilibria and solubility studies on aromatic compounds and inorganic compounds in sub- and supercritical water.

Basic Research Needs for Geosciences: Facilitating 21st Century Energy Systems

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

DePaolo, D. J.; Orr, F. M.; Benson, S. M.

2007-06-01

To identify research areas in geosciences, such as behavior of multiphase fluid-solid systems on a variety of scales, chemical migration processes in geologic media, characterization of geologic systems, and modeling and simulation of geologic systems, needed for improved energy systems.

Simulating anomalous transport and multiphase segregation in porous media with the Lattice Boltzmann Method

NASA Astrophysics Data System (ADS)

Matin, Rastin; Hernandez, Anier; Misztal, Marek; Mathiesen, Joachim

2015-04-01

Many hydrodynamic phenomena ranging from flows at micron scale in porous media, large Reynolds numbers flows, non-Newtonian and multiphase flows have been simulated on computers using the lattice Boltzmann (LB) method. By solving the Lattice Boltzmann Equation on unstructured meshes in three dimensions, we have developed methods to efficiently model the fluid flow in real rock samples. We use this model to study the spatio-temporal statistics of the velocity field inside three-dimensional real geometries and investigate its relation to the, in general, anomalous transport of passive tracers for a wide range of Peclet and Reynolds numbers. We extend this model by free-energy based method, which allows us to simulate binary systems with large-density ratios in a thermodynamically consistent way and track the interface explicitly. In this presentation we will present our recent results on both anomalous transport and multiphase segregation.

Sampling device for withdrawing a representative sample from single and multi-phase flows

DOEpatents

Apley, Walter J.; Cliff, William C.; Creer, James M.

1984-01-01

A fluid stream sampling device has been developed for the purpose of obtaining a representative sample from a single or multi-phase fluid flow. This objective is carried out by means of a probe which may be inserted into the fluid stream. Individual samples are withdrawn from the fluid flow by sampling ports with particular spacings, and the sampling parts are coupled to various analytical systems for characterization of the physical, thermal, and chemical properties of the fluid flow as a whole and also individually.

Self-healing multiphase polymers via dynamic metal-ligand interactions.

PubMed

Mozhdehi, Davoud; Ayala, Sergio; Cromwell, Olivia R; Guan, Zhibin

2014-11-19

A new self-healing multiphase polymer is developed in which a pervasive network of dynamic metal-ligand (zinc-imidazole) interactions are programmed in the soft matrix of a hard/soft two-phase brush copolymer system. The mechanical and dynamic properties of the materials can be tuned by varying a number of molecular parameters (e.g., backbone/brush degree of polymerization and brush density) as well as the ligand/metal ratio. Following mechanical damage, these thermoplastic elastomers show excellent self-healing ability under ambient conditions without any intervention.

Research in Support of the Use of Rankine Cycle Energy Conversion Systems for Space Power and Propulsion

NASA Technical Reports Server (NTRS)

Lahey, Richard T., Jr.; Dhir, Vijay

2004-01-01

This is the report of a Scientific Working Group (SWG) formed by NASA to determine the feasibility of using a liquid metal cooled nuclear reactor and Rankine energy conversion cycle for dual purpose power and propulsion in space. This is a high level technical report which is intended for use by NASA management in program planning. The SWG was composed of a team of specialists in nuclear energy and multiphase flow and heat transfer technology from academia, national laboratories, NASA and industry. The SWG has identified the key technology issues that need to be addressed and have recommended an integrated short term (approx. 2 years) and a long term (approx. 10 year) research and development (R&D) program to qualify a Rankine cycle power plant for use in space. This research is ultimately intended to give NASA and its contractors the ability to reliably predict both steady and transient multiphase flow and heat transfer phenomena at reduced gravity, so they can analyze and optimize designs and scale-up experimental data on Rankine cycle components and systems. In addition, some of these results should also be useful for the analysis and design of various multiphase life support and thermal management systems being considered by NASA.

Development of a Reduced-Order Model for Reacting Gas-Solids Flow using Proper Orthogonal Decomposition

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

McDaniel, Dwayne; Dulikravich, George; Cizmas, Paul

2017-11-27

This report summarizes the objectives, tasks and accomplishments made during the three year duration of this research project. The report presents the results obtained by applying advanced computational techniques to develop reduced-order models (ROMs) in the case of reacting multiphase flows based on high fidelity numerical simulation of gas-solids flow structures in risers and vertical columns obtained by the Multiphase Flow with Interphase eXchanges (MFIX) software. The research includes a numerical investigation of reacting and non-reacting gas-solids flow systems and computational analysis that will involve model development to accelerate the scale-up process for the design of fluidization systems by providingmore » accurate solutions that match the full-scale models. The computational work contributes to the development of a methodology for obtaining ROMs that is applicable to the system of gas-solid flows. Finally, the validity of the developed ROMs is evaluated by comparing the results against those obtained using the MFIX code. Additionally, the robustness of existing POD-based ROMs for multiphase flows is improved by avoiding non-physical solutions of the gas void fraction and ensuring that the reduced kinetics models used for reactive flows in fluidized beds are thermodynamically consistent.« less

Analysis of three-phase equilibrium conditions for methane hydrate by isometric-isothermal molecular dynamics simulations.

PubMed

Yuhara, Daisuke; Brumby, Paul E; Wu, David T; Sum, Amadeu K; Yasuoka, Kenji

2018-05-14

To develop prediction methods of three-phase equilibrium (coexistence) conditions of methane hydrate by molecular simulations, we examined the use of NVT (isometric-isothermal) molecular dynamics (MD) simulations. NVT MD simulations of coexisting solid hydrate, liquid water, and vapor methane phases were performed at four different temperatures, namely, 285, 290, 295, and 300 K. NVT simulations do not require complex pressure control schemes in multi-phase systems, and the growth or dissociation of the hydrate phase can lead to significant pressure changes in the approach toward equilibrium conditions. We found that the calculated equilibrium pressures tended to be higher than those reported by previous NPT (isobaric-isothermal) simulation studies using the same water model. The deviations of equilibrium conditions from previous simulation studies are mainly attributable to the employed calculation methods of pressure and Lennard-Jones interactions. We monitored the pressure in the methane phase, far from the interfaces with other phases, and confirmed that it was higher than the total pressure of the system calculated by previous studies. This fact clearly highlights the difficulties associated with the pressure calculation and control for multi-phase systems. The treatment of Lennard-Jones interactions without tail corrections in MD simulations also contributes to the overestimation of equilibrium pressure. Although improvements are still required to obtain accurate equilibrium conditions, NVT MD simulations exhibit potential for the prediction of equilibrium conditions of multi-phase systems.

Analysis of three-phase equilibrium conditions for methane hydrate by isometric-isothermal molecular dynamics simulations

NASA Astrophysics Data System (ADS)

Yuhara, Daisuke; Brumby, Paul E.; Wu, David T.; Sum, Amadeu K.; Yasuoka, Kenji

2018-05-01

To develop prediction methods of three-phase equilibrium (coexistence) conditions of methane hydrate by molecular simulations, we examined the use of NVT (isometric-isothermal) molecular dynamics (MD) simulations. NVT MD simulations of coexisting solid hydrate, liquid water, and vapor methane phases were performed at four different temperatures, namely, 285, 290, 295, and 300 K. NVT simulations do not require complex pressure control schemes in multi-phase systems, and the growth or dissociation of the hydrate phase can lead to significant pressure changes in the approach toward equilibrium conditions. We found that the calculated equilibrium pressures tended to be higher than those reported by previous NPT (isobaric-isothermal) simulation studies using the same water model. The deviations of equilibrium conditions from previous simulation studies are mainly attributable to the employed calculation methods of pressure and Lennard-Jones interactions. We monitored the pressure in the methane phase, far from the interfaces with other phases, and confirmed that it was higher than the total pressure of the system calculated by previous studies. This fact clearly highlights the difficulties associated with the pressure calculation and control for multi-phase systems. The treatment of Lennard-Jones interactions without tail corrections in MD simulations also contributes to the overestimation of equilibrium pressure. Although improvements are still required to obtain accurate equilibrium conditions, NVT MD simulations exhibit potential for the prediction of equilibrium conditions of multi-phase systems.

Rochester area bike sharing program study.

DOT National Transportation Integrated Search

2015-03-01

The Genesee Transportation Council (GTC) commissioned this study to explore the feasibility of implementing a bike share : system throughout Rochester and the surrounding area. The report recommends a multi-phase bike share system consisting of a : f...

Developing Mathematical Provisions for Assessment of Liquid Hydrocarbon Emissions in Emergency Situations

NASA Astrophysics Data System (ADS)

Zemenkova, M. Yu; Zemenkov, Yu D.; Shantarin, V. D.

2016-10-01

The paper reviews the development of methodology for calculation of hydrocarbon emissions during seepage and evaporation to monitor the reliability and safety of hydrocarbon storage and transportation. The authors have analyzed existing methods, models and techniques for assessing the amount of evaporated oil. Models used for predicting the material balance of multicomponent two-phase systems have been discussed. The results of modeling the open-air hydrocarbon evaporation from an oil spill are provided and exemplified by an emergency pit. Dependences and systems of differential equations have been obtained to assess parameters of mass transfer from the open surface of a liquid multicomponent mixture.

First-order curvature corrections to the surface tension of multicomponent systems.

PubMed

Boltachev, Grey Sh; Baidakov, Vladimir G; Schmelzer, Jürn W P

2003-08-01

The dependence of surface tension on curvature is investigated for the case of an equilibrium phase coexistence in multicomponent systems. Employing Gibbs's method of description of heterogeneous systems, an equation is derived to determine the dependence of surface tension on curvature for widely arbitrary paths of variation of the independent thermodynamic parameters. It is supposed hereby merely that the temperature is kept constant and that the variations of the different molar fractions are such that the radius of the dividing surface varies monotonically in dependence on the change of the state parameters of the ambient phase along any of the chosen paths. In the analysis, an approach developed by Blokhuis and Bedeaux for one-component systems is utilized. It relies on the expansion of the surface free energy on curvature of the dividing surface. An equation is derived that connects the first-order correction term in the expansion with the interaction potential of the particles in the multicomponent solution and with the two-particle distribution functions in the planar interfacial layer between the two phases coexisting in equilibrium at planar interfaces. The connection of the first-order curvature correction to the surface tension and the first moment of the pressure tensor at a planar interface is analyzed as well.

Integrable multi-component generalization of a modified short pulse equation

NASA Astrophysics Data System (ADS)

Matsuno, Yoshimasa

2016-11-01

We propose a multi-component generalization of the modified short pulse (SP) equation which was derived recently as a reduction of Feng's two-component SP equation. Above all, we address the two-component system in depth. We obtain the Lax pair, an infinite number of conservation laws and multisoliton solutions for the system, demonstrating its integrability. Subsequently, we show that the two-component system exhibits cusp solitons and breathers for which the detailed analysis is performed. Specifically, we explore the interaction process of two cusp solitons and derive the formula for the phase shift. While cusp solitons are singular solutions, smooth breather solutions are shown to exist, provided that the parameters characterizing the solutions satisfy certain conditions. Last, we discuss the relation between the proposed system and existing two-component SP equations.

The Madden-Julian Oscillation in the NCAR Community Earth System Model Coupled Data Assimilation System

NASA Astrophysics Data System (ADS)

Chatterjee, A.; Anderson, J. L.; Moncrieff, M.; Collins, N.; Danabasoglu, G.; Hoar, T.; Karspeck, A. R.; Neale, R. B.; Raeder, K.; Tribbia, J. J.

2014-12-01

We present a quantitative evaluation of the simulated MJO in analyses produced with a coupled data assimilation (CDA) framework developed at the National Center for Atmosphere Research. This system is based on the Community Earth System Model (CESM; previously known as the Community Climate System Model -CCSM) interfaced to a community facility for ensemble data assimilation (Data Assimilation Research Testbed - DART). The system (multi-component CDA) assimilates data into each of the respective ocean/atmosphere/land model components during the assimilation step followed by an exchange of information between the model components during the forecast step. Note that this is an advancement over many existing prototypes of coupled data assimilation systems, which typically assimilate observations only in one of the model components (i.e., single-component CDA). The more realistic treatment of air-sea interactions and improvements to the model mean state in the multi-component CDA recover many aspects of MJO representation, from its space-time structure and propagation (see Figure 1) to the governing relationships between precipitation and sea surface temperature on intra-seasonal scales. Standard qualitative and process-based diagnostics identified by the MJO Task Force (currently under the auspices of the Working Group on Numerical Experimentation) have been used to detect the MJO signals across a suite of coupled model experiments involving both multi-component and single-component DA experiments as well as a free run of the coupled CESM model (i.e., CMIP5 style without data assimilation). Short predictability experiments during the boreal winter are used to demonstrate that the decay rates of the MJO convective anomalies are slower in the multi-component CDA system, which allows it to retain the MJO dynamics for a longer period. We anticipate that the knowledge gained through this study will enhance our understanding of the MJO feedback mechanisms across the air-sea interface, especially regarding ocean impacts on the MJO as well as highlight the capability of coupled data assimilation systems for related tropical intraseasonal variability predictions.

Thermodynamics and Phase Behavior of Miscible Polymer Blends in the Presence of Supercritical Carbon Dioxide

NASA Astrophysics Data System (ADS)

Young, Nicholas Philip

The design of environmentally-benign polymer processing techniques is an area of growing interest, motivated by the desire to reduce the emission of volatile organic compounds. Recently, supercritical carbon dioxide (scCO 2) has gained traction as a viable candidate to process polymers both as a solvent and diluent. The focus of this work was to elucidate the nature of the interactions between scCO2 and polymers in order to provide rational insight into the molecular interactions which result in the unexpected mixing thermodynamics in one such system. The work also provides insight into the nature of pairwise thermodynamic interactions in multicomponent polymer-polymer-diluent blends, and the effect of these interactions on the phase behavior of the mixture. In order to quantify the strength of interactions in the multicomponent system, the binary mixtures were characterized individually in addition to the ternary blend. Quantitative analysis of was made tractable through the use of a model miscible polymer blend containing styrene-acrylonitrile copolymer (SAN) and poly(methyl methacrylate) (dPMMA), a mixture which has been considered for a variety of practical applications. In the case of both individual polymers, scCO2 is known to behave as a diluent, wherein the extent of polymer swelling depends on both temperature and pressure. The solubility of scCO 2 in each polymer as a function of temperature and pressure was characterized elsewhere. The SAN-dPMMA blend clearly exhibited lower critical solution temperature behavior, forming homogeneous mixtures at low temperatures and phase separating at elevated temperature. These measurements allowed the determination of the Flory-Huggins interaction parameter chi23 for SAN (species 2) and dPMMA (species 3) as a function of temperature at ambient pressure, in the absence of scCO2 (species 1). Characterization of the phase behavior of the multicomponent (ternary) mixture was also carried out by SANS. An in situ SANS environment was developed to allow measurement of blend miscibility in the presence of scCO2. The pressure-temperature phase behavior of the system could be mapped by approaching the point of phase separation by spinodal decomposition through pressure increases at constant temperature. For a roughly symmetric mixture of SAN and dPMMA, the temperature at which phase separation occurred could be decreased by over 125 °C. The extent to which the phase behavior of the multicomponent system could be tuned motivated further investigation into the interactions present within the homogeneous mixtures. Analysis of the SANS results for homogeneous mixtures was undertaken using a new multicomponent formalism of the random phase approximation theory. The scattering profiles obtained from the scCO2-SAN-dPMMA system could be predicted with reasonable success. The success of the theoretical predictions was facilitated by directly employing the interactions found in the binary experiments. Exploitation of the condition of homogeneity with respect to chemical potential allowed determination of interaction parameters for scCO2-SAN and 2-dPMMA within the multicomponent mixture (chi12 and chi13, respectively). Studying this system over a large range of the supercritical regime yielded insight on the nature of interactions in the system. Near the critical point of scCO 2, chi12 and chi13 increase monotonically as a function of pressure. Conversely, at elevated temperature away from the critical point, the interaction parameters are found to go through a minimum as a pressure increases. Analysis of the critical phenomenon associated with scCO2 suggests that the observed dependence of chi12 and chi13 on pressure are related to the magnitude of scCO 2 density fluctuations and the proximity of the system to the so-called density fluctuation ridge. By tuning the system parameters of the multicomponent mixture, the phase behavior can be altered through the balance of pairwise interactions been the constituent species. The presence of scCO2 in the mixtures appears to eliminate the existence of the metastable state that epitomizes most polymer-polymer mixtures. Thus it is shown that knowledge of the individual pairwise interactions in such multicomponent mixtures can greatly influence the resulting phase behavior, and provide insight into the design of improved functional materials with decreased environmental impacts.

Multiphasic Health Testing in the Clinic Setting

PubMed Central

LaDou, Joseph

1971-01-01

The economy of automated multiphasic health testing (amht) activities patterned after the high-volume Kaiser program can be realized in low-volume settings. amht units have been operated at daily volumes of 20 patients in three separate clinical environments. These programs have displayed economics entirely compatible with cost figures published by the established high-volume centers. This experience, plus the expanding capability of small, general purpose, digital computers (minicomputers) indicates that a group of six or more physicians generating 20 laboratory appraisals per day can economically justify a completely automated multiphasic health testing facility. This system would reside in the clinic or hospital where it is used and can be configured to do analyses such as electrocardiography and generate laboratory reports, and communicate with large computer systems in university medical centers. Experience indicates that the most effective means of implementing these benefits of automation is to make them directly available to the medical community with the physician playing the central role. Economic justification of a dedicated computer through low-volume health testing then allows, as a side benefit, automation of administrative as well as other diagnostic activities—for example, patient billing, computer-aided diagnosis, and computer-aided therapeutics. PMID:4935771

A novel heterogeneous algorithm to simulate multiphase flow in porous media on multicore CPU-GPU systems

NASA Astrophysics Data System (ADS)

McClure, J. E.; Prins, J. F.; Miller, C. T.

2014-07-01

Multiphase flow implementations of the lattice Boltzmann method (LBM) are widely applied to the study of porous medium systems. In this work, we construct a new variant of the popular "color" LBM for two-phase flow in which a three-dimensional, 19-velocity (D3Q19) lattice is used to compute the momentum transport solution while a three-dimensional, seven velocity (D3Q7) lattice is used to compute the mass transport solution. Based on this formulation, we implement a novel heterogeneous GPU-accelerated algorithm in which the mass transport solution is computed by multiple shared memory CPU cores programmed using OpenMP while a concurrent solution of the momentum transport is performed using a GPU. The heterogeneous solution is demonstrated to provide speedup of 2.6 × as compared to multi-core CPU solution and 1.8 × compared to GPU solution due to concurrent utilization of both CPU and GPU bandwidths. Furthermore, we verify that the proposed formulation provides an accurate physical representation of multiphase flow processes and demonstrate that the approach can be applied to perform heterogeneous simulations of two-phase flow in porous media using a typical GPU-accelerated workstation.

Oscillatory multiphase flow strategy for chemistry and biology.

PubMed

Abolhasani, Milad; Jensen, Klavs F

2016-07-19

Continuous multiphase flow strategies are commonly employed for high-throughput parameter screening of physical, chemical, and biological processes as well as continuous preparation of a wide range of fine chemicals and micro/nano particles with processing times up to 10 min. The inter-dependency of mixing and residence times, and their direct correlation with reactor length have limited the adaptation of multiphase flow strategies for studies of processes with relatively long processing times (0.5-24 h). In this frontier article, we describe an oscillatory multiphase flow strategy to decouple mixing and residence times and enable investigation of longer timescale experiments than typically feasible with conventional continuous multiphase flow approaches. We review current oscillatory multiphase flow technologies, provide an overview of the advancements of this relatively new strategy in chemistry and biology, and close with a perspective on future opportunities.

Effects of Helium Ion Irradiation on Properties of Crystalline and Amorphous Multiphase Ceramic Coatings

NASA Astrophysics Data System (ADS)

Chen, Yong; Hu, Liangbin; Qiu, Changjun; He, Bin; Wang, Zhongchang

2017-08-01

The Al2O3-TiO2 crystalline and amorphous multiphase ceramic coatings were prepared on a martensitic steel by laser in situ reaction technique and impose irradiation with 200 keV He ions at different doses. The helium ion irradiation goes 1.55 μm deep from the surface of coating, and the displacement per atom (dpa) for the Al2O3-TiO2 coating is 20.0. When the irradiation fluency is 5 × 1017 ions/cm2, defects are identified in crystalline areas and there form interfacial areas in the coating. These crystal defects tend to migrate and converge at the interfaces. Moreover, helium ion irradiation is found to exert no effect on surface chemical composition and phase constitution of the coatings, while surface mechanical properties for the coatings after irradiation differ from those before irradiation. Further nano-indentation experiments reveal that surface nano-hardness of the Al2O3-TiO2 multiphase coatings decreases as the helium ions irradiation flux increases. Such Al2O3-TiO2 crystalline and amorphous multiphase ceramic coatings exhibit the strongest resistance against helium ion irradiation which shall be applied as candidate structural materials for accelerator-driven sub-critical system to handle the nuclear waste under extreme conditions.

Time-of-flight expansion of binary Bose–Einstein condensates at finite temperature

NASA Astrophysics Data System (ADS)

Lee, K. L.; Jørgensen, N. B.; Wacker, L. J.; Skou, M. G.; Skalmstang, K. T.; Arlt, J. J.; Proukakis, N. P.

2018-05-01

Ultracold quantum gases provide a unique setting for studying and understanding the properties of interacting quantum systems. Here, we investigate a multi-component system of 87Rb–39K Bose–Einstein condensates (BECs) with tunable interactions both theoretically and experimentally. Such multi-component systems can be characterized by their miscibility, where miscible components lead to a mixed ground state and immiscible components form a phase-separated state. Here we perform the first full simulation of the dynamical expansion of this system including both BECs and thermal clouds, which allows for a detailed comparison with experimental results. In particular we show that striking features emerge in time-of-flight (TOF) for BECs with strong interspecies repulsion, even for systems which were separated in situ by a large gravitational sag. An analysis of the centre of mass positions of the BECs after expansion yields qualitative agreement with the homogeneous criterion for phase-separation, but reveals no clear transition point between the mixed and the separated phases. Instead one can identify a transition region, for which the presence of a gravitational sag is found to be advantageous. Moreover, we analyse the situation where only one component is condensed and show that the density distribution of the thermal component also shows some distinct features. Our work sheds new light on the analysis of multi-component systems after TOF and will guide future experiments on the detection of miscibility in these systems.

Analysis of the gene cluster encoding toluene/o-xylene monooxygenase from Pseudomonas stutzeri OX1

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

Bertoni, G.; Martino, M.; Galli, E.

The toluene/o-xylene monooxygenase cloned from Pseudomonas stutzeri OX1 displays a very broad range of substrates and a very peculiar regioselectivity, because it is able to hydroxylate more than one position on the aromatic ring of several hydrocarbons and phenols. The nucleotide sequence of the gene cluster coding for this enzymatic system has been determined. The sequence analysis revealed the presence of six open reading frames (ORFs) homologous to other genes clustered in operons coding for multicomponent monooxygenases found in benzene- and toluene-degradative pathways cloned from Pseudomonas strains. Significant similarities were also found with multicomponent monooxygenase systems for phenol, methane, alkene,more » and dimethyl sulfide cloned from different bacterial strains. The knockout of each ORF and complementation with the wild-type allele indicated that all six ORFs are essential for the full activity of the toluene/o-xylene monooxygenase in Escherichia coli. This analysis also shows that despite its activity on both hydrocarbons and phenols, toluene/o-xylene monooxygenase belongs to a toluene multicomponent monooxygenase subfamily rather than to the monooxygenases active on phenols.« less

Linear Power-Flow Models in Multiphase Distribution Networks: Preprint

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

Bernstein, Andrey; Dall'Anese, Emiliano

This paper considers multiphase unbalanced distribution systems and develops approximate power-flow models where bus-voltages, line-currents, and powers at the point of common coupling are linearly related to the nodal net power injections. The linearization approach is grounded on a fixed-point interpretation of the AC power-flow equations, and it is applicable to distribution systems featuring (i) wye connections; (ii) ungrounded delta connections; (iii) a combination of wye-connected and delta-connected sources/loads; and, (iv) a combination of line-to-line and line-to-grounded-neutral devices at the secondary of distribution transformers. The proposed linear models can facilitate the development of computationally-affordable optimization and control applications -- frommore » advanced distribution management systems settings to online and distributed optimization routines. Performance of the proposed models is evaluated on different test feeders.« less

Molecular design and MD simulations of epitaxial superlattice of self-assembling ternary lipid bilayers

NASA Astrophysics Data System (ADS)

Chou, George; Vaughn, Mark; Cheng, K.

2011-10-01

Multicomponent lipid bilayers represent an important model system for studying cell membranes. At present, an ordered multicomponent phospholipid/cholesterol bilayer system involving charged lipid is still not available. Using a lipid superlattice (SL) model, a 13 x 15 x 15 nm^3 ternary phosphatidylcholine/phosphatidylserine/cholesterol bilayer system in water with simultaneous headgroup SL and acyl chain SL at different depths, or epitaxial SL, of the bilayer has been designed with atomistic detail. The arrangements of this epitaxial SL system were optimized by only two molecular parameters, lattice space and rotational angle of the lipids. Using atomistic MD simulations, we demonstrated the stability of the ordered structures for more than 100 ns. A positional restrained system was also used as a control. This system will provide new insights into understanding the nanodomain structures of cell membranes at the molecular level.

Verification of capillary pressure functions and relative permeability equations for gas production

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

Jang, Jaewon

The understanding of multiphase fluid flow in porous media is of great importance in many fields such as enhanced oil recovery, hydrology, CO 2 sequestration, contaminants cleanup and natural gas production from hydrate bearing sediments. However, there are many unanswered questions about the key parameters that characterize gas and water flows in porous media. The characteristics of multiphase fluid flow in porous media such as water retention curve, relative permeability, preferential fluid flow patterns and fluid-particle interaction should be taken into consideration for a fundamental understanding of the behavior of pore scale systems.

A multiphase non-linear mixed effects model: An application to spirometry after lung transplantation.

PubMed

Rajeswaran, Jeevanantham; Blackstone, Eugene H

2017-02-01

In medical sciences, we often encounter longitudinal temporal relationships that are non-linear in nature. The influence of risk factors may also change across longitudinal follow-up. A system of multiphase non-linear mixed effects model is presented to model temporal patterns of longitudinal continuous measurements, with temporal decomposition to identify the phases and risk factors within each phase. Application of this model is illustrated using spirometry data after lung transplantation using readily available statistical software. This application illustrates the usefulness of our flexible model when dealing with complex non-linear patterns and time-varying coefficients.

On the Grand Challenges in Physical Petrology: the Multiphase Crossroads

NASA Astrophysics Data System (ADS)

Bergantz, G. W.

2014-12-01

Rapid progress in experimental, micro-analytical and textural analysis at the crystal scale has produced an unprecedented record of magmatic processes. However an obstacle to further progress is the lack of understanding of how mass, energy and momentum flux associated with crystal-rich, open-system events produces identifiable outcomes. Hence developing a physically-based understanding of magmatic systems linking micro-scale petrological observations with a physical template operating at the macro-scale presents a so-called "Grand Challenge." The essence of this challenge is that magmatic systems have characteristic length and feedback scales between those accessible by classical continuum and discrete methods. It has become increasingly obvious that the old-school continuum methods have limited resolution and power of explanation for multiphase (real) magma dynamics. This is, in part, because in crystal-rich systems the deformation is non-affine, and so the concept of constitutive behavior is less applicable and likely not even relevant, especially if one is interested in the emergent character of micro-scale processes. One expression of this is the cottage industry of proposing viscosity laws for magmas, which serves as "blunt force" de facto corrections for what is intrinsically multiphase behavior. Even in more fluid-rich systems many of these laws are not suitable for use in the very transport theories they aim to support. The alternative approach is the discrete method, where multiphase interactions are explicitly resolved. This is a daunting prospect given the numbers of crystals in magmas. But perhaps all crystals don't need to be modeled. I will demonstrate how discrete methods can recover critical state behavior, resolve crystal migration, the onset of visco-elastic behavior such as melt-present shear bands which sets the large-scale mixing volumes, some of the general morpho-dynamics that underlies purported rheological models, and transient controls on the emergence and dissipation of distinct thermodynamic states. As simulations with 106 - 107 crystals are now possible both the local, micro-scale crystal processes as well as the larger scale processes controlled by particle-particle-fluid interactions, can be simultaneously resolved.

Dynamic properties of interfaces in soft matter: Experiments and theory

NASA Astrophysics Data System (ADS)

Sagis, Leonard M. C.

2011-10-01

The dynamic properties of interfaces often play a crucial role in the macroscopic dynamics of multiphase soft condensed matter systems. These properties affect the dynamics of emulsions, of dispersions of vesicles, of biological fluids, of coatings, of free surface flows, of immiscible polymer blends, and of many other complex systems. The study of interfacial dynamic properties, surface rheology, is therefore a relevant discipline for many branches of physics, chemistry, engineering, and life sciences. In the past three to four decades a vast amount of literature has been produced dealing with the rheological properties of interfaces stabilized by low molecular weight surfactants, proteins, (bio)polymers, lipids, colloidal particles, and various mixtures of these surface active components. In this paper recent experiments are reviewed in the field of surface rheology, with particular emphasis on the models used to analyze surface rheological data. Most of the models currently used are straightforward generalizations of models developed for the analysis of rheological data of bulk phases. In general the limits on the validity of these generalizations are not discussed. Not much use is being made of recent advances in nonequilibrium thermodynamic formalisms for multiphase systems, to construct admissible models for the stress-deformation behavior of interfaces. These formalisms are ideally suited to construct thermodynamically admissible constitutive equations for rheological behavior that include the often relevant couplings to other fluxes in the interface (heat and mass), and couplings to the transfer of mass from the bulk phase to the interface. In this review recent advances in the application of classical irreversible thermodynamics, extended irreversible thermodynamics, rational thermodynamics, extended rational thermodynamics, and the general equation for the nonequilibrium reversible-irreversible coupling formalism to multiphase systems are also discussed, and shown how these formalisms can be used to generate a wide range of thermodynamically admissible constitutive models for the surface stress tensor. Some of the generalizations currently in use are shown to have only limited validity. The aim of this review is to stimulate new developments in the fields of experimental surface rheology and constitutive modeling of multiphase systems using nonequilibrium thermodynamic formalisms and to promote a closer integration of these disciplines.

Multicomponent seismic methods for characterizing gas hydrate occurrences and systems in deep-water Gulf of Mexico

USGS Publications Warehouse

Haines, Seth S.; Lee, Myung W.; Collett, Timothy S.; Hardage, Bob A.

2011-01-01

In-situ characterization and quantification of natural gas hydrate occurrences remain critical research directions, whether for energy resource, drilling hazard, or climate-related studies. Marine multicomponent seismic data provide the full seismic wavefield including partial redundancy, and provide a promising set of approaches for gas hydrate characterization. Numerous authors have demonstrated the possibilities of multicomponent data at study sites around the world. We expand on this work by investigating the utility of very densely spaced (10’s of meters) multicomponent receivers (ocean-bottom cables, OBC, or ocean-bottom seismometers, OBS) for gas hydrate studies in the Gulf of Mexico and elsewhere. Advanced processing techniques provide high-resolution compressional-wave (PP) and converted shearwave (PS) reflection images of shallow stratigraphy, as well as P-wave and S-wave velocity estimates at each receiver position. Reflection impedance estimates can help constrain velocity and density, and thus gas hydrate saturation. Further constraint on velocity can be determined through identification of the critical angle and associated phase reversal in both PP and PS wideangle data. We demonstrate these concepts with examples from OBC data from the northeast Green Canyon area and numerically simulated OBS data that are based on properties of known gas hydrate occurrences in the southeast (deeper water) Green Canyon area. These multicomponent data capabilities can provide a wealth of characterization and quantification information that is difficult to obtain with other geophysical methods.

Simulation of multicomponent light source for optical-electronic system of color analysis objects

NASA Astrophysics Data System (ADS)

Peretiagin, Vladimir S.; Alekhin, Artem A.; Korotaev, Valery V.

2016-04-01

Development of lighting technology has led to possibility of using LEDs in the specialized devices for outdoor, industrial (decorative and accent) and domestic lighting. In addition, LEDs and devices based on them are widely used for solving particular problems. For example, the LED devices are widely used for lighting of vegetables and fruit (for their sorting or growing), textile products (for the control of its quality), minerals (for their sorting), etc. Causes of active introduction LED technology in different systems, including optical-electronic devices and systems, are a large choice of emission color and LED structure, that defines the spatial, power, thermal and other parameters. Furthermore, multi-element and color devices of lighting with adjustable illumination properties can be designed and implemented by using LEDs. However, devices based on LEDs require more attention if you want to provide a certain nature of the energy or color distribution at all the work area (area of analysis or observation) or surface of the object. This paper is proposed a method of theoretical modeling of the lighting devices. The authors present the models of RGB multicomponent light source applied to optical-electronic system for the color analysis of mineral objects. The possibility of formation the uniform and homogeneous on energy and color illumination of the work area for this system is presented. Also authors showed how parameters and characteristics of optical radiation receiver (by optical-electronic system) affect on the energy, spatial, spectral and colorimetric properties of a multicomponent light source.

Preface to the Special Issue on TOUGH Symposium 2015

NASA Astrophysics Data System (ADS)

Blanco-Martín, Laura

2017-11-01

The TOUGH Symposium 2015 was held in Berkeley, California, September 28-30, 2015. The TOUGH family of codes, developed at the Energy Geosciences Division of Lawrence Berkeley National Laboratory (LBNL), is a suite of computer programs for the simulation of multiphase and multicomponent fluid and heat flows in porous and fractured media with applications in many geosciences fields, such as geothermal reservoir engineering, nuclear waste disposal, geological carbon sequestration, oil and gas reservoirs, gas hydrate research, vadose zone hydrology and environmental remediation. Since the first release in the 1980s, many modifications and enhancements have been continuously made to TOUGH and its various descendants (iTOUGH2, TOUGH+, TOUGH-MP, TOUGHREACT, TOUGH+HYDRATE, TMVOC...), at LBNL and elsewhere. Today, these codes are used worldwide in academia, government organizations and private companies in problems involving coupled hydrological, thermal, biogeochemical and geomechanical processes. The Symposia, organized every 2-3 years, bring together developers and users for an open exchange on recent code enhancements and applications. In 2015, the Symposium was attended by one hundred participants, representing thirty-four nationalities. This Special Issue in Computers & Geosciences gathers extended versions of selected Symposium proceedings related to (i) recent enhancements to the TOUGH family of codes and (ii) coupled flow and geomechanics processes modeling.

a Marker-Based Eulerian-Lagrangian Method for Multiphase Flow with Supersonic Combustion Applications

NASA Astrophysics Data System (ADS)

Fan, Xiaofeng; Wang, Jiangfeng

2016-06-01

The atomization of liquid fuel is a kind of intricate dynamic process from continuous phase to discrete phase. Procedures of fuel spray in supersonic flow are modeled with an Eulerian-Lagrangian computational fluid dynamics methodology. The method combines two distinct techniques and develops an integrated numerical simulation method to simulate the atomization processes. The traditional finite volume method based on stationary (Eulerian) Cartesian grid is used to resolve the flow field, and multi-component Navier-Stokes equations are adopted in present work, with accounting for the mass exchange and heat transfer occupied by vaporization process. The marker-based moving (Lagrangian) grid is utilized to depict the behavior of atomized liquid sprays injected into a gaseous environment, and discrete droplet model 13 is adopted. To verify the current approach, the proposed method is applied to simulate processes of liquid atomization in supersonic cross flow. Three classic breakup models, TAB model, wave model and K-H/R-T hybrid model, are discussed. The numerical results are compared with multiple perspectives quantitatively, including spray penetration height and droplet size distribution. In addition, the complex flow field structures induced by the presence of liquid spray are illustrated and discussed. It is validated that the maker-based Eulerian-Lagrangian method is effective and reliable.

Field pilot test of surfactant-enhanced remediation of trichloroethane DNAPL in a sand aquifer

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

Jackson, R.E.; Butler, G.W.; Londergan, J.T.

The sequence of lacustrine and outwash deposits beneath a vapor degreasing operation at the Paducah Gaseous Division Plant, Kentucky, is contaminated with trichloroethane due to leakage from a sewer/sump line. A plume of dissolved trichloroethane (TCE) extends throughout an area of approximately 3 km[sup 2] in the Regional Gravel Aquifer (RGA) which is located between 20 and 30 meters below ground surface. It is suspected that some 40,000 liters of TCE might have escaped into the subsurface at Paducah, most of which is still present in the lacustrine deposits and the underlying RGA as DNAPL. A field test to confirmmore » the presence of TCE DNAPL in the sandy, upper portion of the RGA around a monitoring well and to test the efficiency of the surfactant for TCE solubilization is described. The aqueous concentrations of TCE in this well have consistently been measured at 300--550 mg TCE/L over a period of three years. The use of Capillary and Bond numbers to estimate the improbability of mobilization of DNAPL due to the lowering of the interfacial tension is described. The multiphase, multicomponent simulator UTCHEM was used to simulate both the injection and extraction of the surfactant solution and the solubilization of the TCE by the surfactant micelles.« less

Imaging water velocity and volume fraction distributions in water continuous multiphase flows using inductive flow tomography and electrical resistance tomography

NASA Astrophysics Data System (ADS)

Meng, Yiqing; Lucas, Gary P.

2017-05-01

This paper presents the design and implementation of an inductive flow tomography (IFT) system, employing a multi-electrode electromagnetic flow meter (EMFM) and novel reconstruction techniques, for measuring the local water velocity distribution in water continuous single and multiphase flows. A series of experiments were carried out in vertical-upward and upward-inclined single phase water flows and ‘water continuous’ gas-water and oil-gas-water flows in which the velocity profiles ranged from axisymmetric (single phase and vertical-upward multiphase flows) to highly asymmetric (upward-inclined multiphase flows). Using potential difference measurements obtained from the electrode array of the EMFM, local axial velocity distributions of the continuous water phase were reconstructed using two different IFT reconstruction algorithms denoted RT#1, which assumes that the overall water velocity profile comprises the sum of a series of polynomial velocity components, and RT#2, which is similar to RT#1 but which assumes that the zero’th order velocity component may be replaced by an axisymmetric ‘power law’ velocity distribution. During each experiment, measurement of the local water volume fraction distribution was also made using the well-established technique of electrical resistance tomography (ERT). By integrating the product of the local axial water velocity and the local water volume fraction in the cross section an estimate of the water volumetric flow rate was made which was compared with a reference measurement of the water volumetric flow rate. In vertical upward flows RT#2 was found to give rise to water velocity profiles which are consistent with the previous literature although the profiles obtained in the multiphase flows had relatively higher central velocity peaks than was observed for the single phase profiles. This observation was almost certainly a result of the transfer of axial momentum from the less dense dispersed phases to the water, which occurred preferentially at the pipe centre. For upward inclined multiphase flows RT#1 was found to give rise to water velocity profiles which are more consistent with results in the previous literature than was the case for RT#2—which leads to the tentative conclusion that the upward inclined multiphase flows investigated in the present study did not contain significant axisymmetric velocity components.

Experimental determination of the speciation, partitioning, and release of perrhenate as a chemical surrogate for pertechnetate from a sodalite-bearing multiphase ceramic waste form

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

Pierce, Eric M.; Lukens, Wayne W.; Fitts, Jeff. P.

2013-12-01

A key component to closing the nuclear fuel cycle is the storage and disposition of nuclear waste in geologic systems. Multiphase ceramic waste forms have been studied extensively as a potential host matrix for nuclear waste. Understanding the speciation, partitioning, and release behavior of radionuclides immobilized in multiphase ceramic waste forms is a critical aspect of developing the scientific and technical basis for nuclear waste management. In this study, we evaluated a sodalite-bearing multiphase ceramic waste form (i.e., fluidized-bed steam reform sodium aluminosilicate [FBSR NAS] product) as a potential host matrix for long-lived radionuclides, such as technetium (99Tc). The FBSRmore » NAS material consists primarily of nepheline (ideally NaAlSiO4), anion-bearing sodalites (ideally M8[Al6Si6O24]X2, where M refers to alkali and alkaline earth cations and X refers to monovalent anions), and nosean (ideally Na8[AlSiO4]6SO4). Bulk X-ray absorption fine structure analysis of the multiphase ceramic waste form, suggest rhenium (Re) is in the Re(VII) oxidation state and has partitioned to a Re-bearing sodalite phase (most likely a perrhenate sodalite Na8[Al6Si6O24](ReO4)2). Rhenium was added as a chemical surrogate for 99Tc during the FBSR NAS synthesis process. The weathering behavior of the FBSR NAS material was evaluated under hydraulically unsaturated conditions with deionized water at 90 ?C. The steady-state Al, Na, and Si concentrations suggests the weathering mechanisms are consistent with what has been observed for other aluminosilicate minerals and include a combination of ion exchange, network hydrolysis, and the formation of an enriched-silica surface layer or phase. The steady-state S and Re concentrations are within an order of magnitude of the nosean and perrhenate sodalite solubility, respectively. The order of magnitude difference between the observed and predicted concentration for Re and S may be associated with the fact that the anion-bearing sodalites contained in the multiphase ceramic matrix are present as mixed-anion sodalite phases. These results suggest the multiphase FBSR NAS material may be a viable host matrix for long-lived, highly mobilie radionuclides which is a critical aspect in the management of nuclear waste.« less

A self-calibrating multicomponent force/torque measuring system

NASA Astrophysics Data System (ADS)

Marangoni, Rafael R.; Schleichert, Jan; Rahneberg, Ilko; Hilbrunner, Falko; Fröhlich, Thomas

2018-07-01

A multicomponent self-calibrating force and torque sensor is presented. In this system, the principle of a Kibble balance is adapted for the traceable force and torque measurement in three orthogonal directions. The system has two operating modes: the velocity mode and the force/torque sensing mode. In the velocity mode, the calibration of the sensor is performed, while in the force/torque sensing mode, forces and torques are measured by using the principle of the electromagnetic force compensation. Details about the system are provided, with the main components of the sensor and a description of the operational procedure. A prototype of the system is currently being implemented for measuring forces and torques in a range of  ±2 N and  ±0.1 N · m respectively. A maximal relative expanded measurement uncertainty (k  =  2) of 1 · 10‑4 is expected for the force and torque measurements.

Detection of Ne VIII in an Intervening Multiphase Absorption System Toward 3C 263

NASA Astrophysics Data System (ADS)

Narayanan, Anand; Wakker, Bart P.; Savage, Blair D.

2009-09-01

We report the detection of Ne VIII in an intervening multiphase absorption line system at z = 0.32566 in the Far Ultraviolet Spectroscopic Explorer spectrum of the quasar 3C 263 (zem = 0.646). The Ne VIII λ770 Å detection has a 3.9σ significance. At the same velocity, we also find absorption lines from C IV, O III, O IV, and N IV. The line parameter measurements yield log [N(Ne VIII) cm-2] = 13.98+0.10 -0.13 and b = 49.8 ± 5.5 km s-1. We find that the ionization mechanism in the gas phase giving rise to the Ne VIII absorption is inconsistent with photoionization. The absorber has a multiphase structure, with the intermediate ions produced in cool photoionized gas and the Ne VIII most likely in a warm collisionally ionized medium in the temperature range (0.5-1.0) × 106 K. This is the second ever detection of an intervening Ne VIII absorption system. Its properties resemble the previous Ne VIII absorber reported by Savage and colleagues. Direct observations of H I and O VI are needed to better constrain the physical conditions in the collisionally ionized gas phase of this absorber. Based on observations with the NASA-CNES-CSA Far Ultraviolet Spectroscopic Explorer operated by Johns Hopkins University, supported by NASA contract NAS5-32985.

CREATION OF A MULTIDISCIPLINARY PROJECT PLATFORM FOR WATER SYSTEMS IN DEVELOPING COUNTRIES

EPA Science Inventory

The Lehigh University chapter of Engineers Without Borders-USA will design and construct a sustainable, multi-phase system for the treatment and distribution of drinking water in Pueblo Nuevo, Honduras. The new system will include a slow sand filter, hypochlorinator, water sto...

Multiphase mean curvature flows with high mobility contrasts: A phase-field approach, with applications to nanowires

NASA Astrophysics Data System (ADS)

Bretin, Elie; Danescu, Alexandre; Penuelas, José; Masnou, Simon

2018-07-01

The structure of many multiphase systems is governed by an energy that penalizes the area of interfaces between phases weighted by surface tension coefficients. However, interface evolution laws depend also on interface mobility coefficients. Having in mind some applications where highly contrasted or even degenerate mobilities are involved, for which classical phase field models are inapplicable, we propose a new effective phase field approach to approximate multiphase mean curvature flows with mobilities. The key aspect of our model is to incorporate the mobilities not in the phase field energy (which is conventionally the case) but in the metric which determines the gradient flow. We show the consistency of such an approach by a formal analysis of the sharp interface limit. We also propose an efficient numerical scheme which allows us to illustrate the advantages of the model on various examples, as the wetting of droplets on solid surfaces or the simulation of nanowires growth generated by the so-called vapor-liquid-solid method.

Two-Phase Flow and Compaction Within and Outside a Sphere under Pure Shear

NASA Astrophysics Data System (ADS)

Hier-Majumder, S.

2017-12-01

This work presents a framework for building analytical solutions for coupled flow in two interacting multiphase domains. The coupled system consists of a multiphase sphere embedded in a multiphase substrate. Each of these domains consist of an interconnected load bearing matrix phase and an inviscid interstitial fluid phase. This work outlines techniques for building analytical solutions for velocity, pressure, and compaction within each domain, subject to boundary conditions of continuity of matrix velocity and normal traction at the interface between the two domains. The solutions indicate that the flow is strongly dependent on the ratio of shear viscosities between the matrix phase in the sphere and the matrix phase in the substrate. When deformed under a pure shear deformation, the magnitude of flow within the sphere rapidly decreases with an increase in this ratio until it reaches a value of 40, after which, the velocity within the sphere becomes relatively insensitive to the increase in the viscosity contrast.

Mechanical properties of in situ consolidated nanocrystalline multi-phase Al-Pb-W alloy studied by nanoindentation

NASA Astrophysics Data System (ADS)

Varam, Sreedevi; Prasad, Muvva D.; Rao, K. Bhanu Sankara; Rajulapati, Koteswararao V.

2016-12-01

Formation of chunks of various sizes ranging between 2 and 6 mm was achieved using high-energy ball milling in Al-1at.%Pb-1at.%W alloy system at room temperature during milling itself, aiding in in situ consolidation. X-ray diffraction and transmission electron microscopy (TEM) studies indicate the formation of multi-phase structure with nanocrystalline structural features. From TEM data, an average grain size of 23 nm was obtained for Al matrix and the second-phase particles were around 5 nm. A high strain rate sensitivity (SRS) of 0.071 ± 0.004 and an activation volume of 4.71b3 were measured using nanoindentation. Modulus mapping studies were carried out using Berkovich tip in dynamic mechanical analysis mode coupled with in situ scanning probe microscopy imaging. The salient feature of this investigation is highlighting the role of different phases, their crystal structures and the resultant interfaces on the overall SRS and activation volume of a multi-phase nc material.

Smoothed dissipative particle dynamics model for mesoscopic multiphase flows in the presence of thermal fluctuations

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

Lei, Huan; Baker, Nathan A.; Wu, Lei

2016-08-05

Thermal fluctuations cause perturbations of fluid-fluid interfaces and highly nonlinear hydrodynamics in multiphase flows. In this work, we develop a novel multiphase smoothed dissipative particle dynamics model. This model accounts for both bulk hydrodynamics and interfacial fluctuations. Interfacial surface tension is modeled by imposing a pairwise force between SDPD particles. We show that the relationship between the model parameters and surface tension, previously derived under the assumption of zero thermal fluctuation, is accurate for fluid systems at low temperature but overestimates the surface tension for intermediate and large thermal fluctuations. To analyze the effect of thermal fluctuations on surface tension,more » we construct a coarse-grained Euler lattice model based on the mean field theory and derive a semi-analytical formula to directly relate the surface tension to model parameters for a wide range of temperatures and model resolutions. We demonstrate that the present method correctly models the dynamic processes, such as bubble coalescence and capillary spectra across the interface.« less

Dissipative hydrodynamics for multi-component systems

NASA Astrophysics Data System (ADS)

El, Andrej; Bouras, Ioannis; Wesp, Christian; Xu, Zhe; Greiner, Carsten

2012-11-01

Second-order dissipative hydrodynamic equations for each component of a multi-component system are derived using the entropy principle. Comparison of the solutions with kinetic transport results demonstrates validity of the obtained equations. We demonstrate how the shear viscosity of the total system can be calculated in terms of the involved cross-sections and partial densities. The presence of the inter-species interactions leads to a characteristic time dependence of the shear viscosity of the mixture, which also means that the shear viscosity of a mixture cannot be calculated using the Green-Kubo formalism the way it has been done recently. This finding is of interest for understanding of the shear viscosity of a quark-gluon plasma extracted from comparisons of hydrodynamic simulations with experimental results from RHIC and LHC.

Water Footprint and Water Consumption for the Main Crops and Biofuels Produced in Brazil

NASA Astrophysics Data System (ADS)

Sun, Y.; Tong, C.; Mansoor, K.; Carroll, S.

2011-12-01

The risk of CO2 leakage into shallow aquifers through various pathways such as faults and abandoned wells is a concern of CO2 geological sequestration. If a leak is detected in an aquifer system, a contingency plan is required to manage the CO2 storage and to protect the groundwater source. Among many remediation and mitigation strategies, the simplest is to stop CO2 leakage at a wellbore. Therefore, it is necessary to address whether and when the CO2 leaks should be sealed, and how much risk can be mitigated. In the presence of various uncertainties, including geological-structure uncertainty and parametric uncertainty, the risk of CO2 leakage into an aquifer needs to be assessed with probabilistic distributions of uncertain parameters. In this study, we developed an integrated model to simulate multiphase flow of CO2 and brine in a deep storage reservoir, through a leaky well at an uncertain location, and subsequently multicomponent reactive transport in a shallow aquifer. Each sub-model covers its domain-specific physics. Uncertainties of geological structure and parameters are considered together with decision variables (CO2 injection rate and mitigation time) for risk assessment of leakage-impacted aquifer volume. High-resolution and less-expensive reduced-order models (ROMs) of risk profiles are approximated as polynomial functions of decision variables and all uncertain parameters. These reduced-order models are then used in the place of computationally-expensive numerical models for future decision-making on if and when the leaky well is sealed. The tradeoff between CO2 storage capacity in the reservoir and the leakage-induced risk in the aquifer is evaluated. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344.

Emergence of Life on Earth: A Physicochemical Jigsaw Puzzle.

PubMed

Spitzer, Jan

2017-01-01

We review physicochemical factors and processes that describe how cellular life can emerge from prebiotic chemical matter; they are: (1) prebiotic Earth is a multicomponent and multiphase reservoir of chemical compounds, to which (2) Earth-Moon rotations deliver two kinds of regular cycling energies: diurnal electromagnetic radiation and seawater tides. (3) Emerging colloidal phases cyclically nucleate and agglomerate in seawater and consolidate as geochemical sediments in tidal zones, creating a matrix of microspaces. (4) Some microspaces persist and retain memory from past cycles, and others re-dissolve and re-disperse back into the Earth's chemical reservoir. (5) Proto-metabolites and proto-biopolymers coevolve with and within persisting microspaces, where (6) Macromolecular crowding and other non-covalent molecular forces govern the evolution of hydrophilic, hydrophobic, and charged molecular surfaces. (7) The matrices of microspaces evolve into proto-biofilms of progenotes with rudimentary but evolving replication, transcription, and translation, enclosed in unstable cell envelopes. (8) Stabilization of cell envelopes 'crystallizes' bacteria-like genetics and metabolism with low horizontal gene transfer-life 'as we know it.' These factors and processes constitute the 'working pieces' of the jigsaw puzzle of life's emergence. They extend the concept of progenotes as the first proto-cellular life, connected backward in time to the cycling chemistries of the Earth-Moon planetary system, and forward to the ancient cell cycle of first bacteria-like organisms. Supra-macromolecular models of 'compartments first' are preferred: they facilitate macromolecular crowding-a key abiotic/biotic transition toward living states. Evolutionary models of metabolism or genetics 'first' could not have evolved in unconfined and uncrowded environments because of the diffusional drift to disorder mandated by the second law of thermodynamics.

Modelling gas transport in the shallow subsurface in the Maguelone field experiment

NASA Astrophysics Data System (ADS)

Basirat, Farzad; Niemi, Auli; Perroud, Hervé; Lofi, Johanna; Denchik, Nataliya; Lods, Gérard; Pezard, Philippe; Sharma, Prabhakar; Fagerlund, Fritjof

2013-04-01

Developing reliable monitoring techniques to detect and characterize CO2 leakage in shallow subsurface is necessary for the safety of any GCS project. To test different monitoring techniques, shallow injection-monitoring experiment have and are being carried out at the Maguelone, along the Mediterranean lido of the Gulf of Lions, near Montpellier, France. This experimental site was developed in the context of EU FP7 project MUSTANG and is documented in Lofi et al. (2012). Gas injection experiments are being carried out and three techniques of pressure, electrical resistivity and seismic monitoring have been used to detect the nitrogen and CO2 release in the near surface environment. In the present work we use the multiphase and multicomponent TOUGH2/EOS7CA model to simulate the gaseous nitrogen and CO2 transport of the experiments carried out so far. The objective is both to gain understanding of the system performance based on the model analysis as well as to further develop and validate modelling approaches for gas transport in the shallow subsurface, against the well-controlled data sets. Numerical simulation can also be used for the prediction of experimental setup limitations. We expect the simulations to represent the breakthrough time for the different tested injection rates. Based on the hydrogeological formation data beneath the lido, we also expect the vertical heterogeneities in grain size distribution create an effective capillary barrier against upward gas transport in numerical simulations. Lofi J., Pezard P.A., Bouchette F., Raynal O., Sabatier P., Denchik N., Levannier A., Dezileau L., and Certain R. Integrated onshore-offshore geophysical investigation of a layered coastal aquifer, NW Mediterranean. Ground Water, (2012).

Uncertainty Quantification and Risk Mitigation of CO2 Leakage in Groundwater Aquifers

NASA Astrophysics Data System (ADS)

Sun, Y.; Tong, C.; Mansoor, K.; Carroll, S.

2013-12-01

The risk of CO2 leakage into shallow aquifers through various pathways such as faults and abandoned wells is a concern of CO2 geological sequestration. If a leak is detected in an aquifer system, a contingency plan is required to manage the CO2 storage and to protect the groundwater source. Among many remediation and mitigation strategies, the simplest is to stop CO2 leakage at a wellbore. Therefore, it is necessary to address whether and when the CO2 leaks should be sealed, and how much risk can be mitigated. In the presence of various uncertainties, including geological-structure uncertainty and parametric uncertainty, the risk of CO2 leakage into an aquifer needs to be assessed with probabilistic distributions of uncertain parameters. In this study, we developed an integrated model to simulate multiphase flow of CO2 and brine in a deep storage reservoir, through a leaky well at an uncertain location, and subsequently multicomponent reactive transport in a shallow aquifer. Each sub-model covers its domain-specific physics. Uncertainties of geological structure and parameters are considered together with decision variables (CO2 injection rate and mitigation time) for risk assessment of leakage-impacted aquifer volume. High-resolution and less-expensive reduced-order models (ROMs) of risk profiles are approximated as polynomial functions of decision variables and all uncertain parameters. These reduced-order models are then used in the place of computationally-expensive numerical models for future decision-making on if and when the leaky well is sealed. The tradeoff between CO2 storage capacity in the reservoir and the leakage-induced risk in the aquifer is evaluated. This work performed under the auspices of the U.S. Department of Energy by Lawrence Livermore National Laboratory under contract DE-AC52-07NA27344.

Herschel Spectroscopy of the Taffy Galaxies (UGC 12914/12915 = VV 254): Enhanced [C II] Emission in the Collisionally Formed Bridge

NASA Astrophysics Data System (ADS)

Peterson, B. W.; Appleton, P. N.; Bitsakis, T.; Guillard, P.; Alatalo, K.; Boulanger, F.; Cluver, M.; Duc, P.-A.; Falgarone, E.; Gallagher, S.; Gao, Y.; Helou, G.; Jarrett, T. H.; Joshi, B.; Lisenfeld, U.; Lu, N.; Ogle, P.; Pineau des Forêts, G.; van der Werf, P.; Xu, C. K.

2018-03-01

Using the PACS and SPIRE spectrometers on board Herschel, we obtained observations of the Taffy galaxies (UGC 12914/12915) and bridge. The Taffy system is believed to be the result of a face-on collision between two gas-rich galaxies, in which the stellar disks passed through each other, but the gas was dispersed into a massive H I and molecular bridge between them. Emission is detected and mapped in both galaxies and the bridge in the [C II]157.7 μm and [O I]63.2 μm fine-structure lines. Additionally, SPIRE FTS spectroscopy detects the [C I] {}3{{{P}}}2\\to {}3{{{P}}}1(809.3 {GHz}) and [C I] {}3{{{P}}}1\\to 3{{{P}}}0(492.2 {GHz}) neutral carbon lines, and weakly detects high-J CO transitions in the bridge. These results indicate that the bridge is composed of a warm multi-phase medium consistent with shock and turbulent heating. Despite low star formation rates in the bridge, the [C II] emission appears to be enhanced, reaching [C II]/FIR ratios of 3.3% in parts of the bridge. Both the [C II] and [O I] lines show broad intrinsic multi-component profiles, similar to those seen in previous CO (1–0) and H I observations. The [C II] emission shares similar line profiles with both the double-peaked H I profiles and shares a high-velocity component with single-peaked CO profiles in the bridge, suggesting that the [C II] emission originates in both the neutral and molecular phases. We show that it is feasible that a combination of turbulently heated H2 and high column-density H I, resulting from the galaxy collision, is responsible for the enhanced [C II] emission.

HYDRATE v1.5 OPTION OF TOUGH+ v1.5

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

Moridis, George

HYDRATE v1.5 is a numerical code that for the simulation of the behavior of hydrate-bearing geologic systems, and represents the third update of the code since its first release [Moridis et al., 2008]. It is an option of TOUGH+ v1.5 [Moridis and Pruess, 2014], a successor to the TOUGH2 [Pruess et al., 1999, 2012] family of codes for multi-component, multiphase fluid and heat flow developed at the Lawrence Berkeley National Laboratory. HYDRATE v1.5 needs the TOUGH+ v1.5 core code in order to compile and execute. It is written in standard FORTRAN 95/2003, and can be run on any computational platformmore » (workstation, PC, Macintosh) for which such compilers are available. By solving the coupled equations of mass and heat balance, the fully operational TOUGH+HYDRATE code can model the non-isothermal gas release, phase behavior and flow of fluids and heat under conditions typical of common natural CH 4-hydrate deposits (i.e., in the permafrost and in deep ocean sediments) in complex geological media at any scale (from laboratory to reservoir) at which Darcy's law is valid. TOUGH+HYDRATE v1.5 includes both an equilibrium and a kinetic model of hydrate formation and dissociation. The model accounts for heat and up to four mass components, i.e., water, CH 4, hydrate, and water-soluble inhibitors such as salts or alcohols. These are partitioned among four possible phases (gas phase, liquid phase, ice phase and hydrate phase). Hydrate dissociation or formation, phase changes and the corresponding thermal effects are fully described, as are the effects of inhibitors. The model can describe all possible hydrate dissociation mechanisms, i.e., depressurization, thermal stimulation, salting-out effects and inhibitor-induced effects.« less

Multiphase porous media modelling: A novel approach to predicting food processing performance.

PubMed

Khan, Md Imran H; Joardder, M U H; Kumar, Chandan; Karim, M A

2018-03-04

The development of a physics-based model of food processing is essential to improve the quality of processed food and optimize energy consumption. Food materials, particularly plant-based food materials, are complex in nature as they are porous and have hygroscopic properties. A multiphase porous media model for simultaneous heat and mass transfer can provide a realistic understanding of transport processes and thus can help to optimize energy consumption and improve food quality. Although the development of a multiphase porous media model for food processing is a challenging task because of its complexity, many researchers have attempted it. The primary aim of this paper is to present a comprehensive review of the multiphase models available in the literature for different methods of food processing, such as drying, frying, cooking, baking, heating, and roasting. A critical review of the parameters that should be considered for multiphase modelling is presented which includes input parameters, material properties, simulation techniques and the hypotheses. A discussion on the general trends in outcomes, such as moisture saturation, temperature profile, pressure variation, and evaporation patterns, is also presented. The paper concludes by considering key issues in the existing multiphase models and future directions for development of multiphase models.

Slush Fund: Modeling the Multiphase Physics of Oceanic Ices

NASA Astrophysics Data System (ADS)

Buffo, J.; Schmidt, B. E.

2016-12-01

The prevalence of ice interacting with an ocean, both on Earth and throughout the solar system, and its crucial role as the mediator of exchange between the hydrosphere below and atmosphere above, have made quantifying the thermodynamic, chemical, and physical properties of the ice highly desirable. While direct observations of these quantities exist, their scarcity increases with the difficulty of obtainment; the basal surfaces of terrestrial ice shelves remain largely unexplored and the icy interiors of moons like Europa and Enceladus have never been directly observed. Our understanding of these entities thus relies on numerical simulation, and the efficacy of their incorporation into larger systems models is dependent on the accuracy of these initial simulations. One characteristic of seawater, likely shared by the oceans of icy moons, is that it is a solution. As such, when it is frozen a majority of the solute is rejected from the forming ice, concentrating in interstitial pockets and channels, producing a two-component reactive porous media known as a mushy layer. The multiphase nature of this layer affects the evolution and dynamics of the overlying ice mass. Additionally ice can form in the water column and accrete onto the basal surface of these ice masses via buoyancy driven sedimentation as frazil or platelet ice. Numerical models hoping to accurately represent ice-ocean interactions should include the multiphase behavior of these two phenomena. While models of sea ice have begun to incorporate multiphase physics into their capabilities, no models of ice shelves/shells explicitly account for the two-phase behavior of the ice-ocean interface. Here we present a 1D multiphase model of floating oceanic ice that includes parameterizations of both density driven advection within the `mushy layer' and buoyancy driven sedimentation. The model is validated against contemporary sea ice models and observational data. Environmental stresses such as supercooling and melting events will be discussed for terrestrial ice. The impact of fluid motion within the mushy layer on nutrient transport and habitability will be discussed. Results from the model's application to icy moon environments will be presented, highlighting ice shell composition, thickness, thermodynamics, and role in potential habitability.

High temperature helical tubular receiver for concentrating solar power system

NASA Astrophysics Data System (ADS)

Hossain, Nazmul

In the field of conventional cleaner power generation technology, concentrating solar power systems have introduced remarkable opportunity. In a solar power tower, solar energy concentrated by the heliostats at a single point produces very high temperature. Falling solid particles or heat transfer fluid passing through that high temperature region absorbs heat to generate electricity. Increasing the residence time will result in more heat gain and increase efficiency. A novel design of solar receiver for both fluid and solid particle is approached in this paper which can increase residence time resulting in higher temperature gain in one cycle compared to conventional receivers. The helical tubular solar receiver placed at the focused sunlight region meets the higher outlet temperature and efficiency. A vertical tubular receiver is modeled and analyzed for single phase flow with molten salt as heat transfer fluid and alloy625 as heat transfer material. The result is compared to a journal paper of similar numerical and experimental setup for validating our modeling. New types of helical tubular solar receivers are modeled and analyzed with heat transfer fluid turbulent flow in single phase, and granular particle and air plug flow in multiphase to observe the temperature rise in one cyclic operation. The Discrete Ordinate radiation model is used for numerical analysis with simulation software Ansys Fluent 15.0. The Eulerian granular multiphase model is used for multiphase flow. Applying the same modeling parameters and boundary conditions, the results of vertical and helical receivers are compared. With a helical receiver, higher temperature gain of heat transfer fluid is achieved in one cycle for both single phase and multiphase flow compared to the vertical receiver. Performance is also observed by varying dimension of helical receiver.

System and technique for characterizing fluids using ultrasonic diffraction grating spectroscopy

DOEpatents

Greenwood, Margaret S [Richland, WA

2008-07-08

A system for determining property of multiphase fluids based on ultrasonic diffraction grating spectroscopy includes a diffraction grating on a solid in contact with the fluid. An interrogation device delivers ultrasound through the solid and a captures a reflection spectrum from the diffraction grating. The reflection spectrum exhibits peaks whose relative size depends on the properties of the various phases of the multiphase fluid. For example, for particles in a liquid, the peaks exhibit dependence on the particle size and the particle volume fraction. Where the exact relationship is know know a priori, data from different peaks of the same reflection spectrum or data from the peaks of different spectra obtained from different diffraction gratings can be used to resolve the size and volume fraction.

Rheology of multiphase polymer systems using novel "melt rigidity" evaluation approach

NASA Astrophysics Data System (ADS)

Kracalik, Milan

2015-04-01

Multiphase polymer systems like blends, composites and nanocomposites exhibit complex rheological behaviour due to physical and also possibly chemical interactions between individual phases. Up to now, rheology of heterogeneous polymer systems has been usually described by evaluation of viscosity curve (shear thinning phenomenon), storage modulus curve (formation of secondary plateau) or plotting information about damping behaviour (e.g. Van Gurp-Palmen-plot). On the contrary to evaluation of damping behaviour, "melt rigidity" approach has been introduced for description of physical network of rigid particles in polymer matrix as relation of ∫G'/∫G" over specific frequency range. This approach has been experimentally proved for polymer nanocomposites in order to compare shear flow characteristics with elongational flow field. In this contribution, LDPE-clay nanocomposites with different dispersion grades (physical networks) have been prepared and characterized by both conventional as well as novel "melt rigidity" approach.

MMPI-2 and MMPI-A Computerized Interpretation: An Adjunct to Quality Mental Health Service.

ERIC Educational Resources Information Center

Phelps, LeAdelle

1994-01-01

Provides reviews of computerized scoring and interpretive systems for the Minnesota Multiphasic Personality Inventory (MMPI-2 and MMPI-A): Caldwell Report, the Psychological Assessment Resources MMPI-2 Interpretive System, and the National Computer Systems Programs. Concludes that when used appropriately, such scoring systems enhance a counselor's…

Basic Research Needs for Electrical Energy Storage. Report of the Basic Energy Sciences Workshop on Electrical Energy Storage, April 2-4, 2007

DOE R&D Accomplishments Database

Goodenough, J. B.; Abruna, H. D.; Buchanan, M. V.

2007-04-04

To identify research areas in geosciences, such as behavior of multiphase fluid-solid systems on a variety of scales, chemical migration processes in geologic media, characterization of geologic systems, and modeling and simulation of geologic systems, needed for improved energy systems.

Methods, systems and apparatus for adjusting modulation index to improve linearity of phase voltage commands

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

Gallegos-Lopez, Gabriel; Perisic, Milun; Kinoshita, Michael H.

2017-03-14

Embodiments of the present invention relate to methods, systems and apparatus for controlling operation of a multi-phase machine in a motor drive system. The disclosed embodiments provide a mechanism for adjusting modulation index of voltage commands to improve linearity of the voltage commands.

Multi-phase model development to assess RCIC system capabilities under severe accident conditions

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

Kirkland, Karen Vierow; Ross, Kyle; Beeny, Bradley

The Reactor Core Isolation Cooling (RCIC) System is a safety-related system that provides makeup water for core cooling of some Boiling Water Reactors (BWRs) with a Mark I containment. The RCIC System consists of a steam-driven Terry turbine that powers a centrifugal, multi-stage pump for providing water to the reactor pressure vessel. The Fukushima Dai-ichi accidents demonstrated that the RCIC System can play an important role under accident conditions in removing core decay heat. The unexpectedly sustained, good performance of the RCIC System in the Fukushima reactor demonstrates, firstly, that its capabilities are not well understood, and secondly, that themore » system has high potential for extended core cooling in accident scenarios. Better understanding and analysis tools would allow for more options to cope with a severe accident situation and to reduce the consequences. The objectives of this project were to develop physics-based models of the RCIC System, incorporate them into a multi-phase code and validate the models. This Final Technical Report details the progress throughout the project duration and the accomplishments.« less

Development of axisymmetric lattice Boltzmann flux solver for complex multiphase flows

NASA Astrophysics Data System (ADS)

Wang, Yan; Shu, Chang; Yang, Li-Ming; Yuan, Hai-Zhuan

2018-05-01

This paper presents an axisymmetric lattice Boltzmann flux solver (LBFS) for simulating axisymmetric multiphase flows. In the solver, the two-dimensional (2D) multiphase LBFS is applied to reconstruct macroscopic fluxes excluding axisymmetric effects. Source terms accounting for axisymmetric effects are introduced directly into the governing equations. As compared to conventional axisymmetric multiphase lattice Boltzmann (LB) method, the present solver has the kinetic feature for flux evaluation and avoids complex derivations of external forcing terms. In addition, the present solver also saves considerable computational efforts in comparison with three-dimensional (3D) computations. The capability of the proposed solver in simulating complex multiphase flows is demonstrated by studying single bubble rising in a circular tube. The obtained results compare well with the published data.

Pore-Scale Investigation on Stress-Dependent Characteristics of Granular Packs and Their Impact on Multiphase Fluid Distribution

NASA Astrophysics Data System (ADS)

Torrealba, V.; Karpyn, Z.; Yoon, H.; Hart, D. B.; Klise, K. A.

2013-12-01

The pore-scale dynamics that govern multiphase flow under variable stress conditions are not well understood. This lack of fundamental understanding limits our ability to quantitatively predict multiphase flow and fluid distributions in natural geologic systems. In this research, we focus on pore-scale, single and multiphase flow properties that impact displacement mechanisms and residual trapping of non-wetting phase under varying stress conditions. X-ray micro-tomography is used to image pore structures and distribution of wetting and non-wetting fluids in water-wet synthetic granular packs, under dynamic load. Micro-tomography images are also used to determine structural features such as medial axis, surface area, and pore body and throat distribution; while the corresponding transport properties are determined from Lattice-Boltzmann simulations performed on lattice replicas of the imaged specimens. Results are used to investigate how inter-granular deformation mechanisms affect fluid displacement and residual trapping at the pore-scale. This will improve our understanding of the dynamic interaction of mechanical deformation and fluid flow during enhanced oil recovery and geologic CO2 sequestration. Sandia National Laboratories is a multi-program laboratory managed and operated by Sandia Corporation, a wholly owned subsidiary of Lockheed Martin Corporation, for the U.S. Department of Energy's National Nuclear Security Administration under contract DE-AC04-94AL85000.

Use of the Fracture Continuum Model for Numerical Modeling of Flow and Transport of Deep Geologic Disposal of Nuclear Waste in Crystalline Rock

NASA Astrophysics Data System (ADS)

Hadgu, T.; Kalinina, E.; Klise, K. A.; Wang, Y.

2015-12-01

Numerical modeling of disposal of nuclear waste in a deep geologic repository in fractured crystalline rock requires robust characterization of fractures. Various methods for fracture representation in granitic rocks exist. In this study we used the fracture continuum model (FCM) to characterize fractured rock for use in the simulation of flow and transport in the far field of a generic nuclear waste repository located at 500 m depth. The FCM approach is a stochastic method that maps the permeability of discrete fractures onto a regular grid. The method generates permeability fields using field observations of fracture sets. The original method described in McKenna and Reeves (2005) was designed for vertical fractures. The method has since then been extended to incorporate fully three-dimensional representations of anisotropic permeability, multiple independent fracture sets, and arbitrary fracture dips and orientations, and spatial correlation (Kalinina et al. 20012, 2014). For this study the numerical code PFLOTRAN (Lichtner et al., 2015) has been used to model flow and transport. PFLOTRAN solves a system of generally nonlinear partial differential equations describing multiphase, multicomponent and multiscale reactive flow and transport in porous materials. The code is designed to run on massively parallel computing architectures as well as workstations and laptops (e.g. Hammond et al., 2011). Benchmark tests were conducted to simulate flow and transport in a specified model domain. Distributions of fracture parameters were used to generate a selected number of realizations. For each realization, the FCM method was used to generate a permeability field of the fractured rock. The PFLOTRAN code was then used to simulate flow and transport in the domain. Simulation results and analysis are presented. The results indicate that the FCM approach is a viable method to model fractured crystalline rocks. The FCM is a computationally efficient way to generate realistic representation of complex fracture systems. This approach is of interest for nuclear waste disposal models applied over large domains.

Technical Report on NETL's Non Newtonian Multiphase Slurry Workshop: A path forward to understanding non-Newtonian multiphase slurry flows

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

Guenther, Chris; Garg, Rahul

2013-08-19

The Department of Energy’s (DOE) National Energy Technology Laboratory (NETL) sponsored a workshop on non-Newtonian multiphase slurry at NETL’s Morgantown campus August 19 and 20, 2013. The objective of this special two-day meeting of 20-30 invited experts from industry, National Labs and academia was to identify and address technical issues associated with handling non-Newtonian multiphase slurries across various facilities managed by DOE. Particular emphasis during this workshop was placed on applications managed by the Office of Environmental Management (EM). The workshop was preceded by two webinars wherein personnel from ORP and NETL provided background information on the Hanford WTP projectmore » and discussed the critical design challenges facing this project. In non-Newtonian fluids, viscosity is not constant and exhibits a complex dependence on applied shear stress or deformation. Many applications under EM’s tank farm mission involve non-Newtonian slurries that are multiphase in nature; tank farm storage and handling, slurry transport, and mixing all involve multiphase flow dynamics, which require an improved understanding of the mechanisms responsible for rheological changes in non-Newtonian multiphase slurries (NNMS). To discuss the issues in predicting the behavior of NNMS, the workshop focused on two topic areas: (1) State-of-the-art in non-Newtonian Multiphase Slurry Flow, and (2) Scaling up with Confidence and Ensuring Safe and Reliable Long-Term Operation.« less

Accelerated lattice Boltzmann model for colloidal suspensions rheology and interface morphology

NASA Astrophysics Data System (ADS)

Farhat, Hassan

Colloids are ubiquitous in the food, medical, cosmetic, polymer, water purification and pharmaceutical industries. Colloids thermal, mechanical and storage properties are highly dependent on their interface morphology and their rheological behavior. Numerical methods provide a cheap and reliable virtual laboratory for the study of colloids. However efficiency is a major concern to address when using numerical methods for practical applications. This work introduces the main building-blocks for an improved lattice Boltzmann-based numerical tool designed for the study of colloidal rheology and interface morphology. The efficiency of the proposed model is enhanced by using the recently developed and validated migrating multi-block algorithms for the lattice Boltzmann method (LBM). The migrating multi-block was used to simulate single component, multi-component, multiphase and single component multiphase flows. Results were validated by experimental, numerical and analytical solutions. The contamination of the fluid-fluid interface influences the colloids morphology. This issue was addressed by the introduction of the hybrid LBM for surfactant-covered droplets. The module was used for the simulation of surfactant-covered droplet deformation under shear and uniaxial extensional flows respectively and under buoyancy. Validation with experimental and theoretical results was provided. Colloids are non-Newtonian fluids which exhibit rich rheological behavior. The suppression of coalescence module is the part of the proposed model which facilitates the study of colloids rheology. The model results for the relative viscosity were in agreement with some theoretical results. Biological suspensions such as blood are macro-colloids by nature. The study of the blood flow in the microvasculature was heuristically approached by assuming the red blood cells as surfactant covered droplets. The effects of interfacial tension on the flow velocity and the droplet exclusion from the walls in parabolic flows were in qualitative agreement with some experimental and numerical results. The Fahraeus and the Fahraeus-Lindqvist effects were reproduced. The proposed LBM model provides a flexible numerical platform consisting of various modules which could be used separately or in combination for the study of a variety of colloids and biological suspensions flow deformation problems.

Partial and Complete Wetting in Ultralow Interfacial Tension Multiphase Blends with Polylactide.

PubMed

Zolali, Ali M; Favis, Basil D

2016-12-15

The control of phase structuring in multiphase blends of polylactide (PLA) with other polymers is a viable approach to promote its broader implementation. In this article, ternary and quaternary blends of PLA with poly(butylene succinate) (PBS), poly(butylene adipate-co-terephthalate) (PBAT), and poly(3-hydroxybutyrate-co-hydroxyvalerate) (PHBV) are prepared by melt blending. The interfacial tensions between components are measured using three different techniques, and a Fourier transform infrared imaging technique is developed for the purpose of unambiguous phase identification. A tricontinuous complete wetting behavior is observed for the ternary 33PLA/33PBS/33PBAT blend before and after quiescent annealing, which correlates closely with spreading theory analysis. In the quaternary PLA/PBS/PBAT/PHBV blend, a concentration-dependent wetting behavior is found. At 10 vol % PBAT, self-assembled partially wet droplets of PBAT are observed at the interface of PBS and PHBV, and they remain stable after quiescent annealing as predicted by spreading theory. In contrast, at 25 vol % PBAT, a quadruple continuous system is observed after mixing, which only transforms to partially wet PBAT droplets after subsequent annealing. These results clearly indicate the potential of composition control during the mixing of multiphase systems to result in a complete change of spreading behavior.

Innovative NMR strategies for complex macromolecules

USDA-ARS?s Scientific Manuscript database

In recent years there has been an increasing research emphasis on complex macromolecular systems. These include polymers with precise control of structures, multicomponent systems with higher degrees of organization, polymers involved in micelles, interfaces, and confined environments, nanochemistr...

Virasoro symmetry of the constrained multicomponent Kadomtsev-Petviashvili hierarchy and its integrable discretization

NASA Astrophysics Data System (ADS)

Li, Chuanzhong; He, Jingsong

2016-06-01

We construct Virasoro-type additional symmetries of a kind of constrained multicomponent Kadomtsev-Petviashvili (KP) hierarchy and obtain the Virasoro flow equation for the eigenfunctions and adjoint eigenfunctions. We show that the algebraic structure of the Virasoro symmetry is retained under discretization from the constrained multicomponent KP hierarchy to the discrete constrained multicomponent KP hierarchy.

Components of a Rice-Oilseed Rape Production System Augmented with Trichoderma sp. Tri-1 Control Sclerotinia sclerotiorum on Oilseed Rape.

PubMed

Hu, Xiaojia; Roberts, Daniel P; Xie, Lihua; Maul, Jude E; Yu, Changbing; Li, Yinshui; Zhang, Yinbo; Qin, Lu; Liao, Xing

2015-10-01

Sclerotinia sclerotiorum causes serious yield losses on many crops throughout the world. A multicomponent treatment that consisted of the residual rice straw remaining after rice harvest and Trichoderma sp. Tri-1 (Tri-1) formulated with the oilseed rape seedcake fertilizer was used in field soil infested with S. sclerotiorum. This treatment resulted in oilseed rape seed yield that was significantly greater than the nontreated control or when the fungicide carbendizem was used in the presence of this pathogen in field trials. Yield data suggested that the rice straw, oilseed rape seedcake, and Tri-1 components of this treatment all contributed incrementally. Similar treatment results were obtained regarding reduction in disease incidence. Slight improvements in yield and disease incidence were detected when this multicomponent treatment was combined with a fungicide spray. Inhibition of sclerotial germination by this multicomponent treatment trended greater than the nontreated control at 90, 120, and 150 days in field studies but was not significantly different from this control. This multicomponent treatment resulted in increased yield relative to the nontreated control in the absence of pathogen in a greenhouse pot study, while the straw alone and the straw plus oilseed rape seedcake treatments did not; suggesting that Tri-1 was capable of promoting growth. Experiments reported here indicate that a treatment containing components of a rice-oilseed rape production system augmented with Tri-1 can control S. sclerotiorum on oilseed rape, be used in integrated strategies containing fungicide sprays for control of this pathogen, and promote plant growth.

A Multiphase Non-Linear Mixed Effects Model: An Application to Spirometry after Lung Transplantation

PubMed Central

Rajeswaran, Jeevanantham; Blackstone, Eugene H.

2014-01-01

In medical sciences, we often encounter longitudinal temporal relationships that are non-linear in nature. The influence of risk factors may also change across longitudinal follow-up. A system of multiphase non-linear mixed effects model is presented to model temporal patterns of longitudinal continuous measurements, with temporal decomposition to identify the phases and risk factors within each phase. Application of this model is illustrated using spirometry data after lung transplantation using readily available statistical software. This application illustrates the usefulness of our flexible model when dealing with complex non-linear patterns and time varying coefficients. PMID:24919830

Modeling multiphase migration of organic chemicals in groundwater systems--a review and assessment.

PubMed Central

Abriola, L M

1989-01-01

Over the past two decades, a number of models have been developed to describe the multiphase migration of organic chemicals in the subsurface. This paper presents the state-of-the-art with regard to such modeling efforts. The mathematical foundations of these models are explored and individual models are presented and discussed. Models are divided into three groups: a) those that assume a sharp interface between the migrating fluids; b) those that incorporate capillarity; and c) those that consider interphase transport of mass. Strengths and weaknesses of each approach are considered along with supporting data for model validation. Future research directions are also highlighted. PMID:2695322

Surface-Sensitive and Bulk Studies on the Complexation and Photosensitized Degradation of Catechol by Iron(III) as a Model for Multicomponent Aerosol Systems

NASA Astrophysics Data System (ADS)

Al-abadleh, H. A.; Tofan-Lazar, J.; Situm, A.; Ruffolo, J.; Slikboer, S.

2013-12-01

Surface water plays a crucial role in facilitating or inhibiting surface reactions in atmospheric aerosols. Little is known about the role of surface water in the complexation of organic molecules to transition metals in multicomponent aerosol systems. We will show results from real time diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS) experiments for the in situ complexation of catechol to Fe(III) and its photosensitized degradation under dry and humid conditions. Catechol was chosen as a simple model for humic-like substances (HULIS) in aerosols and aged polyaromatic hydrocarbons (PAH). It has also been detected in secondary organic aerosols (SOA) formed from the reaction of hydroxyl radicals with benzene. Given the importance of the iron content in aerosols and its biogeochemistry, our studies were conducted using FeCl3. For comparison, these surface-sensitive studies were complemented with bulk aqueous ATR-FTIR, UV-vis, and HPLC measurements for structural, quantitative and qualitative information about complexes in the bulk, and potential degradation products. The implications of our studies on understanding interfacial and condensed phase chemistry relevant to multicomponent aerosols, water thin islands on buildings, and ocean surfaces containing transition metals will be discussed.

Harmonically mode-locked erbium-doped waveguide laser

NASA Astrophysics Data System (ADS)

Fanto, Michael L.; Malowicki, John E.; Bussjager, Rebecca J.; Johns, Steven T.; Vettese, Elizabeth K.; Hayduk, Michael J.

2004-08-01

The generation of ultrastable picosecond pulses in the 1550 nm range is required for numerous applications that include photonic analog-to-digital converter systems and high-bit rate optical communication systems. Mode-locked erbium-doped fiber ring lasers (EDFLs) are typically used to generate pulses at this wavelength. In addition to timing stability and output power, the physical size of the laser cavity is of primary importance to the Air Force. The length of the erbium (Er)-doped fiber used as the gain medium may be on the order of meters or even tens of meters which adds complexity to packaging. However, with the recent advancements in the production of multi-component glasses, higher doping concentrations can be achieved as compared to silicate glasses. Even more recent is the introduction of Er-doped multi-component glass waveguides, thus allowing the overall footprint of the gain medium to be reduced. We have constructed a novel harmonically mode-locked fiber ring laser using the Er-doped multi-component glass waveguide as the gain medium. The performance characteristics of this Er-doped waveguide laser (EDWL) including pulse width, spectral width, harmonic suppression, optical output power, laser stability and single sideband residual phase noise will be discussed in this paper.

[Absorption and metabolism of Chuanxiong Rhizoma decoction with multi-component sequential metabolism method].

PubMed

Liu, Yang; Luo, Zhi-Qiang; Lv, Bei-Ran; Zhao, Hai-Yu; Dong, Ling

2016-04-01

The multiple components in Chinese herbal medicines (CHMS) will experience complex absorption and metabolism before entering the blood system. Previous studies often lay emphasis on the components in blood. However, the dynamic and sequential absorption and metabolism process following multi-component oral administration has not been studied. In this study, the in situ closed-loop method combined with LC-MS techniques were employed to study the sequential process of Chuanxiong Rhizoma decoction (RCD). A total of 14 major components were identified in RCD. Among them, ferulic acid, senkyunolide J, senkyunolide I, senkyunolide F, senkyunolide G, and butylidenephthalide were detected in all of the samples, indicating that the six components could be absorbed into blood in prototype. Butylphthalide, E-ligustilide, Z-ligustilide, cnidilide, senkyunolide A and senkyunolide Q were not detected in all the samples, suggesting that the six components may not be absorbed or metabolized before entering the hepatic portal vein. Senkyunolide H could be metabolized by the liver, while senkyunolide M could be metabolized by both liver and intestinal flora. This study clearly demonstrated the changes in the absorption and metabolism process following multi-component oral administration of RCD, so as to convert the static multi-component absorption process into a comprehensive dynamic and continuous absorption and metabolism process. Copyright© by the Chinese Pharmaceutical Association.

Dynamic decoupling and local atomic order of a model multicomponent metallic glass-former.

PubMed

Kim, Jeongmin; Sung, Bong June

2015-06-17

The dynamics of multicomponent metallic alloys is spatially heterogeneous near glass transition. The diffusion coefficient of one component of the metallic alloys may also decouple from those of other components, i.e., the diffusion coefficient of each component depends differently on the viscosity of metallic alloys. In this work we investigate the dynamic heterogeneity and decoupling of a model system for multicomponent Pd43Cu27Ni10P20 melts by using a hard sphere model that considers the size disparity of alloys but does not take chemical effects into account. We also study how such dynamic behaviors would relate to the local atomic structure of metallic alloys. We find, from molecular dynamics simulations, that the smallest component P of multicomponent Pd43Cu27Ni10P20 melts becomes dynamically heterogeneous at a translational relaxation time scale and that the largest major component Pd forms a slow subsystem, which has been considered mainly responsible for the stabilization of amorphous state of alloys. The heterogeneous dynamics of P atoms accounts for the breakdown of Stokes-Einstein relation and also leads to the dynamic decoupling of P and Pd atoms. The dynamically heterogeneous P atoms decrease the lifetime of the local short-range atomic orders of both icosahedral and close-packed structures by orders of magnitude.

Multicomponent gas sorption Joule-Thomson refrigeration

NASA Technical Reports Server (NTRS)

Jones, Jack A. (Inventor); Petrick, S. Walter (Inventor); Bard, Steven (Inventor)

1991-01-01

The present invention relates to a cryogenic Joule-Thomson refrigeration capable of pumping multicomponent gases with a single stage sorption compressor system. Alternative methods of pumping a multicomponent gas with a single stage compressor are disclosed. In a first embodiment, the sorbent geometry is such that a void is defined near the output of the sorption compressor. When the sorbent is cooled, the sorbent primarily adsorbs the higher boiling point gas such that the lower boiling point gas passes through the sorbent to occupy the void. When the sorbent is heated, the higher boiling point gas is desorbed at high temperature and pressure and thereafter propels the lower boiling point gas out of the sorption compressor. A mixing chamber is provided to remix the constituent gases prior to expansion of the gas through a Joule-Thomson valve. Other methods of pumping a multicomponent gas are disclosed. For example, where the sorbent is porous and the low boiling point gas does not adsorb very well, the pores of the sorbent will act as a void space for the lower boiling point gas. Alternatively, a mixed sorbent may be used where a first sorbent component physically adsorbs the high boiling point gas and where the second sorbent component chemically absorbs the low boiling point gas.

Design of magnetic and fluorescent nanoparticles for in vivo MR and NIRF cancer imaging

NASA Astrophysics Data System (ADS)

Key, Jaehong

One big challenge for cancer treatment is that it has many errors in detection of cancers in the early stages before metastasis occurs. Using a current imaging modality, the detection of small tumors having potential metastasis is still very difficult. Thus, the development of multi-component nanoparticles (NPs) for dual modality cancer imaging is invaluable. The multi-component NPs can be an alternative to overcome the limitations from an imaging modality. For example, the multi-component NPs can visualize small tumors in both magnetic resonance imaging (MRI) and near infrared fluorescence (NIRF) imaging, which can help find the location of the tumors deep inside the body using MRI and subsequently guide surgeons to delineate the margin of tumors using highly sensitive NIRF imaging during a surgical operation. In this dissertation, we demonstrated the potential of the MRI and NIRF dual-modality NPs for skin and bladder cancer imaging. The multi-component NPs consisted of glycol chitosan, superparamagnetic iron oxide, NIRF dye, and cancer targeting peptides. We characterized the NPs and evaluated them with tumor bearing mice as well as various cancer cells. The findings of this research will contribute to the development of cancer diagnostic imaging and it can also be extensively applied to drug delivery system and fluorescence-guided surgical removal of cancer.

Numerical model for the evaluation of Earthquake effects on a magmatic system.

NASA Astrophysics Data System (ADS)

Garg, Deepak; Longo, Antonella; Papale, Paolo

2016-04-01

A finite element numerical model is presented to compute the effect of an Earthquake on the dynamics of magma in reservoirs with deformable walls. The magmatic system is hit by a Mw 7.2 Earthquake (Petrolia/Capo Mendocina 1992) with hypocenter at 15 km diagonal distance. At subsequent times the seismic wave reaches the nearest side of the magmatic system boundary, travels through the magmatic fluid and arrives to the other side of the boundary. The modelled physical system consists in the magmatic reservoir with a thin surrounding layer of rocks. Magma is considered as an homogeneous multicomponent multiphase Newtonian mixture with exsolution and dissolution of volatiles (H2O+CO2). The magmatic reservoir is made of a small shallow magma chamber filled with degassed phonolite, connected by a vertical dike to a larger deeper chamber filled with gas-rich shoshonite, in condition of gravitational instability. The coupling between the Earthquake and the magmatic system is computed by solving the elastostatic equation for the deformation of the magmatic reservoir walls, along with the conservation equations of mass of components and momentum of the magmatic mixture. The characteristic elastic parameters of rocks are assigned to the computational domain at the boundary of magmatic system. Physically consistent Dirichlet and Neumann boundary conditions are assigned according to the evolution of the seismic signal. Seismic forced displacements and velocities are set on the part of the boundary which is hit by wave. On the other part of boundary motion is governed by the action of fluid pressure and deviatoric stress forces due to fluid dynamics. The constitutive equations for the magma are solved in a monolithic way by space-time discontinuous-in-time finite element method. To attain additional stability least square and discontinuity capturing operators are included in the formulation. A partitioned algorithm is used to couple the magma and thin layer of rocks. The magmatic system is highly disturbed during the maximum amplitude of the seismic wave, showing random to oscillatory velocity and pressure, after which it follows the natural dynamic state of gravitational destabilization. The seismic disturbance remarkably triggers propagation of pressure waves at magma sound speed, reflecting from bottom to top, left and right of the magmatic system. A signal analysis of the frequency energy content is reported.

Dynamic Data-Driven Reduced-Order Models of Macroscale Quantities for the Prediction of Equilibrium System State for Multiphase Porous Medium Systems

NASA Astrophysics Data System (ADS)

Talbot, C.; McClure, J. E.; Armstrong, R. T.; Mostaghimi, P.; Hu, Y.; Miller, C. T.

2017-12-01

Microscale simulation of multiphase flow in realistic, highly-resolved porous medium systems of a sufficient size to support macroscale evaluation is computationally demanding. Such approaches can, however, reveal the dynamic, steady, and equilibrium states of a system. We evaluate methods to utilize dynamic data to reduce the cost associated with modeling a steady or equilibrium state. We construct data-driven models using extensions to dynamic mode decomposition (DMD) and its connections to Koopman Operator Theory. DMD and its variants comprise a class of equation-free methods for dimensionality reduction of time-dependent nonlinear dynamical systems. DMD furnishes an explicit reduced representation of system states in terms of spatiotemporally varying modes with time-dependent oscillation frequencies and amplitudes. We use DMD to predict the steady and equilibrium macroscale state of a realistic two-fluid porous medium system imaged using micro-computed tomography (µCT) and simulated using the lattice Boltzmann method (LBM). We apply Koopman DMD to direct numerical simulation data resulting from simulations of multiphase fluid flow through a 1440x1440x4320 section of a full 1600x1600x5280 realization of imaged sandstone. We determine a representative set of system observables via dimensionality reduction techniques including linear and kernel principal component analysis. We demonstrate how this subset of macroscale quantities furnishes a representation of the time-evolution of the system in terms of dynamic modes, and discuss the selection of a subset of DMD modes yielding the optimal reduced model, as well as the time-dependence of the error in the predicted equilibrium value of each macroscale quantity. Finally, we describe how the above procedure, modified to incorporate methods from compressed sensing and random projection techniques, may be used in an online fashion to facilitate adaptive time-stepping and parsimonious storage of system states over time.

Device and method for measuring multi-phase fluid flow in a conduit having an abrupt gradual bend

DOEpatents

Ortiz, M.G.

1998-02-10

A system is described for measuring fluid flow in a conduit having an abrupt bend. The system includes pressure transducers, one disposed in the conduit at the inside of the bend and one or more disposed in the conduit at the outside of the bend but spaced a distance therefrom. The pressure transducers measure the pressure of fluid in the conduit at the locations of the pressure transducers and this information is used by a computational device to calculate fluid flow rate in the conduit. For multi-phase fluid, the density of the fluid is measured by another pair of pressure transducers, one of which is located in the conduit elevationally above the other. The computation device then uses the density measurement along with the fluid pressure measurements, to calculate fluid flow. 1 fig.

Device and method for measuring multi-phase fluid flow and density of fluid in a conduit having a gradual bend

DOEpatents

Ortiz, Marcos German; Boucher, Timothy J.

1998-01-01

A system for measuring fluid flow in a conduit having a gradual bend or arc, and a straight section. The system includes pressure transducers, one or more disposed in the conduit on the outside of the arc, and one disposed in the conduit in a straight section thereof. The pressure transducers measure the pressure of fluid in the conduit at the locations of the pressure transducers and this information is used by a computational device to calculate fluid flow rate in the conduit. For multi-phase fluid, the density of the fluid is measured by another pair of pressure transducers, one of which is located in the conduit elevationally above the other. The computation device then uses the density measurement along with the fluid pressure measurements, to calculate fluid flow.

Device and method for measuring multi-phase fluid flow in a conduit having an abrupt gradual bend

DOEpatents

Ortiz, Marcos German

1998-01-01

A system for measuring fluid flow in a conduit having an abrupt bend. The system includes pressure transducers, one disposed in the conduit at the inside of the bend and one or more disposed in the conduit at the outside of the bend but spaced a distance therefrom. The pressure transducers measure the pressure of fluid in the conduit at the locations of the pressure transducers and this information is used by a computational device to calculate fluid flow rate in the conduit. For multi-phase fluid, the density of the fluid is measured by another pair of pressure transducers, one of which is located in the conduit elevationally above the other. The computation device then uses the density measurement along with the fluid pressure measurements, to calculate fluid flow.

Electrical heating of soils using high efficiency electrode patterns and power phases

DOEpatents

Buettner, Harley M.

1999-01-01

Powerline-frequency electrical (joule) heating of soils using a high efficiency electrode configuration and power phase arrangement. The electrode configuration consists of several heating or current injection electrodes around the periphery of a volume of soil to be heated, all electrodes being connected to one phase of a multi-phase or a single-phase power system, and a return or extraction electrode or electrodes located inside the volume to be heated being connected to the remaining phases of the multi-phase power system or to the neutral side of the single-phase power source. This electrode configuration and power phase arrangement can be utilized anywhere where powerline frequency soil heating is applicable and thus has many potential uses including removal of volatile organic compounds such as gasoline and tricholorethylene (TCE) from contaminated areas.

Multi-component nanofibrous scaffolds with tunable properties for bone tissue engineering

NASA Astrophysics Data System (ADS)

Jose, Moncy V.

Bone is a highly complex tissue which is an integral part of vertebrates and hence any damage has a major negative effect on the quality of life. Tissue engineering is regarded as an ideal route to resolve the issues related to the scarcity of tissue and organ for transplantation. Apart from cell line and growth factors, the choice of materials and fabrication technique for scaffold are equally important. The goal of this work was to develop a multi-component nanofibrous scaffold based on a synthetic polymer (poly(lactic-co-glycolide) (PLGA)), a biopolymer (collagen) and a biomineral (nano-hydroxyapatite (nano-HA)) by electrospinning technique, which mimics the nanoscopic, chemical, and anisotropic features of bone. Preliminary studies involved fabrication of nanocomposite scaffolds based on PLGA and nano-HA. Morphological and mechanical characterizations revealed that at low concentrations, nano-HA acted as reinforcements, whereas at higher concentrations the presence of aggregation was detrimental to the scaffold. Hydrolytic degradation studies revealed the scaffold had a little mass loss and the mechanical property was maintained for a period of 6 weeks. This study was followed by evaluation of a blend system based on PLGA and collagen. Collagen addition provides hydrophilicity and the necessary cell binding sites in PLGA. The structural characterization revealed that the blend had limited interactions between the two components. The mechanical characterization revealed that with increasing collagen concentration, there was a decline in mechanical properties. However, crosslinking of the blend system, with carbodiimide (EDC) resulted in improving the mechanical properties of the scaffolds. A multi-component system was developed by adding different concentrations of nano-HA to a fixed PLGA/collagen blend composition (80/20). Morphological and mechanical characterizations revealed properties similar to the PLGA/HA system. Cyto-compatibility studies revealed favorable cell adhesion and proliferation. Protein adsorption studies showed the higher surface area as well as the presence of collagen resulted in higher fibronectin and vitronectin adsorption. Crosslinking by EDC resulted in enhanced mechanical property in hydrated state and enhanced degradation stability. These results suggest that such a multi-component system can take advantage of the mechanical benefit available from the individual components and also provide specific biological cues necessary for a successful scaffold.

General Model for Multicomponent Ablation Thermochemistry

NASA Technical Reports Server (NTRS)

Milos, Frank S.; Marschall, Jochen; Rasky, Daniel J. (Technical Monitor)

1994-01-01

A previous paper (AIAA 94-2042) presented equations and numerical procedures for modeling the thermochemical ablation and pyrolysis of thermal protection materials which contain multiple surface species. This work describes modifications and enhancements to the Multicomponent Ablation Thermochemistry (MAT) theory and code for application to the general case which includes surface area constraints, rate limited surface reactions, and non-thermochemical mass loss (failure). Detailed results and comparisons with data are presented for the Shuttle Orbiter reinforced carbon-carbon oxidation protection system which contains a mixture of sodium silicate (Na2SiO3), silica (SiO2), silicon carbide (SiC), and carbon (C).

Structure-induced microalloying effect in multicomponent alloys

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

Guo, Gu -Qing; Yang, Liang; Wu, Shi -Yang

2016-04-28

In this study, the microalloying effect on glass-forming ability (GFA) has been investigated from the structural aspect, by performing synchrotron radiation x-ray diffraction and absorption measurements coupled with simulations in the NiNbZr ternary system. We propose a new parameter which counts the fraction of the fivefold symmetries in all clusters and find it is strongly associated with the GFA. In particular, this structural parameter has the highest value in a composition where the best GFA is achieved. The present work provides an in-depth understanding of microalloying-induced high GFAs in multicomponent alloys.

Scale-invariance underlying the logistic equation and its social applications

NASA Astrophysics Data System (ADS)

Hernando, A.; Plastino, A.

2013-01-01

On the basis of dynamical principles we i) advance a derivation of the Logistic Equation (LE), widely employed (among multiple applications) in the simulation of population growth, and ii) demonstrate that scale-invariance and a mean-value constraint are sufficient and necessary conditions for obtaining it. We also generalize the LE to multi-component systems and show that the above dynamical mechanisms underlie a large number of scale-free processes. Examples are presented regarding city-populations, diffusion in complex networks, and popularity of technological products, all of them obeying the multi-component logistic equation in an either stochastic or deterministic way.

BROAD SPECTRUM ANALYSIS FOR TRACE ORGANIC POLLUTANTS IN LARGE VOLUMES OF WATER BY XAD RESINS-COLUMN DESIGN-FACTS AND MYTHS.

USGS Publications Warehouse

Gibs, J.; Wicklund, A.; Suffet, I.H.

1986-01-01

The 'rule of thumb' that large volumes of water can be sampled for trace organic pollutants by XAD resin columns which are designed by small column laboratory studies or pure compounds is examined and shown to be a problem. A theory of multicomponent breakthrough is presented as a frame of reference to help solve the problem and develop useable criteria to aid the design of resin columns. An important part of the theory is the effect of humic substances on the breakthrough character of multicomponent chemical systems.

Analysis and Thermodynamic Prediction of Hydrogen Solution in Solid and Liquid Multicomponent Aluminum Alloys

NASA Astrophysics Data System (ADS)

Anyalebechi, P. N.

Reported experimentally determined values of hydrogen solubility in liquid and solid Al-H and Al-H-X (where X = Cu, Si, Zn, Mg, Li, Fe or Ti) systems have been critically reviewed and analyzed in terms of Wagner's interaction parameter. An attempt has been made to use Wagner's interaction parameter and statistic linear regression models derived from reported hydrogen solubility limits for binary aluminum alloys to predict the hydrogen solubility limits in liquid and solid (commercial) multicomponent aluminum alloys. Reasons for the observed poor agreement between the predicted and experimentally determined hydrogen solubility limits are discussed.

Multiphase gas in quasar absorption-line systems

NASA Technical Reports Server (NTRS)

Giroux, Mark L.; Sutherland, Ralph S.; Shull, J. Michael

1994-01-01

In the standard model for H I Lyman-limit (LL) quasar absorption-line systems, the absorbing matter is galactic disk and halo gas, heated and photoionized by the metagalactic radiation field produced by active galaxies. In recent Hubble Space Telescope (HST) observations (Reimers et al. 1992; Vogel & Reimers 1993; Reimers & Vogel 1993) of LL systems along the line of sight to the quasar HS 1700+6416, surprisingly high He I/H I ratios and a wide distribution of column densities of C, N, and O ions are deduced from extreme ultraviolet absorption lines. We show that these observations are incompatible with photoionization equilibrium by a single metagalactic ionizing background. We argue that these quasar absorption systems possess a multiphase interstellar medium similar to that of our Galaxy, in which extended hot, collisionally ionized gas is responsible for some or all of the high ionization stages of heavy elements. From the He/H ratios we obtain -4.0 less than or = log U less than or = -3.0, while the CNO ions are consistent with hot gas in collisional ionization equilibrium at log T = 5.3 and (O/H) = -1.6. The supernova rate necessary to produce these heavy elements and maintain the hot-gas energy budget of approximately 10(exp 41.5) ergs/s is approximately 10(exp -2)/yr, similar to that which maintains the 'three-phase' interstellar medium in our own Galaxy. As a consequence of the change in interpretation from photoionized gas to a multiphase medium, the derived heavy-element abundances (e.g., O/C) of these systems are open to question owing to substantial ionization corrections for unseen C V in the hot phase. The metal-line ratios may also lead to erroneous diagnostics of the shape of the metagalactic ionizaing spectrum and the ionizing parameter of the absorbers.

A Comparison of Analytical and Numerical Methods for Modeling Dissolution and Other Reactions in Transport Limited Systems

NASA Astrophysics Data System (ADS)

Hochstetler, D. L.; Kitanidis, P. K.

2009-12-01

Modeling the transport of reactive species is a computationally demanding problem, especially in complex subsurface media, where it is crucial to improve understanding of geochemical processes and the fate of groundwater contaminants. In most of these systems, reactions are inherently fast and actual rates of transformations are limited by the slower physical transport mechanisms. There have been efforts to reformulate multi-component reactive transport problems into systems that are simpler and less demanding to solve. These reformulations include defining conservative species and decoupling of reactive transport equations so that fewer of them must be solved, leaving mostly conservative equations for transport [e.g., De Simoni et al., 2005; De Simoni et al., 2007; Kräutle and Knabner, 2007; Molins et al., 2004]. Complex and computationally cumbersome numerical codes used to solve such problems have also caused De Simoni et al. [2005] to develop more manageable analytical solutions. Furthermore, this work evaluates reaction rates and has reaffirmed that the mixing rate,▽TuD▽u, where u is a solute concentration and D is the dispersion tensor, as defined by Kitanidis [1994], is an important and sometimes dominant factor in determining reaction rates. Thus, mixing of solutions is often reaction-limiting. We will present results from analytical and computational modeling of multi-component reactive-transport problems. The results have applications to dissolution of solid boundaries (e.g., calcite), dissolution of non-aqueous phase liquids (NAPLs) in separate phases, and mixing of saltwater and freshwater (e.g. saltwater intrusion in coastal carbonate aquifers). We quantify reaction rates, compare numerical and analytical results, and analyze under what circumstances which approach is most effective for a given problem. References: DeSimoni, M., et al. (2005), A procedure for the solution of multicomponent reactive transport problems, Water Resources Research, 41(W11410). DeSimoni, M., et al. (2007), A mixing ratios-based formulation for multicomponent reactive transport, Water Resources Research, 43(W07419). Kitanidis, P. (1994), The Concept of the Dilution Index, Water Resources Research, 30(7), 2011-2026. Kräutle, S., and P. Knabner (2007), A reduction scheme for coupled multicomponent transport-reaction problems in porous media: Generalization to problems with heterogeneous equilibrium reactions Water Resources Research, 43. Molins, S., et al. (2004), A formulation for decoupling components in reactive transport porblems, Water Resources Research, 40, 13.

Experience in using a numerical scheme with artificial viscosity at solving the Riemann problem for a multi-fluid model of multiphase flow

NASA Astrophysics Data System (ADS)

Bulovich, S. V.; Smirnov, E. M.

2018-05-01

The paper covers application of the artificial viscosity technique to numerical simulation of unsteady one-dimensional multiphase compressible flows on the base of the multi-fluid approach. The system of the governing equations is written under assumption of the pressure equilibrium between the "fluids" (phases). No interfacial exchange is taken into account. A model for evaluation of the artificial viscosity coefficient that (i) assumes identity of this coefficient for all interpenetrating phases and (ii) uses the multiphase-mixture Wood equation for evaluation of a scale speed of sound has been suggested. Performance of the artificial viscosity technique has been evaluated via numerical solution of a model problem of pressure discontinuity breakdown in a three-fluid medium. It has been shown that a relatively simple numerical scheme, explicit and first-order, combined with the suggested artificial viscosity model, predicts a physically correct behavior of the moving shock and expansion waves, and a subsequent refinement of the computational grid results in a monotonic approaching to an asymptotic time-dependent solution, without non-physical oscillations.

Small strain multiphase-field model accounting for configurational forces and mechanical jump conditions

NASA Astrophysics Data System (ADS)

Schneider, Daniel; Schoof, Ephraim; Tschukin, Oleg; Reiter, Andreas; Herrmann, Christoph; Schwab, Felix; Selzer, Michael; Nestler, Britta

2018-03-01

Computational models based on the phase-field method have become an essential tool in material science and physics in order to investigate materials with complex microstructures. The models typically operate on a mesoscopic length scale resolving structural changes of the material and provide valuable information about the evolution of microstructures and mechanical property relations. For many interesting and important phenomena, such as martensitic phase transformation, mechanical driving forces play an important role in the evolution of microstructures. In order to investigate such physical processes, an accurate calculation of the stresses and the strain energy in the transition region is indispensable. We recall a multiphase-field elasticity model based on the force balance and the Hadamard jump condition at the interface. We show the quantitative characteristics of the model by comparing the stresses, strains and configurational forces with theoretical predictions in two-phase cases and with results from sharp interface calculations in a multiphase case. As an application, we choose the martensitic phase transformation process in multigrain systems and demonstrate the influence of the local homogenization scheme within the transition regions on the resulting microstructures.

Optimal Power Flow in Multiphase Radial Networks with Delta Connections: Preprint

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

Zhao, Changhong; Dall-Anese, Emiliano; Low, Steven H.

This paper focuses on multiphase radial distribution networks with mixed wye and delta connections, and proposes a semidefinite relaxation of the AC optimal power flow (OPF) problem. Two multiphase power-flow models are developed to facilitate the integration of delta-connected generation units/loads in the OPF problem. The first model extends traditional branch flow models - and it is referred to as extended branch flow model (EBFM). The second model leverages a linear relationship between per-phase power injections and delta connections, which holds under a balanced voltage approximation (BVA). Based on these models, pertinent OPF problems are formulated and relaxed to semidefinitemore » programs (SDPs). Numerical studies on IEEE test feeders show that SDP relaxations can be solved efficiently by a generic optimization solver. Numerical evidences indicate that solving the resultant SDP under BVA is faster than under EBFM. Moreover, both SDP solutions are numerically exact with respect to voltages and branch flows. It is also shown that the SDP solution under BVA has a small optimality gap, while the BVA model is accurate in the sense that it reflects actual system voltages.« less

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

Lai, Canhai; Xu, Zhijie; Li, Tingwen

In virtual design and scale up of pilot-scale carbon capture systems, the coupled reactive multiphase flow problem must be solved to predict the adsorber’s performance and capture efficiency under various operation conditions. This paper focuses on the detailed computational fluid dynamics (CFD) modeling of a pilot-scale fluidized bed adsorber equipped with vertical cooling tubes. Multiphase Flow with Interphase eXchanges (MFiX), an open-source multiphase flow CFD solver, is used for the simulations with custom code to simulate the chemical reactions and filtered models to capture the effect of the unresolved details in the coarser mesh for simulations with reasonable simulations andmore » manageable computational effort. Previously developed two filtered models for horizontal cylinder drag, heat transfer, and reaction kinetics have been modified to derive the 2D filtered models representing vertical cylinders in the coarse-grid CFD simulations. The effects of the heat exchanger configurations (i.e., horizontal or vertical) on the adsorber’s hydrodynamics and CO2 capture performance are then examined. The simulation result subsequently is compared and contrasted with another predicted by a one-dimensional three-region process model.« less

Multi-component Wronskian solution to the Kadomtsev-Petviashvili equation

NASA Astrophysics Data System (ADS)

Xu, Tao; Sun, Fu-Wei; Zhang, Yi; Li, Juan

2014-01-01

It is known that the Kadomtsev-Petviashvili (KP) equation can be decomposed into the first two members of the coupled Ablowitz-Kaup-Newell-Segur (AKNS) hierarchy by the binary non-linearization of Lax pairs. In this paper, we construct the N-th iterated Darboux transformation (DT) for the second- and third-order m-coupled AKNS systems. By using together the N-th iterated DT and Cramer's rule, we find that the KPII equation has the unreduced multi-component Wronskian solution and the KPI equation admits a reduced multi-component Wronskian solution. In particular, based on the unreduced and reduced two-component Wronskians, we obtain two families of fully-resonant line-soliton solutions which contain arbitrary numbers of asymptotic solitons as y → ∓∞ to the KPII equation, and the ordinary N-soliton solution to the KPI equation. In addition, we find that the KPI line solitons propagating in parallel can exhibit the bound state at the moment of collision.

Extension of the quasistatic far-wing line shape theory to multicomponent anisotropic potentials

NASA Technical Reports Server (NTRS)

Ma, Q.; Tipping, R. H.

1994-01-01

The formalism developed previously for the calculation of the far-wing line shape function and the corresponding absorption coefficient using a single-component anisotropic interaction term and the binary collision and quasistatic approximations is generalized to multicomponent anisotropic potential functions. Explicit expressions are presented for several common cases, including the long-range dipole-dipole plus dipole-quadrupole interaction and a linear molecule interacting with a perturber atom. After determining the multicomponent functional representation for the interaction between the CO2 and Ar from previously published data, we calculate the theoretical line shape function and the corresponding absorption due to the nu(sub 3) band of CO2 in the frequency range 2400-2580 cm(exp -1) and compare our results with previous calculations carried out using a single-component anisotropic interaction, and with the results obtained assuming Lorentzian line shapes. The principal uncertainties in the present results, possible refinements of the theoretical formalism, and the applicability to other systems are discussed briefly.

Immiscible Systems

ERIC Educational Resources Information Center

Eckelmann, Jens; Luning, Ulrich

2013-01-01

layers of liquids. The setup of both demonstrations is such that one homogeneous layer in a multiphasic mixture separates into two new layers upon shaking. The solvents used are methanol, toluene, petroleum ether or "n"-pentane, silicone oil, perfluoroheptanes,…

Smoke Detection: Critical Element of a University Residential Fire Safety Program.

ERIC Educational Resources Information Center

Robinson, Donald A.

1979-01-01

A program at the University of Massachusetts/Amherst to assess the fire protection needs of its residential system is described. The study culminated in a multiphase fire safety improvement plan. (JMF)

Computer program determines chemical composition of physical system at equilibrium

NASA Technical Reports Server (NTRS)

Kwong, S. S.

1966-01-01

FORTRAN 4 digital computer program calculates equilibrium composition of complex, multiphase chemical systems. This is a free energy minimization method with solution of the problem reduced to mathematical operations, without concern for the chemistry involved. Also certain thermodynamic properties are determined as byproducts of the main calculations.

A Model of Psychopathology Based on an Integration of MMPI Actuarial Systems.

ERIC Educational Resources Information Center

Skinner, Harvey A.; Jackson, Douglas N.

1978-01-01

Evaluated relationships among Minnesota Multiphasic Personality Inventory (MMPI) code types from the Gilberstadt and Duker and the Marks, Seeman, and Haller systems. Superordinate types were identified: neurotic, psychotic and sociopathic. Data from the MMPI do not support the practice of highly differentiated classification within the three…

Supertoughened renewable PLA reactive multiphase blends system: phase morphology and performance.

PubMed

Zhang, Kunyu; Nagarajan, Vidhya; Misra, Manjusri; Mohanty, Amar K

2014-08-13

Multiphase blends of poly(lactic acid) (PLA), ethylene-methyl acrylate-glycidyl methacrylate (EMA-GMA) terpolymer, and a series of renewable poly(ether-b-amide) elastomeric copolymer (PEBA) were fabricated through reactive melt blending in an effort to improve the toughness of the PLA. Supertoughened PLA blend showing impact strength of ∼500 J/m with partial break impact behavior was achieved at an optimized blending ratio of 70 wt % PLA, 20 wt % EMA-GMA, and 10 wt % PEBA. Miscibility and thermal behavior of the binary blends PLA/PEBA and PLA/EMA-GMA, and the multiphase blends were also investigated through differential scanning calorimetric (DSC) and dynamic mechanical analysis (DMA). Phase morphology and fracture surface morphology of the blends were studied through scanning electron microscopy (SEM) and atomic force microscopy (AFM) to understand the strong corelation between the morphology and its significant effect on imparting tremendous improvement in toughness. A unique "multiple stacked structure" with partial encapsulation of EMA-GMA and PEBA minor phases was observed for the PLA/EMA-GMA/PEBA (70/20/10) revealing the importance of particular blend composition in enhancing the toughness. Toughening mechanism behind the supertoughened PLA blends have been established by studying the impact fractured surface morphology at different zones of fracture. Synergistic effect of good interfacial adhesion and interfacial cavitations followed by massive shear yielding of the matrix was believed to contribute to the enormous toughening effect observed in these multiphase blends.

Evaluation of tumor response to intra-arterial chemoembolization of hepatocellular carcinoma: Comparison of contrast-enhanced ultrasound with multiphase computed tomography.

PubMed

Paul, S B; Dhamija, E; Gamanagatti, S R; Sreenivas, V; Yadav, D P; Jain, S; Shalimar; Acharya, S K

2017-03-01

To compare the diagnostic accuracy of contrast-enhanced ultrasound (CEUS) with that of multiphase computed tomography (CT) in the evaluation of tumor response to transarterial chemoembolization (TACE) of hepatocellular carcinoma (HCC). Fifty patients (41 men, 9 women; mean age, 53 years±12.5 [SD]) with a total of 70 HCCs (mean size, 5cm±3 [SD]) were evaluated. Post-TACE therapeutic assessment of HCC was done at 4 weeks. Patients with TACE done earlier and reporting with suspicion for recurrence were also included. Patients with hepatic masses seen on ultrasound were enrolled and subjected to CEUS, multiphase CT and magnetic resonance imaging (MRI). Hyperenhancing area at the tumor site on arterial phase of CEUS/multiphase CT/MRI was termed as residual disease (RD), the patterns of which were described on CEUS. Diagnostic accuracies of CEUS and MPCT were compared to that of MRI that was used as the reference standard. CEUS detected RD in 43/70 HCCs (61%). RD had a heterogeneous pattern in 22/43 HCCs (51%). Sensitivities of CEUS and multiphase CT were 94% (34/36; 95% CI: 81-99%) and 50% (18/36; 95% CI: 33-67%) respectively. Significant difference in sensitivity was found between CEUS and multiphase CT (P=0.0001). CEUS and multiphase CT had 100% specificity (95% CI: 83-100%). CEUS is a useful technique for detecting RD in HCC after TACE. For long term surveillance, CEUS should be complemented with multiphase CT/MRI for a comprehensive evaluation. Copyright © 2016 Éditions françaises de radiologie. Published by Elsevier Masson SAS. All rights reserved.

Treatment of an assaultive, sensory-impaired adolescent through a multicomponent behavioral program.

PubMed

Luiselli, J K

1984-03-01

This project examined the effects of a multicomponent behavioral treatment program on assaultive behavior in a deaf, visually-impaired adolescent boy. Two types of assaultiveness were monitored: aggression towards adults and destruction of the physical environment. Intervention consisted of a token economy system, a response cost procedure, a "relaxation" technique, and skill training sessions. Through use of a multiple baseline across behaviors design, it was demonstrated that differentially reinforcing the absence of target behaviors on a weekly basis was the crucial ingredient in the treatment package. During a maintenance programming phase, the boy was gradually weaned off the token system. At 1- and 2-year follow-ups, no aggressive or destructive acts had occurred and the boy was showing improved communication and interpersonal skills.

Multicomponent Electron-Hole Superfluidity and the BCS-BEC Crossover in Double Bilayer Graphene

NASA Astrophysics Data System (ADS)

Conti, S.; Perali, A.; Peeters, F. M.; Neilson, D.

2017-12-01

Superfluidity in coupled electron-hole sheets of bilayer graphene is predicted here to be multicomponent because of the conduction and valence bands. We investigate the superfluid crossover properties as functions of the tunable carrier densities and the tunable energy band gap Eg. For small band gaps there is a significant boost in the two superfluid gaps, but the interaction-driven excitations from the valence to the conduction band can weaken the superfluidity, even blocking the system from entering the Bose-Einstein condensate (BEC) regime at low densities. At a given larger density, a band gap Eg˜80 - 120 meV can carry the system into the strong-pairing multiband BCS-BEC crossover regime, the optimal range for realization of high-Tc superfluidity.

Shock Driven Multiphase Instabilities in Scramjet Applications

NASA Astrophysics Data System (ADS)

McFarland, Jacob

2016-11-01

Shock driven multiphase instabilities (SDMI) arise in many applications from dust production in supernovae to ejecta distribution in explosions. At the limit of small, fast reacting particles the instability evolves similar to the Richtmyer-Meshkov (RM) instability. However, as additional particle effects such as lag, phase change, and collisions become significant the required parameter space becomes much larger and the instability deviates significantly from the RM instability. In scramjet engines the SDMI arises during a cold start where liquid fuel droplets are injected and processed by shock and expansion waves. In this case the particle evaporation and mixing is important to starting and sustaining combustion, but the particles are large and slow to react, creating significant multiphase effects. This talk will examine multiphase mixing in scramjet relevant conditions in 3D multiphase hydrodynamic simulations using the FLASH code from the University of Chicago FLASH center.

Healthcare team training programs aimed at improving depression management in primary care: A systematic review.

PubMed

Vöhringer, Paul A; Castro, Ariel; Martínez, Pablo; Tala, Álvaro; Medina, Simón; Rojas, Graciela

2016-08-01

Although evidence from Latin America and the Caribbean suggests that depression can be effectively treated in primary care settings, depression management remains unevenly performed. This systematic review evaluates all the international evidence on healthcare team training programs aimed at improving the outcomes of patients with depression. Three databases were searched for articles in English or Spanish indexed up to November 20, 2014. Studies were included if they fulfilled the following conditions: clinical trials, meta-analyses, or systematic reviews; and if they evaluated a training or educational program intended to improve the management of depression by primary healthcare teams, and assessed change in depressive symptoms, diagnosis or response rates, referral rates, patients' satisfaction and/or quality of life, and the effectiveness of treatments. Nine studies were included in this systematic review. Five trials tested the effectiveness of multi-component interventions (training included), and the remaining studies evaluated the effectiveness of specific training programs for depression management. All the studies that implemented multi-component interventions were efficacious, and half of the training trials were shown to be effective. Contribution of training programs alone to the effectiveness of multi-component interventions is yet to be established. The lack of specificity regarding health providers' characteristics might be a confounding factor. The review conducted suggests that stand-alone training programs are less effective than multi-component interventions. In applying the evidence gathered from developed countries to Latin America and the Caribbean, these training programs must consider and address local conditions of mental health systems, and therefore multi-component interventions may be warranted. Copyright © 2016 Elsevier B.V. All rights reserved.

Fluid physics, thermodynamics, and heat transfer experiments in space

NASA Technical Reports Server (NTRS)

Dodge, F. T.; Abramson, H. N.; Angrist, S. W.; Catton, I.; Churchill, S. W.; Mannheimer, R. J.; Otrach, S.; Schwartz, S. H.; Sengers, J. V.

1975-01-01

An overstudy committee was formed to study and recommend fundamental experiments in fluid physics, thermodynamics, and heat transfer for experimentation in orbit, using the space shuttle system and a space laboratory. The space environment, particularly the low-gravity condition, is an indispensable requirement for all the recommended experiments. The experiments fell broadly into five groups: critical-point thermophysical phenomena, fluid surface dynamics and capillarity, convection at reduced gravity, non-heated multiphase mixtures, and multiphase heat transfer. The Committee attempted to assess the effects of g-jitter and other perturbations of the gravitational field on the conduct of the experiments. A series of ground-based experiments are recommended to define some of the phenomena and to develop reliable instrumentation.

Proceedings of the 15th International Symposium on Shock Waves and Shock Tubes

NASA Astrophysics Data System (ADS)

Bershader, Daniel; Hanson, Ronald

1986-09-01

One hundred ten papers were presented in 32 sessions. Topics included: The application of Hook-method spectroscopy to the diagnosis of shock-heated gases. The nonintrusive destruction of kidney stones by underwater focused shock waves. Several of the papers reflect the recent and continuing interest in shock wave phenomena in dusty gases and other multiphase and heterogeneous systems, including chemically reactive configurations. The major subject areas were: shock propagation and interactions; shock-general chemical kinetics; shock computation, modeling, and stability problems; shock wave aerodynamics; experimental methods; shocks in multiphase and heterogeneous media; high energy gas excitation and wave phenomena; and technical applications and shocks in condensed matter.

Numerical simulation of three-component multiphase flows at high density and viscosity ratios using lattice Boltzmann methods

NASA Astrophysics Data System (ADS)

Haghani Hassan Abadi, Reza; Fakhari, Abbas; Rahimian, Mohammad Hassan

2018-03-01

In this paper, we propose a multiphase lattice Boltzmann model for numerical simulation of ternary flows at high density and viscosity ratios free from spurious velocities. The proposed scheme, which is based on the phase-field modeling, employs the Cahn-Hilliard theory to track the interfaces among three different fluid components. Several benchmarks, such as the spreading of a liquid lens, binary droplets, and head-on collision of two droplets in binary- and ternary-fluid systems, are conducted to assess the reliability and accuracy of the model. The proposed model can successfully simulate both partial and total spreadings while reducing the parasitic currents to the machine precision.

Metal-organic materials (MOMs) for adsorption of polarizable gases and methods of using MOMs

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

Zaworotko, Michael; Mohamed, Mona H.; Elsaidi, Sameh

Embodiments of the present disclosure provide for multi-component metal-organic materials (MOMs), systems including the MOM, systems for separating components in a gas, methods of separating polarizable gases from a gas mixture, and the like.

Multiphase Fluid Dynamics for Spacecraft Applications

NASA Astrophysics Data System (ADS)

Shyy, W.; Sim, J.

2011-09-01

Multiphase flows involving moving interfaces between different fluids/phases are observed in nature as well as in a wide range of engineering applications. With the recent development of high fidelity computational techniques, a number of challenging multiphase flow problems can now be computed. We introduce the basic notion of the main categories of multiphase flow computation; Lagrangian, Eulerian, and Eulerian-Lagrangian techniques to represent and follow interface, and sharp and continuous interface methods to model interfacial dynamics. The marker-based adaptive Eulerian-Lagrangian method, which is one of the most popular methods, is highlighted with microgravity and space applications including droplet collision and spacecraft liquid fuel tank surface stability.

Single and multiphase inclusions in metapelitic garnets of the Rhodope Metamorphic Province, NE Greece.

PubMed

Mposkos, Evripidis; Perraki, Maria; Palikari, Sarra

2009-08-01

Single and multiphase inclusions in garnet porphyroblasts from the diamond-bearing pelitic gneisses were studied by means of combined Raman Spectroscopy and Electron Scanning Microscopy (SEM/EDX). They are either randomly distributed or with preferred orientation within the garnet host and their dimensions vary from less than 5 up to 60 microm. In the single-phase inclusions quartz, rutile, kyanite and graphite dominate. Biotite, zircon, apatite, monazite and allanite are also common. Two types of multiphase inclusions were recognized, hydrous silicate (Type I) and silicate-carbonate (Type II) ones. The carbon-bearing multiphase inclusions predominantly consist of Mg-siderite+graphite+CO(2)+muscovite+quartz formed by a high density carboniferous fluid rich in Fe, Mg, Si and less Ca, Mn, Al and K trapped in the growing garnet in a prograde stage of metamorphism at high-pressure (HP) conditions. The carbon-free multiphase inclusions predominantly consist of biotite+quartz+rutile+/-kyanite+muscovite formed through decompression-dehydration/melting reactions of pre-existing phengite. Single and multiphase inclusions are characterized by polygonal to negative crystal shape formed by dissolution-reprecipitation mechanism between the garnet host and the inclusions during the long lasting cooling period (>100 Ma) of the Kimi Complex.

Smoothed Particle Hydrodynamics: A consistent model for interfacial multiphase fluid flow simulations

NASA Astrophysics Data System (ADS)

Krimi, Abdelkader; Rezoug, Mehdi; Khelladi, Sofiane; Nogueira, Xesús; Deligant, Michael; Ramírez, Luis

2018-04-01

In this work, a consistent Smoothed Particle Hydrodynamics (SPH) model to deal with interfacial multiphase fluid flows simulation is proposed. A modification to the Continuum Stress Surface formulation (CSS) [1] to enhance the stability near the fluid interface is developed in the framework of the SPH method. A non-conservative first-order consistency operator is used to compute the divergence of stress surface tensor. This formulation benefits of all the advantages of the one proposed by Adami et al. [2] and, in addition, it can be applied to more than two phases fluid flow simulations. Moreover, the generalized wall boundary conditions [3] are modified in order to be well adapted to multiphase fluid flows with different density and viscosity. In order to allow the application of this technique to wall-bounded multiphase flows, a modification of generalized wall boundary conditions is presented here for using the SPH method. In this work we also present a particle redistribution strategy as an extension of the damping technique presented in [3] to smooth the initial transient phase of gravitational multiphase fluid flow simulations. Several computational tests are investigated to show the accuracy, convergence and applicability of the proposed SPH interfacial multiphase model.

PREFACE: The 6th International Symposium on Measurement Techniques for Multiphase Flows

NASA Astrophysics Data System (ADS)

Okamoto, Koji; Murai, Yuichi

2009-02-01

Research on multi-phase flows is very important for industrial applications, including power stations, vehicles, engines, food processing, and so on. Also, from the environmental viewpoint, multi-phase flows need to be investigated to overcome global warming. Multi-phase flows originally have non-linear features because they are multi-phased. The interaction between the phases plays a very interesting role in the flows. The non-linear interaction causes the multi-phase flows to be very difficult to understand phenomena. The International Symposium on Measurement Techniques for Multi-phase Flows (ISMTMF) is a unique symposium. The target of the symposium is to exchange the state-of-the-art knowledge on the measurement techniques for non-linear multi-phase flows. Measurement technique is the key technology to understanding non-linear phenomena. The ISMTMF began in 1995 in Nanjing, China. The symposium has continuously been held every two or three years. The ISMTMF-2008 was held in Okinawa, Japan as the 6th symposium of ISMTMF on 15-17 December 2008. Okinawa has a long history as the Ryukyus Kingdom. China and Japan have had cultural and economic exchanges through Okinawa for more than 1000 years. Please enjoy Okinawa and experience its history to enhance our international communication. The present symposium was attended by 124 participants, the program included 107 contributions with 5 plenary lectures, 2 keynote lectures, and 100 oral regular paper presentations. The topics include, besides the ordinary measurement techniques for multiphase flows, acoustic and electric sensors, bubbles and microbubbles, computed tomography, gas-liquid interface, laser-imaging and PIV, oil/coal/drop and spray, solid and powder, spectral and multi-physics. This volume includes the presented papers at ISMTMF-2008. In addition to this volume, ten selected papers will be published in a special issue of Measurement Science and Technology. We would like to express special thanks to all the participants and the contributors to the symposium, and also to the supporting organizations; The Japanese Society for Multiphase Flow, The Chinese Society for Measurement, National Natural Science Foundation of China, The Chinese Academy of Science, and University of the Ryukyus, Okinawa, Japan. Koji Okamoto Chair of 6th ISMTMF and proceedings editor The University of Tokyo, Japan Yuichi Murai Proceedings co-editor Hokkaido University, Japan

Dependence of growth of the phases of multiphase binary systems on the diffusion parameters

NASA Astrophysics Data System (ADS)

Molokhina, L. A.; Rogalin, V. E.; Filin, S. A.; Kaplunov, I. A.

2017-12-01

A mathematical model of the diffusion interaction of a binary system with several phases on the equilibrium phase diagram is presented. The theoretical and calculated dependences of the layer thickness of each phase in the multiphase diffusion zone on the isothermal annealing time and the ratio of the diffusion parameters in the neighboring phases with an unlimited supply of both components were constructed. The phase formation and growth in the diffusion zone during "reactive" diffusion corresponds to the equilibrium state diagram for two components, and the order of their appearance in the diffusion zone depends only on the ratio of the diffusion parameters in the phases themselves and on the duration of the incubation periods. The dependence of phase appearance on the incubation periods, annealing time, and difference in the movement rates of the components across the interface boundaries was obtained. An example of the application of the model for processing the experimental data on phase growth in a two-component three-phase system was given.

Methods, systems and apparatus for controlling third harmonic voltage when operating a multi-space machine in an overmodulation region

DOEpatents

Perisic, Milun; Kinoshita, Michael H; Ranson, Ray M; Gallegos-Lopez, Gabriel

2014-06-03

Methods, system and apparatus are provided for controlling third harmonic voltages when operating a multi-phase machine in an overmodulation region. The multi-phase machine can be, for example, a five-phase machine in a vector controlled motor drive system that includes a five-phase PWM controlled inverter module that drives the five-phase machine. Techniques for overmodulating a reference voltage vector are provided. For example, when the reference voltage vector is determined to be within the overmodulation region, an angle of the reference voltage vector can be modified to generate a reference voltage overmodulation control angle, and a magnitude of the reference voltage vector can be modified, based on the reference voltage overmodulation control angle, to generate a modified magnitude of the reference voltage vector. By modifying the reference voltage vector, voltage command signals that control a five-phase inverter module can be optimized to increase output voltages generated by the five-phase inverter module.

A locally conservative stabilized continuous Galerkin finite element method for two-phase flow in poroelastic subsurfaces

NASA Astrophysics Data System (ADS)

Deng, Q.; Ginting, V.; McCaskill, B.; Torsu, P.

2017-10-01

We study the application of a stabilized continuous Galerkin finite element method (CGFEM) in the simulation of multiphase flow in poroelastic subsurfaces. The system involves a nonlinear coupling between the fluid pressure, subsurface's deformation, and the fluid phase saturation, and as such, we represent this coupling through an iterative procedure. Spatial discretization of the poroelastic system employs the standard linear finite element in combination with a numerical diffusion term to maintain stability of the algebraic system. Furthermore, direct calculation of the normal velocities from pressure and deformation does not entail a locally conservative field. To alleviate this drawback, we propose an element based post-processing technique through which local conservation can be established. The performance of the method is validated through several examples illustrating the convergence of the method, the effectivity of the stabilization term, and the ability to achieve locally conservative normal velocities. Finally, the efficacy of the method is demonstrated through simulations of realistic multiphase flow in poroelastic subsurfaces.

Molecular-Level Control of Ciclopirox Olamine Release from Poly(ethylene oxide)-Based Mucoadhesive Buccal Films: Exploration of Structure-Property Relationships with Solid-State NMR.

PubMed

Urbanova, Martina; Gajdosova, Marketa; Steinhart, Miloš; Vetchy, David; Brus, Jiri

2016-05-02

Mucoadhesive buccal films (MBFs) provide an innovative way to facilitate the efficient site-specific delivery of active compounds while simultaneously separating the lesions from the environment of the oral cavity. The structural diversity of these complex multicomponent and mostly multiphase systems as well as an experimental strategy for their structural characterization at molecular scale with atomic resolution were demonstrated using MBFs of ciclopirox olamine (CPX) in a poly(ethylene oxide) (PEO) matrix as a case study. A detailed description of each component of the CPX/PEO films was followed by an analysis of the relationships between each component and the physicochemical properties of the MBFs. Two distinct MBFs were identified by solid-state NMR spectroscopy: (i) at low API (active pharmaceutical ingredient) loading, a nanoheterogeneous solid solution of CPX molecularly dispersed in an amorphous PEO matrix was created; and (ii) at high API loading, a pseudoco-crystalline system containing CPX-2-aminoethanol nanocrystals incorporated into the interlamellar space of a crystalline PEO matrix was revealed. These structural differences were found to be closely related to the mechanical and physicochemical properties of the prepared MBFs. At low API loading, the polymer chains of PEO provided sufficient quantities of binding sites to stabilize the CPX that was molecularly dispersed in the highly amorphous semiflexible polymer matrix. Consequently, the resulting MBFs were soft, with low tensile strength, plasticity, and swelling index, supporting rapid drug release. At high CPX content, however, the active compounds and the polymer chains simultaneously cocrystallized, leaving the CPX to form nanocrystals grown directly inside the spherulites of PEO. Interfacial polymer-drug interactions were thus responsible not only for the considerably enhanced plasticity of the system but also for the exclusive crystallization of CPX in the thermodynamically most stable polymorphic form, Form I, which exhibited reduced dissolution kinetics. The bioavailability of CPX olamine formulated as PEO-based MBFs can thus be effectively controlled by inducing the complete dispersion and/or microsegregation and nanocrystallization of CPX olamine in the polymer matrix. Solid-state NMR spectroscopy is an efficient tool for exploring structure-property relationships in these complex pharmaceutical solids.

Development of a custom-designed echo particle image velocimetry system for multi-component hemodynamic measurements: system characterization and initial experimental results

NASA Astrophysics Data System (ADS)

Liu, Lingli; Zheng, Hairong; Williams, Logan; Zhang, Fuxing; Wang, Rui; Hertzberg, Jean; Shandas, Robin

2008-03-01

We have recently developed an ultrasound-based velocimetry technique, termed echo particle image velocimetry (Echo PIV), to measure multi-component velocity vectors and local shear rates in arteries and opaque fluid flows by identifying and tracking flow tracers (ultrasound contrast microbubbles) within these flow fields. The original system was implemented on images obtained from a commercial echocardiography scanner. Although promising, this system was limited in spatial resolution and measurable velocity range. In this work, we propose standard rules for characterizing Echo PIV performance and report on a custom-designed Echo PIV system with increased spatial resolution and measurable velocity range. Then we employed this system for initial measurements on tube flows, rotating flows and in vitro carotid artery and abdominal aortic aneurysm (AAA) models to acquire the local velocity and shear rate distributions in these flow fields. The experimental results verified the accuracy of this technique and indicated the promise of the custom Echo PIV system in capturing complex flow fields non-invasively.

Developpement de techniques numeriques pour l'estimation, la modelisation et la prediction de proprietes thermodynamiques et structurales de systems metalliques a fort ordonnancement chimique

NASA Astrophysics Data System (ADS)

Harvey, Jean-Philippe

In this work, the possibility to calculate and evaluate with a high degree of precision the Gibbs energy of complex multiphase equilibria for which chemical ordering is explicitly and simultaneously considered in the thermodynamic description of solid (short range order and long range order) and liquid (short range order) metallic phases is studied. The cluster site approximation (CSA) and the cluster variation method (CVM) are implemented in a new minimization technique of the Gibbs energy of multicomponent and multiphase systems to describe the thermodynamic behaviour of metallic solid solutions showing strong chemical ordering. The modified quasichemical model in the pair approximation (MQMPA) is also implemented in the new minimization algorithm presented in this work to describe the thermodynamic behaviour of metallic liquid solutions. The constrained minimization technique implemented in this work consists of a sequential quadratic programming technique based on an exact Newton’s method (i.e. the use of exact second derivatives in the determination of the Hessian of the objective function) combined to a line search method to identify a direction of sufficient decrease of the merit function. The implementation of a new algorithm to perform the constrained minimization of the Gibbs energy is justified by the difficulty to identify, in specific cases, the correct multiphase assemblage of a system where the thermodynamic behaviour of the equilibrium phases is described by one of the previously quoted models using the FactSage software (ex.: solid_CSA+liquid_MQMPA; solid1_CSA+solid2_CSA). After a rigorous validation of the constrained Gibbs energy minimization algorithm using several assessed binary and ternary systems found in the literature, the CVM and the CSA models used to describe the energetic behaviour of metallic solid solutions present in systems with key industrial applications such as the Cu-Zr and the Al-Zr systems are parameterized using fully consistent thermodynamic an structural data generated from a Monte Carlo (MC) simulator also implemented in the framework of this project. In this MC simulator, the modified embedded atom model in the second nearest neighbour formalism (MEAM-2NN) is used to describe the cohesive energy of each studied structure. A new Al-Zr MEAM-2NN interatomic potential needed to evaluate the cohesive energy of the condensed phases of this system is presented in this work. The thermodynamic integration (TI) method implemented in the MC simulator allows the evaluation of the absolute Gibbs energy of the considered solid or liquid structures. The original implementation of the TI method allowed us to evaluate theoretically for the first time all the thermodynamic mixing contributions (i.e., mixing enthalpy and mixing entropy contributions) of a metallic liquid (Cu-Zr and Al-Zr) and of a solid solution (face-centered cubic (FCC) Al-Zr solid solution) described by the MEAM-2NN. Thermodynamic and structural data obtained from MC and molecular dynamic simulations are then used to parameterize the CVM for the Al-Zr FCC solid solution and the MQMPA for the Al-Zr and the Cu-Zr liquid phase respectively. The extended thermodynamic study of these systems allow the introduction of a new type of configuration-dependent excess parameters in the definition of the thermodynamic function of solid solutions described by the CVM or the CSA. These parameters greatly improve the precision of these thermodynamic models based on experimental evidences found in the literature. A new parameterization approach of the MQMPA model of metallic liquid solutions is presented throughout this work. In this new approach, calculated pair fractions obtained from MC/MD simulations are taken into account as well as configuration-independent volumetric relaxation effects (regular like excess parameters) in order to parameterize precisely the Gibbs energy function of metallic melts. The generation of a complete set of fully consistent thermodynamic, physical and structural data for solid, liquid, and stoichiometric compounds and the subsequent parameterization of their respective thermodynamic model lead to the first description of the complete Al-Zr phase diagram in the range of composition [0 ≤ XZr ≤ 5 / 9] based on theoretical and fully consistent thermodynamic properties. MC and MD simulations are performed for the Al-Zr system to define for the first time the precise thermodynamic behaviour of the amorphous phase for its entire range of composition. Finally, all the thermodynamic models for the liquid phase, the FCC solid solution and the amorphous phase are used to define conditions based on thermodynamic and volumetric considerations that favor the amorphization of Al-Zr alloys.

Load-Flow in Multiphase Distribution Networks: Existence, Uniqueness, Non-Singularity, and Linear Models

DOE PAGES

Bernstein, Andrey; Wang, Cong; Dall'Anese, Emiliano; ...

2018-01-01

This paper considers unbalanced multiphase distribution systems with generic topology and different load models, and extends the Z-bus iterative load-flow algorithm based on a fixed-point interpretation of the AC load-flow equations. Explicit conditions for existence and uniqueness of load-flow solutions are presented. These conditions also guarantee convergence of the load-flow algorithm to the unique solution. The proposed methodology is applicable to generic systems featuring (i) wye connections; (ii) ungrounded delta connections; (iii) a combination of wye-connected and delta-connected sources/loads; and, (iv) a combination of line-to-line and line-to-grounded-neutral devices at the secondary of distribution transformers. Further, a sufficient condition for themore » non-singularity of the load-flow Jacobian is proposed. Finally, linear load-flow models are derived, and their approximation accuracy is analyzed. Theoretical results are corroborated through experiments on IEEE test feeders.« less

Modeling flows of heterogeneous media in pipelines when substantiating operating conditions of hydrocarbon field transportation systems

NASA Astrophysics Data System (ADS)

Dudin, S. M.; Novitskiy, D. V.

2018-05-01

The works of researchers at VNIIgaz, Giprovostokneft, Kuibyshev NIINP, Grozny Petroleum Institute, etc., are devoted to modeling heterogeneous medium flows in pipelines under laboratory conditions. In objective consideration, the empirical relationships obtained and the calculation procedures for pipelines transporting multiphase products are a bank of experimental data on the problem of pipeline transportation of multiphase systems. Based on the analysis of the published works, the main design requirements for experimental installations designed to study the flow regimes of gas-liquid flows in pipelines were formulated, which were taken into account by the authors when creating the experimental stand. The article describes the results of experimental studies of the flow regimes of a gas-liquid mixture in a pipeline, and also gives a methodological description of the experimental installation. Also the article describes the software of the experimental scientific and educational stand developed with the participation of the authors.

Load-Flow in Multiphase Distribution Networks: Existence, Uniqueness, Non-Singularity, and Linear Models

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

Bernstein, Andrey; Wang, Cong; Dall'Anese, Emiliano

This paper considers unbalanced multiphase distribution systems with generic topology and different load models, and extends the Z-bus iterative load-flow algorithm based on a fixed-point interpretation of the AC load-flow equations. Explicit conditions for existence and uniqueness of load-flow solutions are presented. These conditions also guarantee convergence of the load-flow algorithm to the unique solution. The proposed methodology is applicable to generic systems featuring (i) wye connections; (ii) ungrounded delta connections; (iii) a combination of wye-connected and delta-connected sources/loads; and, (iv) a combination of line-to-line and line-to-grounded-neutral devices at the secondary of distribution transformers. Further, a sufficient condition for themore » non-singularity of the load-flow Jacobian is proposed. Finally, linear load-flow models are derived, and their approximation accuracy is analyzed. Theoretical results are corroborated through experiments on IEEE test feeders.« less

Measurement of Surface Tension of Solid Cu by Improved Multiphase Equilibrium

NASA Astrophysics Data System (ADS)

Nakamoto, Masashi; Liukkonen, Matti; Friman, Michael; Heikinheimo, Erkki; Hämäläinen, Marko; Holappa, Lauri

2008-08-01

The surface tension of solid Cu was measured with the multiphase equilibrium (MPE) method in a Pb-Cu system at 700 °C, 800 °C, and 900 °C. A special focus was on the measurement of angles involved in MPE. First, the effect of reading error in each angle measurement on the final result of surface tension of solid was simulated. It was found that the two groove measurements under atmosphere conditions are the primary sources of error in the surface tension of solid in the present system. Atomic force microscopy (AFM) was applied to these angle measurements as a new method with high accuracy. The obtained surface-tension values of solid Cu in the present work were 1587, 1610, and 1521 mN/m at 700 °C, 800 °C, and 900 °C, respectively, representing reasonable temperature dependence.

Device and method for measuring multi-phase fluid flow and density of fluid in a conduit having a gradual bend

DOEpatents

Ortiz, M.G.; Boucher, T.J.

1998-10-27

A system is described for measuring fluid flow in a conduit having a gradual bend or arc, and a straight section. The system includes pressure transducers, one or more disposed in the conduit on the outside of the arc, and one disposed in the conduit in a straight section thereof. The pressure transducers measure the pressure of fluid in the conduit at the locations of the pressure transducers and this information is used by a computational device to calculate fluid flow rate in the conduit. For multi-phase fluid, the density of the fluid is measured by another pair of pressure transducers, one of which is located in the conduit elevationally above the other. The computation device then uses the density measurement along with the fluid pressure measurements, to calculate fluid flow. 1 fig.

Multiphase Flow Technology Impacts on Thermal Control Systems for Exploration

NASA Technical Reports Server (NTRS)

McQuillen, John; Sankovic, John; Lekan, Jack

2006-01-01

The Two-Phase Flow Facility (TPHIFFy) Project focused on bridging the critical knowledge gap by developing and demonstrating critical multiphase fluid products for advanced life support, thermal management and power conversion systems that are required to enable the Vision for Space Exploration. Safety and reliability of future systems will be enhanced by addressing critical microgravity fluid physics issues associated with flow boiling, condensation, phase separation, and system stability. The project included concept development, normal gravity testing, and reduced gravity aircraft flight campaigns, in preparation for the development of a space flight experiment implementation. Data will be utilized to develop predictive models that could be used for system design and operation. A single fluid, two-phase closed thermodynamic loop test bed was designed, assembled and tested. The major components in this test bed include: a boiler, a condenser, a phase separator and a circulating pump. The test loop was instrumented with flow meters, thermocouples, pressure transducers and both high speed and normal speed video cameras. A low boiling point surrogate fluid, FC-72, was selected based on scaling analyses using preliminary designs for operational systems. Preliminary results are presented which include flow regime transitions and some observations regarding system stability.

Simulation of Liquid Droplet in Air and on a Solid Surface

NASA Astrophysics Data System (ADS)

Launglucknavalai, Kevin

Although multiphase gas and liquid phenomena occurs widely in engineering problems, many aspects of multiphase interaction like within droplet dynamics are still not quantified. This study aims to qualify the Lattice Boltzmann (LBM) Interparticle Potential multiphase computational method in order to build a foundation for future multiphase research. This study consists of two overall sections. The first section in Chapter 2 focuses on understanding the LBM method and Interparticle Potential model. It outlines the LBM method and how it relates to macroscopic fluid dynamics. The standard form of LBM is obtained. The perturbation solution obtaining the Navier-Stokes equations from the LBM equation is presented. Finally, the Interparticle Potential model is incorporated into the numerical LBM method. The second section in Chapter 3 presents the verification and validation cases to confirm the behavior of the single-phase and multiphase LBM models. Experimental and analytical results are used briefly to compare with numerical results when possible using Poiseuille channel flow and flow over a cylinder. While presenting the numerical results, practical considerations like converting LBM scale variables to physical scale variables are considered. Multiphase results are verified using Laplaces law and artificial behaviors of the model are explored. In this study, a better understanding of the LBM method and Interparticle Potential model is gained. This allows the numerical method to be used for comparison with experimental results in the future and provides a better understanding of multiphase physics overall.

A novel anti-frictional multiphase layer produced by plasma nitriding of PVD titanium coated ZL205A aluminum alloy

NASA Astrophysics Data System (ADS)

Lu, C.; Yao, J. W.; Wang, Y. X.; Zhu, Y. D.; Guo, J. H.; Wang, Y.; Fu, H. Y.; Chen, Z. B.; Yan, M. F.

2018-02-01

The heat treatment (consisting of solid solution and aging), is integrated with the nitriding process of titanium coated ZL205A aluminum alloy to improve the surface and matrix mechanical properties simultaneously. Two-step duplex treatment is adopted to prepare the gradient multiphase layer on a magnesium-free ZL205A aluminum-copper based alloy. Firstly, pure titanium film is deposited on the aluminum alloy substrate using magnetron sputtering. Secondly, the Ti-coated specimen is nitrided at the solid solution temperature of the substrate alloying elements in a gas mixture of N2 and H2 and aged at 175 °C. The microstructure evolution, microhardness as well as the wear resistance of obtained multiphase layers are investigated by means of scanning electron microscopy (SEM) equipped with energy dispersive X-ray spectrometer (EDS), microhardness tester and pin-on-disc tribometer. The multiphase layer, dominated by TiN0.3 or Al3Ti, is prepared with significantly increased layer depth after duplex treatment. The surface hardness of multiphase layer is remarkably improved from 23.7HV to 457HV. The core matrix hardness is also increased to 65HV after aging. The wear rate of the multiphase layer decreases about 55.22% and 49.28% in comparison with the aged and Ti coated specimens, respectively. The predominant wear mechanism for the multiphase layer is abrasive and oxidation, but severe adhesive wear for the aged and Ti coated specimens.

Quaternary borocarbides: New class of intermetallic superconductors

NASA Technical Reports Server (NTRS)

Nagarajan, R.; Gupta, L. C.; Dhar, S. K.; Mazumdar, Chandan; Hossain, Zakir; Godart, C.; Levy-Clement, C.; Padalia, B. D.; Vijayaraghavan, R.

1995-01-01

Our recent discovery of superconductivity (SC) in the four-element multiphase Y-Ni-B-C system at an elevated temperature (TC approximately 12 K) has opened up great possibilities of identifying new superconducting materials and generating new physics. Superconductivity with Tc (greater than 20 K) higher than that known so far in bulk intermetallics has been observed in multiphase Y-Pd-B-C and Th-Pd-B-C systems and a family of single phase materials RENi2B2C (RE= Y, rare earth) have been found. Our investigations show YNi2B2C to be a strong coupling hard type-II SC. HC2(T) exhibits an unconventional temperature dependence. Specific heat and magnetization studies reveal coexistence of SC and magnetism in RNi2B2C (R = Ho, Er, Tm) with magnetic ordering temperatures (Tc approximately 8 K, 10.5 K, 11 K and Tm approximately 5 K, approximately 7K, approximately 4 K respectively) that are remarkably higher than those in known magnetic superconductors . Mu-SR studies suggest the possibility of Ni atoms carrying a moment in TmNi2B2C. Resistivity results suggests a double re-entrant transition (SC-normal-SC) in HoNi2B2C. RENi2B2C (RE = Ce, Nd, Gd) do not show SC down to 4.2 K. The Nd- and Gd-compounds order magnetically at approximately 4.5 K and approximately 19.5 K, respectively. Two SC transitions are observed in Y-Pd-B-C (Tc approximately 22 K, approximately 10 K) and in Th-Pd-B-C (Tc approximately 20 K, approximately 14 K) systems, which indicate that there are at least two structures which support SC in these borocarbides. In our multiphase ThNi2B2C we observe SC at approximately 6 K. No SC was seen in multiphase UNi2B2C, UPd2B2C, UOs2Ge2C and UPd5B3C(0.35) down to 4.2 K. Tc in YNi2B2C is depressed by substitutions (Gd, Th and U at Y-sites and Fe, Co at Ni-sites).

Multi-component sorption of Pb(II), Cu(II) and Zn(II) onto low-cost mineral adsorbent.

PubMed

Prasad, Murari; Xu, Huan-yan; Saxena, Sona

2008-06-15

Multi-component sorption studies were carried out for attenuation of divalent heavy metal cations (Pb2+, Cu2+ and Zn2+) by a low-cost mineral adsorbent from the aqueous solution. Kinetic and equilibrium batch-type sorption experiments were conducted under variable conditions for multi-component using low-grade (<12%P2O5) phosphate rock. Percentage of multiple heavy metal species removal increases with decreasing initial metals concentration and particle size. The equilibrium data were well described to a lesser extent by Freundlich model but Langmuir model seemed to be more appropriate with the fixation capacity obtained at room temperature for Pb2+, Cu2+ and Zn2+ was 227.2, 769.2 and 666.6 micromol g(-1), respectively. Two simple kinetic models were tested to investigate the adsorption mechanism. Rate constants have been found nearly constant at all metal concentrations for first order. The comparison of adsorption capacity of low-grade phosphate rock decreases in multi-component system as compared to single component due to ionic interactions. X-ray powder diffraction (XRPD) technique was used to ascertain the formation of new metal phases followed by surface complexation. Used adsorbents have been converted into a value added product by utilizing innovative Zero-waste concept to solve the used adsorbents disposal problem and thus protecting the environment.

iTOUGH2 V6.5

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

Finsterle, Stefan A.

2010-11-01

iTOUGH2 (inverse TOUGH2) provides inverse modeling capabilities for TOUGH2, a simulator for multi-dimensional , multi-phase, multi-component, non-isothermal flow and transport in fractured porous media. It performs sensitivity analysis, parameter estimation, and uncertainty propagation, analysis in geosciences and reservoir engineering and other application areas. It supports a number of different combination of fluids and components [equation-of-state (EOS) modules]. In addition, the optimization routines implemented in iTOUGH2 can also be used or sensitivity analysis, automatic model calibration, and uncertainty quantification of any external code that uses text-based input and output files. This link is achieved by means of the PEST application programmingmore » interface. iTOUGH2 solves the inverse problem by minimizing a non-linear objective function of the weighted differences between model output and the corresponding observations. Multiple minimization algorithms (derivative fee, gradient-based and second-order; local and global) are available. iTOUGH2 also performs Latin Hypercube Monte Carlos simulation for uncertainty propagation analysis. A detailed residual and error analysis is provided. This upgrade includes new EOS modules (specifically EOS7c, ECO2N and TMVOC), hysteretic relative permeability and capillary pressure functions and the PEST API. More details can be found at http://esd.lbl.gov/iTOUGH2 and the publications cited there. Hardware Req.: Multi-platform; Related/auxiliary software PVM (if running in parallel).« less

Relationship Between Solidification Microstructure and Hot Cracking Susceptibility for Continuous Casting of Low-Carbon and High-Strength Low-Alloyed Steels: A Phase-Field Study

NASA Astrophysics Data System (ADS)

Böttger, B.; Apel, M.; Santillana, B.; Eskin, D. G.

2013-08-01

Hot cracking is one of the major defects in continuous casting of steels, frequently limiting the productivity. To understand the factors leading to this defect, microstructure formation is simulated for a low-carbon and two high-strength low-alloyed steels. 2D simulation of the initial stage of solidification is performed in a moving slice of the slab using proprietary multiphase-field software and taking into account all elements which are expected to have a relevant effect on the mechanical properties and structure formation during solidification. To account for the correct thermodynamic and kinetic properties of the multicomponent alloy grades, the simulation software is online coupled to commercial thermodynamic and mobility databases. A moving-frame boundary condition allows traveling through the entire solidification history starting from the slab surface, and tracking the morphology changes during growth of the shell. From the simulation results, significant microstructure differences between the steel grades are quantitatively evaluated and correlated with their hot cracking behavior according to the Rappaz-Drezet-Gremaud (RDG) hot cracking criterion. The possible role of the microalloying elements in hot cracking, in particular of traces of Ti, is analyzed. With the assumption that TiN precipitates trigger coalescence of the primary dendrites, quantitative evaluation of the critical strain rates leads to a full agreement with the observed hot cracking behavior.

iTOUGH2 v7.1

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

FINSTERLE, STEFAN; JUNG, YOOJIN; KOWALSKY, MICHAEL

2016-09-15

iTOUGH2 (inverse TOUGH2) provides inverse modeling capabilities for TOUGH2, a simulator for multi-dimensional, multi-phase, multi-component, non-isothermal flow and transport in fractured porous media. iTOUGH2 performs sensitivity analyses, data-worth analyses, parameter estimation, and uncertainty propagation analyses in geosciences and reservoir engineering and other application areas. iTOUGH2 supports a number of different combinations of fluids and components (equation-of-state (EOS) modules). In addition, the optimization routines implemented in iTOUGH2 can also be used for sensitivity analysis, automatic model calibration, and uncertainty quantification of any external code that uses text-based input and output files using the PEST protocol. iTOUGH2 solves the inverse problem bymore » minimizing a non-linear objective function of the weighted differences between model output and the corresponding observations. Multiple minimization algorithms (derivative-free, gradient-based, and second-order; local and global) are available. iTOUGH2 also performs Latin Hypercube Monte Carlo simulations for uncertainty propagation analyses. A detailed residual and error analysis is provided. This upgrade includes (a) global sensitivity analysis methods, (b) dynamic memory allocation (c) additional input features and output analyses, (d) increased forward simulation capabilities, (e) parallel execution on multicore PCs and Linux clusters, and (f) bug fixes. More details can be found at http://esd.lbl.gov/iTOUGH2.« less

Stochastical analysis of surfactant-enhanced remediation of denser-than-water nonaqueous phase liquid (DNAPL)-contaminated soils.

PubMed

Zhang, Renduo; Wood, A Lynn; Enfield, Carl G; Jeong, Seung-Woo

2003-01-01

Stochastical analysis was performed to assess the effect of soil spatial variability and heterogeneity on the recovery of denser-than-water nonaqueous phase liquids (DNAPL) during the process of surfactant-enhanced remediation. UTCHEM, a three-dimensional, multicomponent, multiphase, compositional model, was used to simulate water flow and chemical transport processes in heterogeneous soils. Soil spatial variability and heterogeneity were accounted for by considering the soil permeability as a spatial random variable and a geostatistical method was used to generate random distributions of the permeability. The randomly generated permeability fields were incorporated into UTCHEM to simulate DNAPL transport in heterogeneous media and stochastical analysis was conducted based on the simulated results. From the analysis, an exponential relationship between average DNAPL recovery and soil heterogeneity (defined as the standard deviation of log of permeability) was established with a coefficient of determination (r2) of 0.991, which indicated that DNAPL recovery decreased exponentially with increasing soil heterogeneity. Temporal and spatial distributions of relative saturations in the water phase, DNAPL, and microemulsion in heterogeneous soils were compared with those in homogeneous soils and related to soil heterogeneity. Cleanup time and uncertainty to determine DNAPL distributions in heterogeneous soils were also quantified. The study would provide useful information to design strategies for the characterization and remediation of nonaqueous phase liquid-contaminated soils with spatial variability and heterogeneity.

Liquid-based gating mechanism with tunable multiphase selectivity and antifouling behaviour

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

Hou, X; Hu, YH; Grinthal, A

Living organisms make extensive use of micro- and nanometre-sized pores as gatekeepers for controlling the movement of fluids, vapours and solids between complex environments. The ability of such pores to coordinate multiphase transport, in a highly selective and subtly triggered fashion and without clogging, has inspired interest in synthetic gated pores for applications ranging from fluid processing to 3D printing and lab-on-chip systems(1-10). But although specific gating and transport behaviours have been realized by precisely tailoring pore surface chemistries and pore geometries(6,11-17), a single system capable of controlling complex, selective multiphase transport has remained a distant prospect, and fouling ismore » nearly inevitable(11,12). Here we introduce a gating mechanism that uses a capillary-stabilized liquid as a reversible, reconfigurable gate that fills and seals pores in the closed state, and creates a non-fouling, liquid-lined pore in the open state. Theoretical modelling and experiments demonstrate that for each transport substance, the gating threshold-the pressure needed to open the pores-can be rationally tuned over a wide pressure range. This enables us to realize in one system differential response profiles for a variety of liquids and gases, even letting liquids flow through the pore while preventing gas from escaping. These capabilities allow us to dynamically modulate gas-liquid sorting in a microfluidic flow and to separate a three-phase air-water-oil mixture, with the liquid lining ensuring sustained antifouling behaviour. Because the liquid gating strategy enables efficient long-term operation and can be applied to a variety of pore structures and membrane materials, and to micro- as well as macroscale fluid systems, we expect it to prove useful in a wide range of applications.« less

Liquid-based gating mechanism with tunable multiphase selectivity and antifouling behaviour

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

Hou, Xu; Hu, Yuhang; Grinthal, Alison

Living organisms make extensive use of micro- and nanometre-sized pores as gatekeepers for controlling the movement of fluids, vapours and solids between complex environments. In addition, the ability of such pores to coordinate multiphase transport, in a highly selective and subtly triggered fashion and without clogging, has inspired interest in synthetic gated pores for applications ranging from fluid processing to 3D printing and lab-on-chip systems 1-10.But although specific gating and transport behaviours have been realized by precisely tailoring pore surface chemistries and pore geometries 6,11–17, a single system capable of controlling complex, selective multiphase transport has remained a distant prospect,more » and fouling is nearly inevitable.Here we introduce a gating mechanism that uses a capillary-stabilized liquid as a reversible, reconfigurable gate that fills and seals pores in the closed state, and creates a non-fouling, liquid-lined pore in the open state.Theoretical modelling and experiments demonstrate that for each transport substance, the gating threshold—the pressure needed to open the pores—can be rationally tuned over a wide pressure range. This enables us to realize in one system differential response profiles for a variety of liquids and gases, even letting liquids flow through the pore while preventing gas from escaping.These capabilities allow us to dynamically modulate gas–liquid sorting in a microfluidic flow and to separate a three-phase air water–oil mixture, with the liquid lining ensuring sustained antifouling behaviour. Because the liquid gating strategy enables efficient long-term operation and can be applied to a variety of pore structures and membrane materials, and to micro- as well as macroscale fluid systems, we expect it to prove useful in a wide range of applications.« less

Liquid-based gating mechanism with tunable multiphase selectivity and antifouling behaviour

NASA Astrophysics Data System (ADS)

Hou, Xu; Hu, Yuhang; Grinthal, Alison; Khan, Mughees; Aizenberg, Joanna

2015-03-01

Living organisms make extensive use of micro- and nanometre-sized pores as gatekeepers for controlling the movement of fluids, vapours and solids between complex environments. The ability of such pores to coordinate multiphase transport, in a highly selective and subtly triggered fashion and without clogging, has inspired interest in synthetic gated pores for applications ranging from fluid processing to 3D printing and lab-on-chip systems. But although specific gating and transport behaviours have been realized by precisely tailoring pore surface chemistries and pore geometries, a single system capable of controlling complex, selective multiphase transport has remained a distant prospect, and fouling is nearly inevitable. Here we introduce a gating mechanism that uses a capillary-stabilized liquid as a reversible, reconfigurable gate that fills and seals pores in the closed state, and creates a non-fouling, liquid-lined pore in the open state. Theoretical modelling and experiments demonstrate that for each transport substance, the gating threshold--the pressure needed to open the pores--can be rationally tuned over a wide pressure range. This enables us to realize in one system differential response profiles for a variety of liquids and gases, even letting liquids flow through the pore while preventing gas from escaping. These capabilities allow us to dynamically modulate gas-liquid sorting in a microfluidic flow and to separate a three-phase air-water-oil mixture, with the liquid lining ensuring sustained antifouling behaviour. Because the liquid gating strategy enables efficient long-term operation and can be applied to a variety of pore structures and membrane materials, and to micro- as well as macroscale fluid systems, we expect it to prove useful in a wide range of applications.

Liquid-based gating mechanism with tunable multiphase selectivity and antifouling behaviour

DOE PAGES

Hou, Xu; Hu, Yuhang; Grinthal, Alison; ...

2015-03-04

Living organisms make extensive use of micro- and nanometre-sized pores as gatekeepers for controlling the movement of fluids, vapours and solids between complex environments. In addition, the ability of such pores to coordinate multiphase transport, in a highly selective and subtly triggered fashion and without clogging, has inspired interest in synthetic gated pores for applications ranging from fluid processing to 3D printing and lab-on-chip systems 1-10.But although specific gating and transport behaviours have been realized by precisely tailoring pore surface chemistries and pore geometries 6,11–17, a single system capable of controlling complex, selective multiphase transport has remained a distant prospect,more » and fouling is nearly inevitable.Here we introduce a gating mechanism that uses a capillary-stabilized liquid as a reversible, reconfigurable gate that fills and seals pores in the closed state, and creates a non-fouling, liquid-lined pore in the open state.Theoretical modelling and experiments demonstrate that for each transport substance, the gating threshold—the pressure needed to open the pores—can be rationally tuned over a wide pressure range. This enables us to realize in one system differential response profiles for a variety of liquids and gases, even letting liquids flow through the pore while preventing gas from escaping.These capabilities allow us to dynamically modulate gas–liquid sorting in a microfluidic flow and to separate a three-phase air water–oil mixture, with the liquid lining ensuring sustained antifouling behaviour. Because the liquid gating strategy enables efficient long-term operation and can be applied to a variety of pore structures and membrane materials, and to micro- as well as macroscale fluid systems, we expect it to prove useful in a wide range of applications.« less

Liquid-based gating mechanism with tunable multiphase selectivity and antifouling behaviour.

PubMed

Hou, Xu; Hu, Yuhang; Grinthal, Alison; Khan, Mughees; Aizenberg, Joanna

2015-03-05

Living organisms make extensive use of micro- and nanometre-sized pores as gatekeepers for controlling the movement of fluids, vapours and solids between complex environments. The ability of such pores to coordinate multiphase transport, in a highly selective and subtly triggered fashion and without clogging, has inspired interest in synthetic gated pores for applications ranging from fluid processing to 3D printing and lab-on-chip systems. But although specific gating and transport behaviours have been realized by precisely tailoring pore surface chemistries and pore geometries, a single system capable of controlling complex, selective multiphase transport has remained a distant prospect, and fouling is nearly inevitable. Here we introduce a gating mechanism that uses a capillary-stabilized liquid as a reversible, reconfigurable gate that fills and seals pores in the closed state, and creates a non-fouling, liquid-lined pore in the open state. Theoretical modelling and experiments demonstrate that for each transport substance, the gating threshold-the pressure needed to open the pores-can be rationally tuned over a wide pressure range. This enables us to realize in one system differential response profiles for a variety of liquids and gases, even letting liquids flow through the pore while preventing gas from escaping. These capabilities allow us to dynamically modulate gas-liquid sorting in a microfluidic flow and to separate a three-phase air-water-oil mixture, with the liquid lining ensuring sustained antifouling behaviour. Because the liquid gating strategy enables efficient long-term operation and can be applied to a variety of pore structures and membrane materials, and to micro- as well as macroscale fluid systems, we expect it to prove useful in a wide range of applications.

Multicomponent Supramolecular Systems: Self-Organization in Coordination-Driven Self-Assembly

PubMed Central

Zheng, Yao-Rong; Yang, Hai-Bo; Ghosh, Koushik; Zhao, Liang; Stang, Peter J.

2009-01-01

The self-organization of multicomponent supramolecular systems involving a variety of two-dimensional (2-D) polygons and three-dimensional (3-D) cages is presented. Nine self-organizing systems, SS1–SS9, have been studied. Each involving the simultaneous mixing of organoplatinum acceptors and pyridyl donors of varying geometry and their selective self-assembly into three to four specific 2-D (rectangular, triangular, and rhomboid) and/or 3-D (triangular prism and distorted and nondistorted trigonal bipyramidal) supramolecules. The formation of these discrete structures is characterized using NMR spectroscopy and electrospray ionization mass spectrometry (ESI-MS). In all cases, the self-organization process is directed by: (1) the geometric information encoded within the molecular subunits and (2) a thermodynamically driven dynamic self-correction process. The result is the selective self-assembly of multiple discrete products from a randomly formed complex. The influence of key experimental variables – temperature and solvent – on the self-correction process and the fidelity of the resulting self-organization systems is also described. PMID:19544512

The Kirkendall and Frenkel effects during 2D diffusion process

NASA Astrophysics Data System (ADS)

Wierzba, Bartek

2014-11-01

The two-dimensional approach for inter-diffusion and voids generation is presented. The voids evolution and growth is discussed. This approach is based on the bi-velocity (Darken) method which combines the Darken and Brenner concepts that the volume velocity is essential in defining the local material velocity in multi-component mixture at non-equilibrium. The model is formulated for arbitrary multi-component two-dimensional systems. It is shown that the voids growth is due to the drift velocity and vacancy migration. The radius of the void can be easily estimated. The distributions of (1) components, (2) vacancy and (3) voids radius over the distance is presented.

The role of 2-methylglyceric acid and oligomer formation in the multiphase processing of secondary organic aerosol from isoprene and methacrolein photooxidation (CUMULUS project)

NASA Astrophysics Data System (ADS)

Giorio, Chiara; Brégonzio-Rozier, Lola; Siekmann, Frank; Cazaunau, Mathieu; Temime-Roussel, Brice; Langley DeWitt, Helen; Gratien, Aline; Michoud, Vincent; Pangui, Edouard; Morales, Sébastien; Ravier, Sylvain; Zielinski, Arthur T.; Tapparo, Andrea; Vermeylen, Reinhilde; Claeys, Magda; Voisin, Didier; Salque-Moreton, Guillaume; Kalberer, Markus; Doussin, Jean-François; Monod, Anne

2017-04-01

Biogenic volatile organic compounds (BVOCs) undergo atmospheric processing and form a wide range of oxidised and water-soluble compounds. These compounds could partition into atmospheric water droplets, and react within the aqueous phase producing higher molecular weight and less volatile compounds which could remain in the particle phase after water evaporation (Ervens et al., 2011). The aim of this work was the molecular characterisation of secondary organic aerosol (SOA) formed from the photooxidation of isoprene and methacrolein during cloud evapo-condensation cycles. The experiments were performed within the CUMULUS project (CloUd MULtiphase chemistry of organic compoUndS in the troposphere), at the 4.2 m3 stainless steel CESAM chamber at LISA (Brégonzio-Rozier et al., 2016). In each experiment, isoprene or methacrolein was photooxidised with HONO and clouds have been produced to study oxidation processes in a multiphase environment that well simulates the interactions between VOCs, SOA particles and cloud droplets. During all the experiments, SOA was characterised online with a high-resolution time-of-flight aerosol mass spectrometer (HR-ToF-AMS) and offline with gas chromatography mass spectrometry (GC-MS) and direct infusion nanoelectrospray ionisation high resolution mass spectrometry (nanoESI-HRMS). We observed that the main SOA compound in all experiments was 2-methylglyceric acid which undergoes oligomerisation reactions. A large number of long homologous series of oligomers were detected in all experiments, together with a complex co-oligomerised system made of monomers with a large variety of different structures. Comparison of SOA from multiphasic (smog chamber) experiments and samples from aqueous phase oxidation of methacrolein with •OH radical pointed out different types of oligomerisation reactions dominating the two different systems. Ervens et al. (2011) Atmos. Chem. Phys. 11, 11069 11102. Brégonzio-Rozier et al. (2016) Atmos. Chem. Phys. 16, 1747 1760.

Reactive multiphase flow at the pore-scale: the melting of a crystalline framework during the injection of buoyant hot volatiles

NASA Astrophysics Data System (ADS)

Andrea, P.; Huber, C.; Bachmann, O.; Chopard, B.

2010-12-01

Multiphase reactive flows occur naturally in various environments in the shallow subsurface, e.g. CO2 injections in saturated reservoirs, exsolved methane flux in shallow sediments and H20-CO2 volatiles in magmatic systems. Because of their multiphase nature together with the nonlinear feedbacks between reactions (dissolution/melting or precipitation) and the flow field at the pore-scale, the study of these dynamical processes remains a great challenge. In this study we focus on the injection of buoyant hot volatiles exsolved from a magmatic intrusion underplating a crystal-rich magma (porous medium). We use some simple theoretical models and a pore-scale multiphase reactive lattice Boltzmann model to investigate how the heat carried by the volatile phase affects the evolution of the porous medium spatially and temporally. We find that when the reaction rate is relatively slow and when the injection rate of volatiles is large (high injection Capillary number), the dissolution of the porous medium can be described by a local Peclet number (ratio of advective to diffusive flux of heat/reactant in the main gas channel). When the injection rate of volatile is reduced, or when the reaction rate is large, the dynamics transition to more complex regimes, where subvertical gas channels are no longer stable and can break into disconnected gas slugs. For the case of the injection of hot volatiles in crystal-rich magmatic systems, we find that the excess enthalpy advected by buoyant volatiles penetrates the porous medium over distances ~r Pe, where r is the average radius of the volatile channel (~pore size). The transport of heat by buoyant gases through a crystal mush is therefore in most cases limited to distances < meters. Our results also suggest that buoyant volatiles can carry chemical species (Li,F, Cl) far into a mush as their corresponding local Peclet number is several orders of magnitude greater than that for heat, owing to their low diffusion coefficients.

Acetylcholinesterase-Based Electrochemical Multiphase Microreactor for Detection of Organophosphorous Compounds (Preprint)

DTIC Science & Technology

2007-04-01

target molecules, we are interested in incorporating the existing, liquid AChE sensor chemistry into a multiphase microreactor . The multiphase... microreactor will play a critical role in combining microsensor technology with analytical biochemistry and increase reaction time, sensitivity and... microreactor with a micro-scale gas- liquid interface, 2) to adapt AChE biochemistry into the microreactor in order to develop an electrochemical biosensor for

Comprehensive Approaches to Multiphase Flows in Geophysics - Application to nonisothermal, nonhomogenous, unsteady, large-scale, turbulent dusty clouds I. Hydrodynamic and Thermodynamic RANS and LES Models

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

S. Dartevelle

2005-09-05

The objective of this manuscript is to fully derive a geophysical multiphase model able to ''accommodate'' different multiphase turbulence approaches; viz., the Reynolds Averaged Navier-Stokes (RANS), the Large Eddy Simulation (LES), or hybrid RANSLES. This manuscript is the first part of a larger geophysical multiphase project--lead by LANL--that aims to develop comprehensive modeling tools for large-scale, atmospheric, transient-buoyancy dusty jets and plume (e.g., plinian clouds, nuclear ''mushrooms'', ''supercell'' forest fire plumes) and for boundary-dominated geophysical multiphase gravity currents (e.g., dusty surges, diluted pyroclastic flows, dusty gravity currents in street canyons). LES is a partially deterministic approach constructed on either amore » spatial- or a temporal-separation between the large and small scales of the flow, whereas RANS is an entirely probabilistic approach constructed on a statistical separation between an ensemble-averaged mean and higher-order statistical moments (the so-called ''fluctuating parts''). Within this specific multiphase context, both turbulence approaches are built up upon the same phasic binary-valued ''function of presence''. This function of presence formally describes the occurrence--or not--of any phase at a given position and time and, therefore, allows to derive the same basic multiphase Navier-Stokes model for either the RANS or the LES frameworks. The only differences between these turbulence frameworks are the closures for the various ''turbulence'' terms involving the unknown variables from the fluctuating (RANS) or from the subgrid (LES) parts. Even though the hydrodynamic and thermodynamic models for RANS and LES have the same set of Partial Differential Equations, the physical interpretations of these PDEs cannot be the same, i.e., RANS models an averaged field, while LES simulates a filtered field. In this manuscript, we also demonstrate that this multiphase model fully fulfills the second law of thermodynamics and fulfills the necessary requirements for a well-posed initial-value problem. In the next manuscripts, we will further develop specific closures for multiphase RANS, LES, and hybrid-LES.« less

Multicomponent cognitive-behavioral group therapy with hypnosis for the treatment of fibromyalgia: long-term outcome.

PubMed

Castel, Antoni; Cascón, Rosalia; Padrol, Anna; Sala, José; Rull, Maria

2012-03-01

This study compared the efficacy of 2 psychological treatments for fibromyalgia with each other and with standard care. Ninety-three patients with fibromyalgia (FM) were randomly assigned to 1 of the 3 experimental conditions: 1) multicomponent cognitive-behavioral therapy (CBT); 2) multicomponent CBT with hypnosis; and 3) pharmacological treatment (standard care control group). The outcome measures of pain intensity, catastrophizing, psychological distress, functionality, and sleep disturbances were assessed before treatment, immediately after treatment, and at 3- and 6-month follow-up visits. CBT and CBT with hypnosis participants received the standard pharmacological management plus 14 weekly, 120-minute-long sessions of psychological treatment. All but 1 session followed a group format; the remaining session was individual. The analyses indicated that: 1) patients with FM who received multicomponent CBT alone or multicomponent CBT with hypnosis showed greater improvements than patients who received only standard care; and 2) adding hypnosis enhanced the effectiveness of multicomponent CBT. This study presents new evidence about the efficacy of multicomponent CBT for FM and about the additional effects of hypnosis as a complement to CBT. The relevance and implications of the obtained results are discussed. This article highlights the beneficial effects of adding hypnosis in a multicomponent cognitive-behavioral group treatment of fibromyalgia patients. Also, this research showed that by adding hypnosis the length of treatment did not increase. Copyright © 2012 American Pain Society. Published by Elsevier Inc. All rights reserved.

Dynamic Data Driven Applications Systems (DDDAS)

DTIC Science & Technology

2012-05-03

response) – Earthquakes, hurricanes, tornados, wildfires, floods, landslides, tsunamis, … • Critical Infrastructure systems – Electric-powergrid...Multiphase Flow Weather and Climate Structural Mechanics Seismic Processing Aerodynamics Geophysical Fluids Quantum Chemistry Actinide Chemistry...Alloys • Approach and Objectives:  Consider porous SMAs:  similar macroscopic behavior but mass /weight is less, and thus attractive for

Adaptive Behaviour Assessment System: Indigenous Australian Adaptation Model (ABAS: IAAM)

ERIC Educational Resources Information Center

du Plessis, Santie

2015-01-01

The study objectives were to develop, trial and evaluate a cross-cultural adaptation of the Adaptive Behavior Assessment System-Second Edition Teacher Form (ABAS-II TF) ages 5-21 for use with Indigenous Australian students ages 5-14. This study introduced a multiphase mixed-method design with semi-structured and informal interviews, school…

A Preliminary Assessment of Phase Separator Ground-Based and Reduced-Gravity Testing for ALS Systems

NASA Technical Reports Server (NTRS)

Hall, Nancy Rabel

2006-01-01

A viewgraph presentation of phase separator ground-based and reduced-gravity testing for Advanced Life Support (ALS) systems is shown. The topics include: 1) Multiphase Flow Technology Program; 2) Types of Separators; 3) MOBI Phase Separators; 4) Experiment set-up; and 5) Preliminary comparison/results.

Guangdong Zhu | NREL

Science.gov Websites

Guangdong.Zhu@nrel.gov | 303-275-4497 Guangdong joined the Thermal Systems Group at NREL in 2010 and is working collectors is performed. He is also involved in optical and thermal modeling and economic analysis of solar , and presentations in the areas of multiphase flow, power generation systems, and solar thermal power

Practical Guide for the Selection of Audio Visual Media. General Criteria System and Evaluation Procedure for Educational Media Decisions.

ERIC Educational Resources Information Center

Klepzig, H. J.; Weiss, M.

Designed to aid in making concrete decisions on the acquisition and use of media, the criteria system and evaluation procedure described is a multiphase, objective-based decision making process. This report includes guidelines for setting up goal systems and developing criteria for the evaluation of media based on a goal system; an outline of…

A new multi-objective optimization model for preventive maintenance and replacement scheduling of multi-component systems

NASA Astrophysics Data System (ADS)

Moghaddam, Kamran S.; Usher, John S.

2011-07-01

In this article, a new multi-objective optimization model is developed to determine the optimal preventive maintenance and replacement schedules in a repairable and maintainable multi-component system. In this model, the planning horizon is divided into discrete and equally-sized periods in which three possible actions must be planned for each component, namely maintenance, replacement, or do nothing. The objective is to determine a plan of actions for each component in the system while minimizing the total cost and maximizing overall system reliability simultaneously over the planning horizon. Because of the complexity, combinatorial and highly nonlinear structure of the mathematical model, two metaheuristic solution methods, generational genetic algorithm, and a simulated annealing are applied to tackle the problem. The Pareto optimal solutions that provide good tradeoffs between the total cost and the overall reliability of the system can be obtained by the solution approach. Such a modeling approach should be useful for maintenance planners and engineers tasked with the problem of developing recommended maintenance plans for complex systems of components.

Impact of multicomponent ionic transport on pH fronts propagation in saturated porous media

NASA Astrophysics Data System (ADS)

Muniruzzaman, Muhammad; Rolle, Massimo

2016-04-01

Multicomponent ionic interactions have been increasingly recognized as important factors for the displacement of charged species in porous media under both diffusion- [1,2] and advection-dominated flow regimes [3,4]. In this study we investigate the propagation of pH fronts during multicomponent ionic transport in saturated porous media under flow-through conditions. By performing laboratory bench-scale experiments combined with numerical modeling we show the important influence of Coulombic effects on proton transport in the presence of ionic admixtures. The experiments were performed in a quasi two-dimensional flow-through setup under steady-state flow and transport conditions. Dilute solutions of hydrochloric acid with MgCl2 (1:2 strong electrolyte) were used as tracer solutions to experimentally test the effect of electrochemical cross-coupling on the migration of diffusive/dispersive pH fronts. We focus on two experimental scenarios, with different composition of tracer solutions, causing remarkably different effects on the propagation of the acidic fronts with relative differences in the penetration depth of pH fronts of 36% between the two scenarios and of 25% and 15% for each scenario with respect to the transport of ions at liberated state (i.e., without considering the charge effects). Also significant differences in the dilution of the distinct ionic plumes, quantified using the flux-related dilution index at the laboratory bench scale [5], were measured at the outflow of the flow-through system. The dilution of the pH plumes also changed considerably (26% relative difference) in the two flow-through experiments only due to the different composition of the pore water solution and to the electrostatic coupling of the ions in the flow-through setups. Numerical transport simulations were performed to interpret the laboratory experiments. The simulations were based on a multicomponent ionic formulation accurately capturing the Coulombic interactions between the transported ions in the flow-through system. The results of purely forward simulations show a very good agreement with the high-resolution measurements performed at the outlet of the flow-through setup and illustrate the importance of charge effects on pH fronts propagation in porous media. [1] Giambalvo, E. R., C. I. Steefel, A. T. Fisher, N. D. Rosenberg, and C. G. Wheat (2002), Effect of fluid-sediment reaction on hydrothermal fluxes of major elements, eastern flank of the Juan de Fuca Ridge, Geochim. Cosmochim. Acta, 66, 1739-1757. [2] Appelo, C. A. J., and P. Wersin (2007), Multicomponent diffusion modeling in clay systems with application to the diffusion of tritium, iodide, and sodium in opalinus clay, Environ. Sci. Technol., 41, 5002-5007. [3] Rolle, M., M. Muniruzzaman, C. M. Haberer, and P. Grathwohl (2013), Coulombic effects in advection-dominated transport of electrolytes in porous media: Multicomponent ionic dispersion, Geochim. Cosmochim. Acta, 120, 195-205. [4] Muniruzzaman, M., C. M. Haberer, P. Grathwohl, and M. Rolle (2014), Multicomponent ionic dispersion during transport of electrolytes in heterogeneous porous media: Experiments and model-based interpretation, Geochim. Cosmochim. Acta, 141, 656-669. [5] Rolle, M., G. Chiogna, D. L. Hochstetler, and P. K. Kitanidis (2013), On the importance of diffusion and compound-specific mixing for groundwater transport: An investigation from pore to field scale, J. Contam. Hydrol., 153, 51-68.

TRAINING TYPISTS IN THE INDUSTRIAL ENVIRONMENT--PRELIMINARY REPORT OF A PROTOTYPE SYSTEM OF SIMULTANEOUS, MULTILEVEL, MULTIPHASIC AUDIO PROGRAMMING.

ERIC Educational Resources Information Center

ADAMS, CHARLES F.

IN 1965 TEN NEGRO AND PUERTO RICAN GIRLS BEGAN CLERICAL TRAINING IN THE NATIONAL ASSOCIATION OF MANUFACTURERS (NAM) TYPING LABORATORY I (TEELAB-I), A PILOT PROJECT TO DEVELOP A SYSTEM OF TRAINING TYPISTS WITHIN THE INDUSTRIAL ENVIRONMENT. THE INITIAL SYSTEM, AN ADAPTATION OF GREGG AUDIO MATERIALS TO A MACHINE TECHNOLOGY, TAUGHT ACCURACY, SPEED…

Single and multi-component adsorption of psychiatric pharmaceuticals onto alternative and commercial carbons.

PubMed

Calisto, Vânia; Jaria, Guilaine; Silva, Carla Patrícia; Ferreira, Catarina I A; Otero, Marta; Esteves, Valdemar I

2017-05-01

This work describes the adsorptive removal of three widely consumed psychiatric pharmaceuticals (carbamazepine, paroxetine and oxazepam) from ultrapure water. Two different adsorbents were used: a commercial activated carbon and a non-activated waste-based carbon (PS800-150-HCl), produced by pyrolysis of primary paper mill sludge. These adsorbents were used in single, binary and ternary batch experiments in order to determine the adsorption kinetics and equilibrium isotherms of the considered pharmaceuticals. For the three drugs and both carbons, the equilibrium was quickly attained (with maximum equilibrium times of 15 and 120 min for the waste-based and the commercial carbons, respectively) even in binary and ternary systems. Single component equilibrium data were adequately described by the Langmuir model, with the commercial carbon registering higher maximum adsorption capacities (between 272 ± 10 and 493 ± 12 μmol g -1 ) than PS800-150-HCl (between 64 ± 2 and 74 ± 1 μmol g -1 ). Multi-component equilibrium data were also best fitted by the single component Langmuir isotherm, followed by the Langmuir competitive model. Overall, competitive effects did not largely affect the performance of both adsorbents. Binary and ternary systems maintained fast kinetics, the individual maximum adsorption capacities were not lower than half of the single component systems and both carbons presented improved total adsorption capacities for multi-component solutions. Copyright © 2017 Elsevier Ltd. All rights reserved.

Efficient propagation of citrus rootstocks by stem cuttings

USDA-ARS?s Scientific Manuscript database

A simple multicomponent system is described that is effective for rapid propagation of a diversity of citrus rootstock genotypes by single node cuttings, including new hybrids and those that are most commonly used as rootstocks. Efficiency of this system for rooting shoot explants of six important r...

Simultaneous multi-component seismic denoising and reconstruction via K-SVD

NASA Astrophysics Data System (ADS)

Hou, Sian; Zhang, Feng; Li, Xiangyang; Zhao, Qiang; Dai, Hengchang

2018-06-01

Data denoising and reconstruction play an increasingly significant role in seismic prospecting for their value in enhancing effective signals, dealing with surface obstacles and reducing acquisition costs. In this paper, we propose a novel method to denoise and reconstruct multicomponent seismic data simultaneously. This method lies within the framework of machine learning and the key points are defining a suitable weight function and a modified inner product operator. The purpose of these two processes are to perform missing data machine learning when the random noise deviation is unknown, and building a mathematical relationship for each component to incorporate all the information of multi-component data. Two examples, using synthetic and real multicomponent data, demonstrate that the new method is a feasible alternative for multi-component seismic data processing.

Hybrid Solution-Adaptive Unstructured Cartesian Method for Large-Eddy Simulation of Detonation in Multi-Phase Turbulent Reactive Mixtures

DTIC Science & Technology

2012-03-27

pulse- detonation engines ( PDE ), stage separation, supersonic cav- ity oscillations, hypersonic aerodynamics, detonation induced structural...ADAPTIVE UNSTRUCTURED CARTESIAN METHOD FOR LARGE-EDDY SIMULATION OF DETONATION IN MULTI-PHASE TURBULENT REACTIVE MIXTURES 5b. GRANT NUMBER FA9550...CCL Report TR-2012-03-03 Hybrid Solution-Adaptive Unstructured Cartesian Method for Large-Eddy Simulation of Detonation in Multi-Phase Turbulent

A compressible two-phase model for dispersed particle flows with application from dense to dilute regimes

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

McGrath, Thomas P., E-mail: thomas.p.mcgrath@navy.mil; St Clair, Jeffrey G.; Department of Mechanical and Aerospace Engineering, University of Florida, 231 MAE-A, P.O. Box 116250, Gainesville, Florida 32611

2016-05-07

Multiphase flows are present in many important fields ranging from multiphase explosions to chemical processing. An important subset of multiphase flow applications involves dispersed materials, such as particles, droplets, and bubbles. This work presents an Eulerian–Eulerian model for multiphase flows containing dispersed particles surrounded by a continuous media such as air or water. Following a large body of multiphase literature, the driving force for particle acceleration is modeled as a direct function of both the continuous-phase pressure gradient and the gradient of intergranular stress existing within the particle phase. While the application of these two components of driving force ismore » well accepted in much of the literature, other models exist in which the particle-phase pressure gradient itself drives particle motion. The multiphase model treats all phases as compressible and is derived to ensure adherence to the 2nd Law of Thermodynamics. The governing equations are presented and discussed, and a characteristic analysis shows the model to be hyperbolic, with a degeneracy in the case that the intergranular stress, which is modeled as a configuration pressure, is zero. Finally, results from a two sample problems involving shock-induced particle dispersion are presented. The results agree well with experimental measurements, providing initial confidence in the proposed model.« less

Overcoming the problem of residual microbial contamination in dental suction units left by conventional disinfection using novel single component suction handpieces in combination with automated flood disinfection.

PubMed

Boyle, M A; O'Donnell, M J; Russell, R J; Galvin, N; Swan, J; Coleman, D C

2015-10-01

Decontaminating dental chair unit (DCU) suction systems in a convenient, safe and effective manner is problematic. This study aimed to identify and quantify the extent of the problems using 25 DCUs, methodically eliminate these problems and develop an efficient approach for reliable, effective, automated disinfection. DCU suction system residual contamination by environmental and human-derived bacteria was evaluated by microbiological culture following standard aspiration disinfection with a quaternary ammonium disinfectant or alternatively, a novel flooding approach to disinfection. Disinfection of multicomponent suction handpieces, assembled and disassembled, was also studied. A prototype manual and a novel automated Suction Tube Cleaning System (STCS) were developed and tested, as were novel single component suction handpieces. Standard aspiration disinfection consistently failed to decontaminate DCU suction systems effectively. Semi-confluent bacterial growth (101-500 colony forming units (CFU) per culture plate) was recovered from up to 60% of suction filter housings and from up to 19% of high and 37% of low volume suction hoses. Manual and automated flood disinfection of DCU suction systems reduced this dramatically (ranges for filter cage and high and low volume hoses of 0-22, 0-16 and 0-14CFU/plate, respectively) (P<0.0001). Multicomponent suction handpieces could not be adequately disinfected without prior removal and disassembly. Novel single component handpieces, allowed their effective disinfection in situ using the STCS, which virtually eliminated contamination from the entire suction system. Flood disinfection of DCU suction systems and single component handpieces radically improves disinfection efficacy and considerably reduces potential cross-infection and cross-contamination risks. DCU suction systems become heavily contaminated during use. Conventional disinfection does not adequately control this. Furthermore, multicomponent suction handpieces cannot be adequately disinfected without disassembly, which is costly in time, staff and resources. The automated STCS DCU suction disinfection system used with single component handpieces provides an effective solution. Copyright © 2015 The Authors. Published by Elsevier Ltd.. All rights reserved.

Stepper motor control that adjusts to motor loading

NASA Technical Reports Server (NTRS)

Howard, David E. (Inventor); Nola, Frank J. (Inventor)

2000-01-01

A system and method are provided for controlling a stepper motor having a rotor and a multi-phase stator. Sinusoidal command signals define a commanded position of the motor's rotor. An actual position of the rotor is sensed as a function of an electrical angle between the actual position and the commanded position. The actual position is defined by sinusoidal position signals. An adjustment signal is generated using the sinusoidal command signals and sinusoidal position signals. The adjustment signal is defined as a function of the cosine of the electrical angle. The adjustment signal is multiplied by each sinusoidal command signal to generate a corresponding set of excitation signals, each of which is applied to a corresponding phase of the multi-phase stator.

Density and Cavitating Flow Results from a Full-Scale Optical Multiphase Cryogenic Flowmeter

NASA Technical Reports Server (NTRS)

Korman, Valentin

2007-01-01

Liquid propulsion systems are hampered by poor flow measurements. The measurement of flow directly impacts safe motor operations, performance parameters as well as providing feedback from ground testing and developmental work. NASA Marshall Space Flight Center, in an effort to improve propulsion sensor technology, has developed an all optical flow meter that directly measures the density of the fluid. The full-scale sensor was tested in a transient, multiphase liquid nitrogen fluid environment. Comparison with traditional density models shows excellent agreement with fluid density with an error of approximately 0.8%. Further evaluation shows the sensor is able to detect cavitation or bubbles in the flow stream and separate out their resulting effects in fluid density.

Preparation and quantification of radioactive particles for tracking hydrodynamic behavior in multiphase reactors.

PubMed

Yunos, Mohd Amirul Syafiq Mohd; Hussain, Siti Aslina; Yusoff, Hamdan Mohamed; Abdullah, Jaafar

2014-09-01

Radioactive particle tracking (RPT) has emerged as a promising and versatile technique that can provide rich information about a variety of multiphase flow systems. However, RPT is not an off-the-shelf technique, and thus, users must customize RPT for their applications. This paper presents a simple procedure for preparing radioactive tracer particles created via irradiation with neutrons from the TRIGA Mark II research reactor. The present study focuses on the performance evaluation of encapsulated gold and scandium particles for applications as individual radioactive tracer particles using qualitative and quantitative neutron activation analysis (NAA) and an X-ray microcomputed tomography (X-ray Micro-CT) scanner installed at the Malaysian Nuclear Agency. Copyright © 2014 Elsevier Ltd. All rights reserved.

Convex Relaxation of OPF in Multiphase Radial Networks with Wye and Delta Connections

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

Zhao, Changhong; Dall-Anese, Emiliano; Low, Steven

2017-08-01

This panel presentation focuses on multiphase radial distribution networks with wye and delta connections, and proposes a semidefinite relaxation of the AC optimal power flow (OPF) problem. Two multiphase power flow models are developed to facilitate the integration of delta-connected loads or generation resources in the OPF problem. The first model is referred to as the extended branch flow model (EBFM). The second model leverages a linear relationship between phase-to-ground power injections and delta connections that holds under a balanced voltage approximation (BVA). Based on these models, pertinent OPF problems are formulated and relaxed to semidefinite programs (SDPs). Numerical studiesmore » on IEEE test feeders show that the proposed SDP relaxations can be solved efficiently by a generic optimization solver. Numerical evidence also indicates that solving the resultant SDP under BVA is faster than under EBFM. Moreover, both SDP solutions are numerically exact with respect to voltages and branch flows. It is further shown that the SDP solution under BVA has a small optimality gap, and the BVA model is accurate in the sense that it reproduces actual system voltages.« less

An application of miniscale experiments on Earth to refine microgravity analysis of adiabatic multiphase flow in space

NASA Technical Reports Server (NTRS)

Rothe, Paul H.; Martin, Christine; Downing, Julie

1994-01-01

Adiabatic two-phase flow is of interest to the design of multiphase fluid and thermal management systems for spacecraft. This paper presents original data and unifies existing data for capillary tubes as a step toward assessing existing multiphase flow analysis and engineering software. Comparisons of theory with these data once again confirm the broad accuracy of the theory. Due to the simplicity and low cost of the capillary tube experiments, which were performed on earth, we were able to closely examine for the first time a flow situation that had not previously been examined appreciably by aircraft tests. This is the situation of a slug flow at high quality, near transition to annular flow. Our comparison of software calculations with these data revealed overprediction of pipeline pressure drop by up to a factor of three. In turn, this finding motivated a reexamination of the existing theory, and then development of a new analytical and is in far better agreement with the data. This sequence of discovery illustrates the role of inexpensive miniscale modeling on earth to anticipate microgravity behavior in space and to complete and help define needs for aircraft tests.

Aspects of wellbore heat transfer during two-phase flow

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

Hasan, A.R.; Kabir, C.S.

1994-08-01

Wellbore fluid temperature is governed by the rate of heat loss from the wellbore to the surrounding formation, which in turn is a function of depth and production/injection time. The authors present an approach to estimate wellbore fluid temperature during steady-state two-phase flow. The method incorporates a new solution of the thermal diffusivity equation and the effect of both conductive and convective heat transport for the wellbore/formation system. For the multiphase flow in the wellbore, the Hasan-Kabir model has been adapted, although other mechanistic models may be used. A field example is used to illustrate the fluid temperature calculation proceduremore » and shows the importance of accounting for convection in the tubing/casing annulus. A sensitivity study shows that significant differences exist between the predicted wellhead temperature and the formation surface temperature and that the fluid temperature gradient is nonlinear. This study further shows that increased free gas lowers the wellhead temperature as a result of the Joule-Thompson effect. In such cases, the expression for fluid temperature developed earlier for single-phase flow should not be applied when multiphase flow is encountered. An appropriate expression is presented in this work for wellbores producing multiphase fluids.« less

Laboratory and numerical decompression experiments: an insight into the nucleation and growth of bubbles

NASA Astrophysics Data System (ADS)

Spina, L.; Colucci, S.; De'Michieli Vitturi, M.; Scheu, B.; Dingwell, D. B.

2014-12-01

Numerical modeling, joined with experimental investigations, is fundamental for studying the dynamics of magmatic fluid into the conduit, where direct observations are unattainable. Furthermore, laboratory experiments can provide invaluable data to vunalidate complex multiphase codes. With the aim on unveil the essence of nucleation process, as well as the behavior of the multiphase magmatic fluid, we performed slow decompression experiments in a shock tube system. We choose silicon oil as analogue for the magmatic melt, and saturated it with Argon at 10 MPa for 72h. The slow decompression to atmospheric conditions was monitored through a high speed camera and pressure sensors, located into the experimental conduit. The experimental conditions of the decompression process have then been reproduced numerically with a compressible multiphase solver based on OpenFOAM. Numerical simulations have been performed by the OpenFOAM compressibleInterFoam solver for 2 compressible, non-isothermal immiscible fluids, using a VOF (volume of fluid) phase-fraction based interface capturing approach. The data extracted from 2D images obtained from laboratory analyses were compared to the outcome of numerical investigation, showing the capability of the model to capture the main processes studied.

Methods and systems for deacidizing gaseous mixtures

DOEpatents

Hu, Liang

2010-05-18

An improved process for deacidizing a gaseous mixture using phase enhanced gas-liquid absorption is described. The process utilizes a multiphasic absorbent that absorbs an acid gas at increased rate and leads to reduced overall energy costs for the deacidizing operation.

Self-gravito-acoustic shock structures in a self-gravitating, strongly coupled, multi-component, degenerate quantum plasma system

NASA Astrophysics Data System (ADS)

Mamun, A. A.

2017-10-01

The existence of self-gravito-acoustic (SGA) shock structures (SSs) associated with negative self-gravitational potential in a self-gravitating, strongly coupled, multi-component, degenerate quantum plasma (SGSCMCDQP) system is predicted for the first time. The modified Burgers (MB) equation, which is valid for both planar and non-planar (spherical) geometries, is derived analytically, and solved numerically. It is shown that the longitudinal viscous force acting on inertial plasma species of the plasma system is the source of dissipation and is responsible for the formation of these SGA SSs in the plasma system. The time evolution of these SGA SSs is also shown for different values (viz., 0.5, 1, and 2) of Γ, where Γ is the ratio of the nonlinear coefficient to the dissipative coefficient in the MB equation. The SGSCMCDQP model and the numerical analysis of the MB equation presented here are so general that they can be applied in any type of SGSCMCDQP systems like astrophysical compact objects having planar or non-planar (spherical) shape.

Consistency criteria for generalized Cuddeford systems

NASA Astrophysics Data System (ADS)

Ciotti, Luca; Morganti, Lucia

2010-01-01

General criteria to check the positivity of the distribution function (phase-space consistency) of stellar systems of assigned density and anisotropy profile are useful starting points in Jeans-based modelling. Here, we substantially extend previous results, and present the inversion formula and the analytical necessary and sufficient conditions for phase-space consistency of the family of multicomponent Cuddeford spherical systems: the distribution function of each density component of these systems is defined as the sum of an arbitrary number of Cuddeford distribution functions with arbitrary values of the anisotropy radius, but identical angular momentum exponent. The radial trend of anisotropy that can be realized by these models is therefore very general. As a surprising byproduct of our study, we found that the `central cusp-anisotropy theorem' (a necessary condition for consistency relating the values of the central density slope and of the anisotropy parameter) holds not only at the centre but also at all radii in consistent multicomponent generalized Cuddeford systems. This last result suggests that the so-called mass-anisotropy degeneracy could be less severe than what is sometimes feared.

Liesegang banding and multiple precipitate formation in cobalt phosphate systems

NASA Astrophysics Data System (ADS)

Karam, Tony; El-Rassy, Houssam; Zaknoun, Farah; Moussa, Zeinab; Sultan, Rabih

2012-02-01

We study a cobalt phosphate Liesegang pattern from cobalt(II) and phosphate ions in a 1D tube. The system yields a complex, multi-component pattern. Characterization of the different precipitates by FTIR, SEM and XRD reveals that they are cobalt phosphate polymorphs with different degrees of hydration.

Multicomponent Diffusion of Penetrant Mixtures in Rubbery Polymers: A Molecular Dynamics Study

NASA Astrophysics Data System (ADS)

Bringuier, Stefan; Varady, Mark; Knox, Craig; Cabalo, Jerry; Pearl, Thomas; Mantooth, Brent

The importance of understanding transport of chemical species across liquid-solid boundaries is of particular interest in the decontamination of harmful chemicals absorbed within polymeric materials. To characterize processes associated with liquid-phase extraction of absorbed species from polymers, it is necessary to determine an appropriate physical description of species transport in multicomponent systems. The Maxwell-Stefan (M-S) formulation is a rigorous description of mass transport in multicomponent solutions, in which, mutual diffusivities determine the degree of relative motion between interacting molecules in response to a chemical potential gradient. The work presented focuses on the determination of M-S diffusivities from molecular dynamics (MD) simulations of nerve agent O-ethyl S-[2(diisopropylamino)ethyl] methylphosphonothioate (VX), water, and methanol mixtures within a poly(dimethylsiloxane) matrix. We investigate the composition dependence of M-S diffusivities and compare the results to values predicted using empirical relations for binary and ternary mixtures. Finally, we highlight the pertinent differences in molecular mechanisms associated with species transport and employ non-equilibrium MD to probe transport across the mixture-polymer interface.

Approximate non-linear multiparameter inversion for multicomponent single and double P-wave scattering in isotropic elastic media

NASA Astrophysics Data System (ADS)

Ouyang, Wei; Mao, Weijian

2018-03-01

An asymptotic quadratic true-amplitude inversion method for isotropic elastic P waves is proposed to invert medium parameters. The multicomponent P-wave scattered wavefield is computed based on a forward relationship using second-order Born approximation and corresponding high-frequency ray theoretical methods. Within the local double scattering mechanism, the P-wave transmission factors are elaborately calculated, which results in the radiation pattern for P-waves scattering being a quadratic combination of the density and Lamé's moduli perturbation parameters. We further express the elastic P-wave scattered wavefield in a form of generalized Radon transform (GRT). After introducing classical backprojection operators, we obtain an approximate solution of the inverse problem by solving a quadratic non-linear system. Numerical tests with synthetic data computed by finite-differences scheme demonstrate that our quadratic inversion can accurately invert perturbation parameters for strong perturbations, compared with the P-wave single-scattering linear inversion method. Although our inversion strategy here is only syncretized with P-wave scattering, it can be extended to invert multicomponent elastic data containing both P-wave and S-wave information.

Approximate nonlinear multiparameter inversion for multicomponent single and double P-wave scattering in isotropic elastic media

NASA Astrophysics Data System (ADS)

Ouyang, Wei; Mao, Weijian

2018-07-01

An asymptotic quadratic true-amplitude inversion method for isotropic elastic P waves is proposed to invert medium parameters. The multicomponent P-wave scattered wavefield is computed based on a forward relationship using second-order Born approximation and corresponding high-frequency ray theoretical methods. Within the local double scattering mechanism, the P-wave transmission factors are elaborately calculated, which results in the radiation pattern for P-wave scattering being a quadratic combination of the density and Lamé's moduli perturbation parameters. We further express the elastic P-wave scattered wavefield in a form of generalized Radon transform. After introducing classical backprojection operators, we obtain an approximate solution of the inverse problem by solving a quadratic nonlinear system. Numerical tests with synthetic data computed by finite-differences scheme demonstrate that our quadratic inversion can accurately invert perturbation parameters for strong perturbations, compared with the P-wave single-scattering linear inversion method. Although our inversion strategy here is only syncretized with P-wave scattering, it can be extended to invert multicomponent elastic data containing both P- and S-wave information.

Clustering biomolecular complexes by residue contacts similarity.

PubMed

Rodrigues, João P G L M; Trellet, Mikaël; Schmitz, Christophe; Kastritis, Panagiotis; Karaca, Ezgi; Melquiond, Adrien S J; Bonvin, Alexandre M J J

2012-07-01

Inaccuracies in computational molecular modeling methods are often counterweighed by brute-force generation of a plethora of putative solutions. These are then typically sieved via structural clustering based on similarity measures such as the root mean square deviation (RMSD) of atomic positions. Albeit widely used, these measures suffer from several theoretical and technical limitations (e.g., choice of regions for fitting) that impair their application in multicomponent systems (N > 2), large-scale studies (e.g., interactomes), and other time-critical scenarios. We present here a simple similarity measure for structural clustering based on atomic contacts--the fraction of common contacts--and compare it with the most used similarity measure of the protein docking community--interface backbone RMSD. We show that this method produces very compact clusters in remarkably short time when applied to a collection of binary and multicomponent protein-protein and protein-DNA complexes. Furthermore, it allows easy clustering of similar conformations of multicomponent symmetrical assemblies in which chain permutations can occur. Simple contact-based metrics should be applicable to other structural biology clustering problems, in particular for time-critical or large-scale endeavors. Copyright © 2012 Wiley Periodicals, Inc.

Development of a Rational Modeling Approach for the Design, and Optimization of the Multifiltration Unit. Volume 1

NASA Technical Reports Server (NTRS)

Hand, David W.; Crittenden, John C.; Ali, Anisa N.; Bulloch, John L.; Hokanson, David R.; Parrem, David L.

1996-01-01

This thesis includes the development and verification of an adsorption model for analysis and optimization of the adsorption processes within the International Space Station multifiltration beds. The fixed bed adsorption model includes multicomponent equilibrium and both external and intraparticle mass transfer resistances. Single solute isotherm parameters were used in the multicomponent equilibrium description to predict the competitive adsorption interactions occurring during the adsorption process. The multicomponent equilibrium description used the Fictive Component Analysis to describe adsorption in unknown background matrices. Multicomponent isotherms were used to validate the multicomponent equilibrium description. Column studies were used to develop and validate external and intraparticle mass transfer parameter correlations for compounds of interest. The fixed bed model was verified using a shower and handwash ersatz water which served as a surrogate to the actual shower and handwash wastewater.

Electromagnetic fields in small systems from a multiphase transport model

NASA Astrophysics Data System (ADS)

Zhao, Xin-Li; Ma, Yu-Gang; Ma, Guo-Liang

2018-02-01

We calculate the electromagnetic fields generated in small systems by using a multiphase transport (AMPT) model. Compared to A +A collisions, we find that the absolute electric and magnetic fields are not small in p +Au and d +Au collisions at energies available at the BNL Relativistic Heavy Ion Collider and in p +Pb collisions at energies available at the CERN Large Hadron Collider. We study the centrality dependencies and the spatial distributions of electromagnetic fields. We further investigate the azimuthal fluctuations of the magnetic field and its correlation with the fluctuating geometry using event-by-event simulations. We find that the azimuthal correlation 〈" close="〉cos(ϕα+ϕβ-2 ΨRP)〉">cos2 (ΨB-Ψ2) between the magnetic field direction and the second-harmonic participant plane is almost zero in small systems with high multiplicities, but not in those with low multiplicities. This indicates that the charge azimuthal correlation is not a valid probe to study the chiral magnetic effect (CME) in small systems with high multiplicities. However, we suggest searching for possible CME effects in small systems with low multiplicities.

Trace Uranium Partitioning in a Multiphase Nano-FeOOH System

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

McBriarty, Martin E.; Soltis, Jennifer A.; Kerisit, Sebastien

The characterization of trace elements in nanomaterials using extended X-ray absorption fine structure (EXAFS) spectroscopy constitutes a first step toward understanding how impurities or dopants affect the properties of the host phase. However, limitations to EXAFS interpretation complicate the analysis of trace concentrations of impurities that are distributed across multiple phases in a heterogeneous system. Ab initio molecular dynamics (AIMD)-informed EXAFS analysis was employed to investigate the immobilization of trace uranium associated with nanophase iron (oxyhydr)oxides, a model system for the geochemical sequestration of radiotoxic contaminants. The reductive transformation of ferrihydrite (Fe(OH)3) to nano-particulate iron oxyhydroxide minerals in the presencemore » of uranyl (UO2)2+(aq) resulted in the preferential incorporation of U into goethite (a-FeOOH) over lepidocrocite (g-FeOOH), even though reaction conditions favored the formation of excess lepidocrocite. This unexpected result is supported by atomically resolved transmission electron microscopy. Using this model system, we demonstrate how AIMD-informed EXAFS analysis lifts the strict statistical limitations of traditional shell-by-shell EXAFS modeling, enabling the detailed analysis of the local bonding environment, charge compensation mechanisms, and oxidation states of polyvalent impurities in complex multi-phase nano-systems.« less

Non-Ideality in Solvent Extraction Systems: PNNL FY 2014 Status Report

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

Levitskaia, Tatiana G.; Chatterjee, Sayandev; Pence, Natasha K.

The overall objective of this project is to develop predictive modeling capabilities for advanced fuel cycle separation processes by gaining a fundamental quantitative understanding of non-ideality effects and speciation in relevant aqueous and organic solutions. Aqueous solutions containing actinides and lanthanides encountered during nuclear fuel reprocessing have high ionic strength and do not behave as ideal solutions. Activity coefficients must be calculated to take into account the deviation from ideality and predict their behavior. In FY 2012-2013, a convenient method for determining activity effects in aqueous electrolyte solutions was developed. Our initial experiments demonstrated that water activity and osmotic coefficientsmore » of the electrolyte solutions can be accurately measured by the combination of two techniques, a Water Activity Meter and Vapor Pressure Osmometry (VPO). The water activity measurements have been conducted for binary lanthanide solutions in wide concentration range for all lanthanides (La-Lu with the exception of Pm). The osmotic coefficients and Pitzer parameters for each binary system were obtained by the least squares fitting of the water activity data. However, application of Pitzer model for the quantitative evaluation of the activity effects in the multicomponent mixtures is difficult due to the large number of the required interaction parameters. In FY 2014, the applicability of the Bromley model for the determination of the Ln(NO 3) 3 activity coefficients was evaluated. The new Bromley parameters for the binary Ln(NO 3) 3 electrolytes were obtained based on the available literature and our experimental data. This allowed for the accurate prediction of the Ln(NO 3) 3 activity coefficients for the binary Ln(NO 3) 3 electrolytes. This model was then successfully implemented for the determination of the Ln(NO 3) 3 activity coefficients in the ternary Nd(NO 3) 3/HNO 3/H2O, Eu(NO 3) 3/HNO 3/H 2O, and Eu(NO 3) 3/NaNO 3/H 2O systems. The main achievement of this work is the verified pathway for the estimation of the activity coefficients in the multicomponent aqueous electrolyte systems. The accurate Bromley electrolytes contributions obtained in this work for the entire series of lanthanide(III) nitrates (except Pm) can be applied for predicting activity coefficients and non-ideality effects for multi-component systems containing these species. This work also provides the proof-of-principle of extending the model to more complex multicomponent systems. Moreover, this approach can also be applied to actinide-containing electrolyte systems, for determination of the activity coefficients in concentrated radioactive solutions.« less

Dynamics of High Pressure Reacting Shear Flows

DTIC Science & Technology

2015-10-02

liquid rockets, future gas turbines • When the combustion systems are for propulsion, limited tankage dictates that on-board propellants be stored in...system dynamics • Combustion dynamics always includes acoustic waves, which in enclosed systems can sometimes reach detrimental amplitudes – eg...a high pressure, chemically reacting, multiphase, acoustically driven, shear flow in the form of a coaxial jet flame • Explore how the presence of

Membrane contactor assisted water extraction system for separating hydrogen peroxide from a working solution, and method thereof

DOEpatents

Snyder, Seth W [Lincolnwood, IL; Lin, Yupo J [Naperville, IL; Hestekin', Jamie A [Fayetteville, AR; Henry, Michael P [Batavia, IL; Pujado, Peter [Kildeer, IL; Oroskar, Anil [Oak Brook, IL; Kulprathipanja, Santi [Inverness, IL; Randhava, Sarabjit [Evanston, IL

2010-09-21

The present invention relates to a membrane contactor assisted extraction system and method for extracting a single phase species from multi-phase working solutions. More specifically one preferred embodiment of the invention relates to a method and system for membrane contactor assisted water (MCAWE) extraction of hydrogen peroxide (H.sub.2O.sub.2) from a working solution.

Membrane contactor assisted extraction/reaction process employing ionic liquids

DOEpatents

Lin, Yupo J [Naperville, IL; Snyder, Seth W [Lincolnwood, IL

2012-02-07

The present invention relates to a functionalized membrane contactor extraction/reaction system and method for extracting target species from multi-phase solutions utilizing ionic liquids. One preferred embodiment of the invented method and system relates to an extraction/reaction system wherein the ionic liquid extraction solutions act as both extraction solutions and reaction mediums, and allow simultaneous separation/reactions not possible with prior art technology.

Multicomponent synthesis of 4,4-dimethyl sterol analogues and their effect on eukaryotic cells.

PubMed

Alonso, Fernando; Cirigliano, Adriana M; Dávola, María Eugenia; Cabrera, Gabriela M; García Liñares, Guadalupe E; Labriola, Carlos; Barquero, Andrea A; Ramírez, Javier A

2014-06-01

Most sterols, such as cholesterol and ergosterol, become functional only after the removal of the two methyl groups at C-4 from their biosynthetic precursors. Nevertheless, some findings suggest that 4,4-dimethyl sterols might be involved in specific physiological processes. In this paper we present the synthesis of a collection of analogues of 4,4-dimethyl sterols with a diamide side chain and a preliminary analysis of their in vitro activity on selected biological systems. The key step for the synthesis involves an Ugi condensation, a versatile multicomponent reaction. Some of the new compounds showed antifungal and cytotoxic activity. Copyright © 2014 Elsevier Inc. All rights reserved.

Stochastic resonance algorithm applied to quantitative analysis for weak chromatographic signals of alkyl halides and alkyl benzenes in water samples.

PubMed

Xiang, Suyun; Wang, Wei; Xia, Jia; Xiang, Bingren; Ouyang, Pingkai

2009-09-01

The stochastic resonance algorithm is applied to the trace analysis of alkyl halides and alkyl benzenes in water samples. Compared to encountering a single signal when applying the algorithm, the optimization of system parameters for a multicomponent is more complex. In this article, the resolution of adjacent chromatographic peaks is first involved in the optimization of parameters. With the optimized parameters, the algorithm gave an ideal output with good resolution as well as enhanced signal-to-noise ratio. Applying the enhanced signals, the method extended the limit of detection and exhibited good linearity, which ensures accurate determination of the multicomponent.

New eutectic alloys and their heats of transformation

NASA Technical Reports Server (NTRS)

Farkas, D.; Birchenall, C. E.

1985-01-01

Eutectic compositions and congruently melting intermetallic compounds in binary and multicomponent systems among common elements such as Al, Ca, Cu, Mg, P, Si, and Zn may be useful for high temperature heat storage. In this work, heats of fusion of new multicomponent eutectics and intermetallic phases are reported, some of which are competitive with molten salts in heat storage density at high temperatures. The method used to determine unknown eutectic compositions combined results of differential thermal analysis, metallography, and microprobe analysis. The method allows determination of eutectic compositions in no more than three steps. The heats of fusion of the alloys were measured using commercial calorimeters, a differential thermal analyzer, and a differential scanning calorimeter.

Salicylaldehydes as privileged synthons in multicomponent reactions

NASA Astrophysics Data System (ADS)

Momahed Heravi, M.; Zadsirjan, V.; Mollaiye, M.; Heydari, M.; Taheri Kal Koshvandi, A.

2018-06-01

Salicylaldehyde (2-hydroxybenzaldehyde) bearing two different active functional groups, namely, a hydroxy group and an aldehyde group, finds wide application as a key chemical in a variety of industrial processes, especially in the large-scale production of pharmaceuticals. Salicylaldehyde and most of its derivatives are commercially available or readily accessible, and hence are ideal starting materials for multicomponent reactions (MCRs), mostly in pseudo-three and four-component ones, giving rise to a plethora of heterocyclic systems. The importance of salicylaldehyde and an impressive amount of studies concerning its applications in MCRs prompted us to highlight in this review the important role of this compound as a privileged synthon in the synthesis of heterocycles. The bibliography includes 276 references.

Multi-phase SPH modelling of violent hydrodynamics on GPUs

NASA Astrophysics Data System (ADS)

Mokos, Athanasios; Rogers, Benedict D.; Stansby, Peter K.; Domínguez, José M.

2015-11-01

This paper presents the acceleration of multi-phase smoothed particle hydrodynamics (SPH) using a graphics processing unit (GPU) enabling large numbers of particles (10-20 million) to be simulated on just a single GPU card. With novel hardware architectures such as a GPU, the optimum approach to implement a multi-phase scheme presents some new challenges. Many more particles must be included in the calculation and there are very different speeds of sound in each phase with the largest speed of sound determining the time step. This requires efficient computation. To take full advantage of the hardware acceleration provided by a single GPU for a multi-phase simulation, four different algorithms are investigated: conditional statements, binary operators, separate particle lists and an intermediate global function. Runtime results show that the optimum approach needs to employ separate cell and neighbour lists for each phase. The profiler shows that this approach leads to a reduction in both memory transactions and arithmetic operations giving significant runtime gains. The four different algorithms are compared to the efficiency of the optimised single-phase GPU code, DualSPHysics, for 2-D and 3-D simulations which indicate that the multi-phase functionality has a significant computational overhead. A comparison with an optimised CPU code shows a speed up of an order of magnitude over an OpenMP simulation with 8 threads and two orders of magnitude over a single thread simulation. A demonstration of the multi-phase SPH GPU code is provided by a 3-D dam break case impacting an obstacle. This shows better agreement with experimental results than an equivalent single-phase code. The multi-phase GPU code enables a convergence study to be undertaken on a single GPU with a large number of particles that otherwise would have required large high performance computing resources.

Modal Identification in an Automotive Multi-Component System Using HS 3D-DIC

PubMed Central

López-Alba, Elías; Felipe-Sesé, Luis; Díaz, Francisco A.

2018-01-01

The modal characterization of automotive lighting systems becomes difficult using sensors due to the light weight of the elements which compose the component as well as the intricate access to allocate them. In experimental modal analysis, high speed 3D digital image correlation (HS 3D-DIC) is attracting the attention since it provides full-field contactless measurements of 3D displacements as main advantage over other techniques. Different methodologies have been published that perform modal identification, i.e., natural frequencies, damping ratios, and mode shapes using the full-field information. In this work, experimental modal analysis has been performed in a multi-component automotive lighting system using HS 3D-DIC. Base motion excitation was applied to simulate operating conditions. A recently validated methodology has been employed for modal identification using transmissibility functions, i.e., the transfer functions from base motion tests. Results make it possible to identify local and global behavior of the different elements of injected polymeric and metallic materials. PMID:29401725

40 CFR 59.506 - How do I demonstrate compliance if I manufacture multi-component kits?

Code of Federal Regulations, 2010 CFR

2010-07-01

... 40 Protection of Environment 5 2010-07-01 2010-07-01 false How do I demonstrate compliance if I manufacture multi-component kits? 59.506 Section 59.506 Protection of Environment ENVIRONMENTAL PROTECTION... § 59.506 How do I demonstrate compliance if I manufacture multi-component kits? (a) If you manufacture...

Multicomponent mesofluidic system for the detection of veterinary drug residues based on competitive immunoassay.

PubMed

Hu, Lei; Zuo, Peng; Ye, Bang-Ce

2010-10-01

An automated multicomponent mesofluidic system (MCMS) based on biorecognitions carried out on meso-scale glass beads in polydimethylsiloxane (PDMS) channels was developed. The constructed MCMS consisted of five modules: a bead introduction module, a bioreaction module, a solution handling module, a liquid driving module, and a signal collection module. The integration of these modules enables the assay to be automated and reduces it to a one-step protocol. The MCMS has successfully been applied toward the detection of veterinary drug residues in animal-derived foods. The drug antigen-coated beads (varphi250 microm) were arrayed in the PDMS channels (varphi300 microm). The competitive immunoassay was then carried out on the surface of the glass beads. After washing, the Cy3-labeled secondary antibody was introduced to probe the antigen-antibody complex anchored to the beads. The fluorescence intensity of each bead was measured and used to determine the residual drug concentration. The MCMS is highly sensitive, with its detection limits ranging from 0.02 (salbutamol) to 3.5 microg/L (sulfamethazine), and has a short assay time of 45 min or less. The experimental results demonstrate that the MCMS proves to be an economic, efficient, and sensitive platform for multicomponent detection of compound residues for contamination in foods or the environment. Copyright 2010 Elsevier Inc. All rights reserved.

Multicomponent DNA carrier with a vesicular stomatitis virus G-peptide greatly enhances liver-targeted gene expression in mice.

PubMed

Schuster, M J; Wu, G Y; Walton, C M; Wu, C H

1999-01-01

Genes can be targeted to hepatocytes in vitro and in vivo by the use of asialoorosomucoid-polylysine conjugates. After systemic application, this nonviral vector is recognized by highly selective asialoglycoprotein (AsGP) receptors on the sinusoidal liver cell membrane and is taken up via receptor-mediated endocytosis. As most of the DNA is rapidly transferred to lysosomes where it is degraded, transfection efficiency is low and gene expression transient. To address this problem, we incorporated a pH-dependent synthetic hemolytic peptide derived of the G-protein of Vesicular Stomatitis Virus (VSV) into the gene transfer system, to increase endosomal escape of internalized DNA. The multicomponent carrier binds DNA in a nondamaging way, is still recognized by the AsGP receptor, and is targeted to the liver in vivo. Injection of DNA complexes containing a luciferase marker gene resulted in luciferase expression of 29 000 pg/g liver which corresponded to an increase of a factor of 10(3) overexpression after injection of DNA complexes without endosomolytic peptide. Furthermore, the amount of intact transgene within isolated liver cell nuclei was increased by a factor of 10(1)-10(2) by the use of the multicomponent carriers. These results demonstrate that incorporation of a hemolytic peptide into a nonviral vector can greatly increase gene expression while retaining cell type targetability in vivo.

[Mathematic modeling and experimental validation of macrostate quality expression for multicomponent in Chinese materia medica].

PubMed

He, Fuyuan; Deng, Kaiwen; Shi, Jilian; Liu, Wenlong; Pi, Fengjuan

2011-11-01

To establish the unitive multicomponent quality system bridged macrostate mathematic model parameters of material quality and microstate component concentration for Chinese materia medica (CMM). According to law of biologic laws of thermodynamics, the state functions of macrostate qulity of the CMM were established. The validation test was carried out as modeling drug as alcohol extract of Radix Rhozome (AERR), their enthalpy of combustion was determined, and entropy and the capability of information by chromatographic fingerprint were assayed, and then the biologic apparent macrostate parameters were calculated. The biologic macrostate mathematic models, for the CMM quality controll, were established as parameters as the apparent equilibrium constant, biologic enthalpy, Gibbs free energy and biologic entropy etc. The total molarity for the 10 batchs of AERR were 0.153 4 mmol x g(-1) with 28.26% of RSD, with the average of apparent equilibrium constants, biologic enthalpy, Gibbs free energy and biologic entropy were 0.039 65, 8 005 J x mol(-1), -2.408 x 10(7) J x mol(-1) and - 8.078 x 10(4) J x K(-1) with RSD as 6.020%, 1.860%, 42.32% and 42.31%, respectively. The macrostate quality models for CMM can represent their intrinsic quality for multicomponent dynamic system such as the CMM, to manifest out as if the forest away from or tree near from to see it.

Viscous and gravitational fingering in multiphase compositional and compressible flow

NASA Astrophysics Data System (ADS)

Moortgat, Joachim

2016-03-01

Viscous and gravitational fingering refer to flow instabilities in porous media that are triggered by adverse mobility or density ratios, respectively. These instabilities have been studied extensively in the past for (1) single-phase flow (e.g., contaminant transport in groundwater, first-contact-miscible displacement of oil by gas in hydrocarbon production), and (2) multi-phase immiscible and incompressible flow (e.g., water-alternating-gas (WAG) injection in oil reservoirs). Fingering in multiphase compositional and compressible flow has received much less attention, perhaps due to its high computational complexity. However, many important subsurface processes involve multiple phases that exchange species. Examples are carbon sequestration in saline aquifers and enhanced oil recovery (EOR) by gas or WAG injection below the minimum miscibility pressure. In multiphase flow, relative permeabilities affect the mobility contrast for a given viscosity ratio. Phase behavior can also change local fluid properties, which can either enhance or mitigate viscous and gravitational instabilities. This work presents a detailed study of fingering behavior in compositional multiphase flow in two and three dimensions and considers the effects of (1) Fickian diffusion, (2) mechanical dispersion, (3) flow rates, (4) domain size and geometry, (5) formation heterogeneities, (6) gravity, and (7) relative permeabilities. Results show that fingering in compositional multiphase flow is profoundly different from miscible conditions and upscaling techniques used for the latter case are unlikely to be generalizable to the former.

Design and fabrication of biomimetic multiphased scaffolds for ligament-to-bone fixation.

PubMed

He, Jiankang; Zhang, Wenyou; Liu, Yaxiong; Li, Xiang; Li, Dichen; Jin, Zhongmin

2015-05-01

Conventional ligament grafts with single material composition cannot effectively integrate with the host bones due to mismatched properties and eventually affect their long-term function in vivo. Here we presented a multi-material strategy to design and fabricate composite scaffolds including ligament, interface and bone multiphased regions. The interface region consists of triphasic layers with varying material composition and porous structure to mimic native ligament-to-bone interface while the bone region contains polycaprolactone (PCL) anchor and microchanneled ceramic scaffolds to potentially provide combined mechanical and biological implant-bone fixation. Finite element analysis (FEA) demonstrated that the multiphased scaffolds with interference value smaller than 0.5 mm could avoid the fracture of ceramic scaffold during the implantation process, which was validated by in-vitro implanting the multiphased scaffolds into porcine joint bones. Pull-out experiment showed that the initial fixation between the multiphased scaffolds with 0.47 mm interference and the host bones could withstand the maximum force of 360.31±97.51 N, which can be improved by reinforcing the ceramic scaffolds with biopolymers. It is envisioned that the multiphased scaffold could potentially induce the regeneration of a new bone as well as interfacial tissue with the gradual degradation of the scaffold and subsequently realize long-term biological fixation of the implant with the host bone. Copyright © 2015 Elsevier B.V. All rights reserved.

Multicomponent systems with cyclodextrins and hydrophilic polymers for the delivery of Efavirenz.

PubMed

Vieira, Alexandre Couto Carneiro; Ferreira Fontes, Danilo Augusto; Chaves, Luise Lopes; Alves, Lariza Darlene Santos; de Freitas Neto, José Lourenço; de La Roca Soares, Monica Felts; Soares-Sobrinho, Jose L; Rolim, Larissa Araújo; Rolim-Neto, Pedro José

2015-10-05

Efavirenz (EFZ) is one of the most used drugs in the treatment of AIDS and is the first antiretroviral choice. However, since it has low solubility, it does not exhibit suitable bioavailability, which interferes with its therapeutic action and is classified as a class II drug according Biopharmaceutical Classification System (low solubility and high permeability). Among several drug delivery systems, the multicomponent systems with cyclodextrins and hydrophilic polymers are a promising alternative for increasing the aqueous solubility of the drug. The present study aimed to develop and characterize in a ternary system of EFZ, MβCD and PVP K30. The results showed that the solid ternary system provided a large increase in the dissolution rate which was greater than 80% and was characterized by DSC, TG, XRD, FT-IR and SEM. The use of the ternary system (EFZ, MβCD and PVP K30 1%) proved to be a viable, effective and safe delivery of the drug. The addition of the hydrophilic polymer appeared to be suitable for the development of a solid oral pharmaceutical product, with possible industrial scale-up and with low concentration of CDs (cyclodextrins). Copyright © 2015 Elsevier Ltd. All rights reserved.

Parallel multiphase microflows: fundamental physics, stabilization methods and applications.

PubMed

Aota, Arata; Mawatari, Kazuma; Kitamori, Takehiko

2009-09-07

Parallel multiphase microflows, which can integrate unit operations in a microchip under continuous flow conditions, are discussed. Fundamental physics, stabilization methods and some applications are shown.

Offshore multiphase meter nears acceptable accuracy level

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

Gaisford, S.; Amdal, J.; Berentsen, H.

1993-05-17

Companies worldwide are looking for new production methods for offshore oil fields. In many areas, undeveloped smaller fields cannot bear the cost of dedicated production facilities. Multiphase transportation to existing production facilities can extend the distance over which unseparated oil, water, and gas streams can be transported, from a limit of several kilometers today to perhaps 200 km in the future. An encouraging multiphase meter test was sponsored by Saga Petroleum AS and carried out by Den norske stats oljeselskap AS (Statoil) on the Gullfaks B platform, Norwegian sector of the North Sea. The complete multiphase meter has two separatemore » meters. One is the composition meter for measuring the instantaneous volume or mass fractions of oil, water, and gas in the sensor. The other is a velocity meter for determining the speed of the mixture through the sensor. An instantaneous volume or mass production rate for each component is calculated by combining the outputs from the two meters. The paper describes the multiphase meter; measurements; limitations; the test setup; calibration; test results for the composition meter, velocity meter, and production rates; and future plans.« less

Shock tube Multiphase Experiments

NASA Astrophysics Data System (ADS)

Middlebrooks, John; Allen, Roy; Paudel, Manoj; Young, Calvin; Musick, Ben; McFarland, Jacob

2017-11-01

Shock driven multiphase instabilities (SDMI) are unique physical phenomena that have far-reaching practical applications in engineering and science. The instability is present in high energy explosions, scramjet combustors, and supernovae events. The SDMI arises when a multiphase interface is impulsively accelerated by the passage of a shockwave. It is similar in development to the Richtmyer-Meshkov (RM) instability however, particle-to-gas coupling is the driving mechanism of the SDMI. As particle effects such as lag and phase change become more prominent, the SDMI's development begins to significantly deviate from the RM instability. We have developed an experiment for studying the SDMI in our shock tube facility. In our experiments, a multiphase interface is created using a laminar jet and flowed into the shock tube where it is accelerated by the passage of a planar shockwave. The interface development is captured using CCD cameras synchronized with planar laser illumination. This talk will give an overview of new experiments conducted to examine the development of a shocked cylindrical multiphase interface. The effects of Atwood number, particle size, and a second acceleration (reshock) of the interface will be discussed.

Design and Construction of a Shock Tube Experiment for Multiphase Instability Experiments

NASA Astrophysics Data System (ADS)

Middlebrooks, John; Black, Wolfgang; Avgoustopoulos, Constantine; Allen, Roy; Kathakapa, Raj; Guo, Qiwen; McFarland, Jacob

2016-11-01

Hydrodynamic instabilities are important phenomena that have a wide range of practical applications in engineering and physics. One such instability, the shock driven multiphase instability (SDMI), arises when a shockwave accelerates an interface between two particle-gas mixtures with differing multiphase properties. The SDMI is present in high energy explosives, scramjets, and supernovae. A practical way of studying shock wave driven instabilities is through experimentation in a shock tube laboratory. This poster presentation will cover the design and data acquisition process of the University of Missouri's Fluid Mixing Shock Tube Laboratory. In the shock tube, a pressure generated shockwave is passed through a multiphase interface, creating the SDMI instability. This can be photographed for observation using high speed cameras, lasers, and advance imaging techniques. Important experimental parameters such as internal pressure and temperature, and mass flow rates of gases can be set and recorded by remotely controlled devices. The experimental facility provides the University of Missouri's Fluid Mixing Shock Tube Laboratory with the ability to validate simulated experiments and to conduct further inquiry into the field of shock driven multiphase hydrodynamic instabilities. Advisor.

Maxwell-Stefan diffusion coefficient estimation for ternary systems: an ideal ternary alcohol system.

PubMed

Allie-Ebrahim, Tariq; Zhu, Qingyu; Bräuer, Pierre; Moggridge, Geoff D; D'Agostino, Carmine

2017-06-21

The Maxwell-Stefan model is a popular diffusion model originally developed to model diffusion of gases, which can be considered thermodynamically ideal mixtures, although its application has been extended to model diffusion in non-ideal liquid mixtures as well. A drawback of the model is that it requires the Maxwell-Stefan diffusion coefficients, which are not based on measurable quantities but they have to be estimated. As a result, numerous estimation methods, such as the Darken model, have been proposed to estimate these diffusion coefficients. However, the Darken model was derived, and is only well defined, for binary systems. This model has been extended to ternary systems according to two proposed forms, one by R. Krishna and J. M. van Baten, Ind. Eng. Chem. Res., 2005, 44, 6939-6947 and the other by X. Liu, T. J. H. Vlugt and A. Bardow, Ind. Eng. Chem. Res., 2011, 50, 10350-10358. In this paper, the two forms have been analysed against the ideal ternary system of methanol/butan-1-ol/propan-1-ol and using experimental values of self-diffusion coefficients. In particular, using pulsed gradient stimulated echo nuclear magnetic resonance (PGSTE-NMR) we have measured the self-diffusion coefficients in various methanol/butan-1-ol/propan-1-ol mixtures. The experimental values of self-diffusion coefficients were then used as the input data required for the Darken model. The predictions of the two proposed multicomponent forms of this model were then compared to experimental values of mutual diffusion coefficients for the ideal alcohol ternary system. This experimental-based approach showed that the Liu's model gives better predictions compared to that of Krishna and van Baten, although it was only accurate to within 26%. Nonetheless, the multicomponent Darken model in conjunction with self-diffusion measurements from PGSTE-NMR represents an attractive method for a rapid estimation of mutual diffusion in multicomponent systems, especially when compared to exhaustive MD simulations.

Analysis of possible designs of processing units with radial plasma flows

NASA Astrophysics Data System (ADS)

Kolesnik, V. V.; Zaitsev, S. V.; Vashilin, V. S.; Limarenko, M. V.; Prochorenkov, D. S.

2018-03-01

Analysis of plasma-ion methods of obtaining thin-film coatings shows that their development goes along the path of the increasing use of sputter deposition processes, which allow one to obtain multicomponent coatings with varying percentage of particular components. One of the methods that allow one to form multicomponent coatings with virtually any composition of elementary components is the method of coating deposition using quasi-magnetron sputtering systems [1]. This requires the creation of an axial magnetic field of a defined configuration with the flux density within the range of 0.01-0.1 T [2]. In order to compare and analyze various configurations of processing unit magnetic systems, it is necessary to obtain the following dependencies: the dependency of magnetic core section on the input power to inductors, the distribution of magnetic induction within the equatorial plane in the corresponding sections, the distribution of the magnetic induction value in the area of cathode target location.

Possibility of determination of the level of antioxidants in human body using spectroscopic methods

NASA Astrophysics Data System (ADS)

Timofeeva, E.; Gorbunova, E.

2016-08-01

In this work, the processes of antioxidant defence against aggressive free radicals in human body were investigated theoretically; and the existing methods of diagnosis of oxidative stress and disturbance of antioxidant activity were reviewed. Also, the kinetics of free radical reactions in the oxidation of luminol and interaction antioxidants (such as chlorophyll in the multicomponent system of plant's leaves and ubiquinone) with the UV radiation were investigated experimentally by spectroscopic method. The results showed that this method is effective for recording the luminescence of antioxidants, free radicals, chemiluminescent reactions and fluorescence. In addition these results reveal new opportunities for the study of the antioxidant activity and antioxidant balance in a multicomponent system by allocating features of the individual components in spectral composition. A creation of quality control method for drugs, that are required for oxidative stress diagnosis, is a promising direction in the development of given work.

Encapsulation system for the immunoisolation of living cells

NASA Technical Reports Server (NTRS)

Lacik, Igor (Inventor); Brissova, Marcela (Inventor); Wang, Taylor G. (Inventor); Anikumar, Amrutur V. (Inventor); Prokop, Ales (Inventor); Powers, Alvin C. (Inventor)

1999-01-01

The present invention is drawn to a composition of matter comprising high viscosity sodium alginate, cellulose sulfate and a multi-component polycation. Additionally, the present invention provides methods for making capsules, measuring capsule permeability to immunologically-relevant proteins and treating disease in an animal using encapsulated cells. Over one thousand combinations of polyanions and polycations were examined as polymer candidates suitable for encapsulation of living cells and thirty-three pairs were effective. The combination of sodium alginate, cellulose sulfate, poly(methylene-co-guanidine) hydrochloride, calcium chloride, and sodium chloride produced the most desirable results. Pancreatic islets encapsulated in this multicomponent capsule demonstrated glucose-stimulated insulin secretion in vitro and reversed diabetes without stimulating immune reaction in mice. The capsule formulation and system of the present invention allows independent adjustments of capsule size, wall thickness, mechanical strength and permeability, and offers distinct advantages for immunoisolating cells.

A generalized procedure for the prediction of multicomponent adsorption equilibria

DOE PAGES

Ladshaw, Austin; Yiacoumi, Sotira; Tsouris, Costas

2015-04-07

Prediction of multicomponent adsorption equilibria has been investigated for several decades. While there are theories available to predict the adsorption behavior of ideal mixtures, there are few purely predictive theories to account for nonidealities in real systems. Most models available for dealing with nonidealities contain interaction parameters that must be obtained through correlation with binary-mixture data. However, as the number of components in a system grows, the number of parameters needed to be obtained increases exponentially. Here, a generalized procedure is proposed, as an extension of the predictive real adsorbed solution theory, for determining the parameters of any activity model,more » for any number of components, without correlation. This procedure is then combined with the adsorbed solution theory to predict the adsorption behavior of mixtures. As this method can be applied to any isotherm model and any activity model, it is referred to as the generalized predictive adsorbed solution theory.« less

Gels and gel-derived glasses in the Na2O-B2O3-SiO2 system. [containerless melting in space

NASA Technical Reports Server (NTRS)

Mukherjee, S. P.

1982-01-01

The containerless melting of high-purity multicomponent homogeneous gels and gel-monoliths offers a unique approach to making ultrapure multicomponent optical glasses in the reduced gravity environment of space. Procedures for preparing and characterizing gels and gel-derived glasses in the Na2O-B2O3-SiO2 system are described. Preparation is based on the polymerization reactions of alkoxysilane with trimethyl borate or boric acid and a suitable sodium compound. The chemistry of the gelling process is discussed in terms of process parameters and the gel compositions. The physicochemical nature of gels prepared by three different procedures were found to be significantly different. IR absorption spectra indicate finite differences in the molecular structures of the different gels. The melting of the gel powders and the transformation of porous gel-monoliths to transparent 'glass' without melting are described.

Gels and gel-derived glasses in the system Na2O-B2O3-SiO2

NASA Technical Reports Server (NTRS)

Mukherjee, S. P.

1983-01-01

The containerless melting of high-purity multicomponent homogeneous gels and gel monoliths offers a unique approach to making ultrapure multicomponent optical glasses in the reduced gravity environment of space. Procedures for preparing and characterizing gels and gel-derived glasses in the system Na2O-B2O3-SiO2 are described. Preparation is based on the polymerization reactions of alkoxysilane with trimethyl borate or boric acid and a suitable sodium compound. The chemistry of the gelling process is discussed in terms of process parameters and the gel compositions. The physicochemical nature of gels prepared by three different procedures was found to be significantly different. Infrared absorption spectra indicate finite differences in the molecular structures of the different gels. The melting of the gel powders and the transformation of porous gel monoliths to transparent 'glass' without melting are described.

Method of joining ITM materials using a partially or fully-transient liquid phase

DOEpatents

Butt, Darryl Paul; Cutler, Raymond Ashton; Rynders, Steven Walton; Carolan, Michael Francis

2006-03-14

A method of forming a composite structure includes: (1) providing first and second sintered bodies containing first and second multicomponent metallic oxides having first and second identical crystal structures that are perovskitic or fluoritic; (2) providing a joint material containing at least one metal oxide: (a) containing (i) at least one metal of an identical IUPAC Group as at least one sintered body metal in one of the multicomponent metallic oxides, (ii) a first row D-Block transition metal not contained in the multicomponent metallic oxides, and/or (iii) a lanthanide not contained in the multicomponent metallic oxides; (b) free of metals contained in the multicomponent metallic oxides; (c) free of cations of boron, silicon, germanium, tin, lead, arsenic, antimony, phosphorus and tellurium; and (d) having a melting point below the sintering temperatures of the sintered bodies; and (3) heating to a joining temperature above the melting point and below the sintering temperatures.

[Exploration of one-step preparation of Ganoderma lucidum multicomponent microemulsion].

PubMed

He, Jun-Jie; Chen, Yan; Du, Meng; Cao, Wei; Yuan, Ling; Zheng, Li-Yan

2013-03-01

To explore one-step method for the preparation of Ganoderma lucidum multicomponent microemulsion, according to the dissolution characteristics of triterpenes and polysaccharides in Ganoderma lucidum, formulation of the microemulsion was optimized. The optimal blank microemulsion was used as a solvent to sonicate the Ganoderma lucidum powder to prepare the multicomponent microemulsion, besides, its physicochemical properties were compared with the microemulsion made by conventional method. The results showed that the multicomponent microemulsion was characterized as (43.32 +/- 6.82) nm in size, 0.173 +/- 0.025 in polydispersity index (PDI) and -(3.98 +/- 0.82) mV in zeta potential. The contents of Ganoderma lucidum triterpenes and polysaccharides were (5.95 +/- 0.32) and (7.58 +/- 0.44) mg x mL(-1), respectively. Sonicating Ganoderma lucidum powder by blank microemulsion could prepare the multicomponent microemulsion. Compared with the conventional method, this method is simple and low cost, which is suitable for industrial production.

Interfacial Area Development in Two-Phase Fluid Flow: Transient vs. Quasi-Static Flow Conditions

NASA Astrophysics Data System (ADS)

Meisenheimer, D. E.; Wildenschild, D.

2017-12-01

Fluid-fluid interfaces are important in multiphase flow systems in the environment (e.g. groundwater remediation, geologic CO2 sequestration) and industry (e.g. air stripping, fuel cells). Interfacial area controls mass transfer, and therefore reaction efficiency, between the different phases in these systems but they also influence fluid flow processes. There is a need to better understand this relationship between interfacial area and fluid flow processes so that more robust theories and models can be built for engineers and policy makers to improve the efficacy of many multiphase flow systems important to society. Two-phase flow experiments were performed in glass bead packs under transient and quasi-static flow conditions. Specific interfacial area was calculated from 3D images of the porous media obtained using the fast x-ray microtomography capability at the Advanced Photon Source. We present data suggesting a direct relationship between the transient nature of the fluid-flow experiment (fewer equilibrium points) and increased specific interfacial area. The effect of flow condition on Euler characteristic (a representative measure of fluid topology) will also be presented.

Raman correlation spectroscopy: A feasibility study of a new optical correlation technique and development of multi-component nanoparticles using the reprecipitation method

NASA Astrophysics Data System (ADS)

Nishida, Maki

The feasibility of Raman correlation spectroscopy (RCS) is investigated as a new temporal optical fluctuation spectroscopy in this dissertation. RCS analyzes the correlations of the intensity fluctuations of Raman scattering from particles in a suspension that undergo Brownian motion. Because each Raman emission line arises from a specific molecular bond, the RCS method could yield diffusion behavior of specific chemical species within a dispersion. Due to the nature of Raman scattering as a coherent process, RCS could provide similar information as acquired in dynamic light scattering (DLS) and be practical for various applications that requires the chemical specificity in dynamical information. The theoretical development is discussed, and four experimental implementations of this technique are explained. The autocorrelation of the intensity fluctuations from a beta-carotene solution is obtained using the some configurations; however, the difficulty in precise alignment and weak nature of Raman scattering prevented the achievement of high sensitivity and resolution. Possible fluctuations of the phase of Raman scattering could also be affecting the results. A possible explanation of the observed autocorrelation in terms of number fluctuations of particles is also examined to test the feasibility of RCS as a new optical characterization method. In order to investigate the complex systems for which RCS would be useful, strategies for the creation of a multicomponent nanoparticle system are also explored. Using regular solution theory along with the concept of Hansen solubility parameters, an analytical model is developed to predict whether two or more components will form single nanoparticles, and what effect various processing conditions would have. The reprecipitation method was used to demonstrate the formation of the multi-component system of the charge transfer complex perylene:TCNQ (tetracyanoquinodimethane) and the active pharmaceutical ingredient cocrystal of CBZ:NCT (carbamazepine:nicotinamide). The experimental results with various characterization methods including DLS, absorption spectroscopy, powder x-ray diffraction, and SEM imaging, verify formation of the multicomponent cocrystals. The observation of the self-assembly of TCNQ crystals is also discussed.

Investigation of free vibration characteristics for skew multiphase magneto-electro-elastic plate

NASA Astrophysics Data System (ADS)

Kiran, M. C.; Kattimani, S.

2018-04-01

This article presents the investigation of skew multiphase magneto-electro-elastic (MMEE) plate to assess its free vibration characteristics. A finite element (FE) model is formulated considering the different couplings involved via coupled constitutive equations. The transformation matrices are derived to transform local degrees of freedom into the global degrees of freedom for the nodes lying on the skew edges. Effect of different volume fraction (Vf) on the free vibration behavior is explicitly studied. In addition, influence of width to thickness ratio, the aspect ratio, and the stacking arrangement on natural frequencies of skew multiphase MEE plate investigated. Particular attention has been paid to investigate the effect of skew angle on the non-dimensional Eigen frequencies of multiphase MEE plate with simply supported edges.

Optimizing a community-engaged multi-level group intervention to reduce substance use: an application of the multiphase optimization strategy.

PubMed

Windsor, Liliane Cambraia; Benoit, Ellen; Smith, Douglas; Pinto, Rogério M; Kugler, Kari C

2018-04-27

Rates of alcohol and illicit drug use (AIDU) are consistently similar across racial groups (Windsor and Negi, J Addict Dis 28:258-68, 2009; Keyes et al. Soc Sci Med 124:132-41, 2015). Yet AIDU has significantly higher consequences for residents in distressed communities with concentrations of African Americans (DCAA - i.e., localities with high rates of poverty and crime) who also have considerably less access to effective treatment of substance use disorders (SUD). This project is optimizing Community Wise, an innovative multi-level behavioral-health intervention created in partnership with service providers and residents of distressed communities with histories of SUD and incarceration, to reduce health inequalities related to AIDU. Grounded in critical consciousness theory, community-based participatory research principles (CBPR), and the multiphase optimization strategy (MOST), this study employs a 2 × 2 × 2 × 2 factorial design to engineer the most efficient, effective, and scalable version of Community Wise that can be delivered for US$250 per person or less. This study is fully powered to detect change in AIDU in a sample of 528 men with a histories of SUD and incarceration, residing in Newark, NJ in the United States. A community collaborative board oversees recruitment using a variety of strategies including indigenous field worker sampling, facility-based sampling, community advertisement through fliers, and street outreach. Participants are randomly assigned to one of 16 conditions that include a combination of the following candidate intervention components: peer or licensed facilitator, group dialogue, personal goal development, and community organizing. All participants receive a core critical-thinking component. Data are collected at baseline plus five post-baseline monthly follow ups. Once the optimized Community Wise intervention is identified, it will be evaluated against an existing standard of care in a future randomized clinical trial. This paper describes the protocol of the first ever study using CBPR and MOST to optimize a substance use intervention targeting a marginalized population. Data from this study will culminate in an optimized Community Wise manual; enhanced methodological strategies to develop multi-component scalable interventions using MOST and CBPR; and a better understanding of the application of critical consciousness theory to the field of health inequalities related to AIDU. ClinicalTrials.gov, NCT02951455 . Registered on 1 November 2016.

Site-specific transition metal occupation in multicomponent pyrophosphate for improved electrochemical and thermal properties in lithium battery cathodes: a combined experimental and theoretical study.

PubMed

Shakoor, Rana A; Kim, Heejin; Cho, Woosuk; Lim, Soo Yeon; Song, Hannah; Lee, Jung Woo; Kang, Jeung Ku; Kim, Yong-Tae; Jung, Yousung; Choi, Jang Wook

2012-07-18

As an attempt to develop lithium ion batteries with excellent performance, which is desirable for a variety of applications including mobile electronics, electrical vehicles, and utility grids, the battery community has continuously pursued cathode materials that function at higher potentials with efficient kinetics for lithium insertion and extraction. By employing both experimental and theoretical tools, herein we report multicomponent pyrophosphate (Li(2)MP(2)O(7), M = Fe(1/3)Mn(1/3)Co(1/3)) cathode materials with novel and advantageous properties as compared to the single-component analogues and other multicomponent polyanions. Li(2)Fe(1/3)Mn(1/3)Co(1/3)P(2)O(7) is formed on the basis of a solid solution among the three individual transition-metal-based pyrophosphates. The unique crystal structure of pyrophosphate and the first principles calculations show that different transition metals have a tendency to preferentially occupy either octahedral or pyramidal sites, and this site-specific transition metal occupation leads to significant improvements in various battery properties: a single-phase mode for Li insertion/extraction, improved cell potentials for Fe(2+)/Fe(3+) (raised by 0.18 eV) and Co(2+)/Co(3+) (lowered by 0.26 eV), and increased activity for Mn(2+)/Mn(3+) with significantly reduced overpotential. We reveal that the favorable energy of transition metal mixing and the sequential redox reaction for each TM element with a sufficient redox gap is the underlying physical reason for the preferential single-phase mode of Li intercalation/deintercalation reaction in pyrophosphate, a general concept that can be applied to other multicomponent systems. Furthermore, an extremely small volume change of ~0.7% between the fully charged and discharged states and the significantly enhanced thermal stability are observed for the present material, the effects unseen in previous multicomponent battery materials.

Cascade multicomponent synthesis of indoles, pyrazoles, and pyridazinones by functionalization of alkenes.

PubMed

Matcha, Kiran; Antonchick, Andrey P

2014-10-27

The development of multicomponent reactions for indole synthesis is demanding and has hardly been explored. The present study describes the development of a novel multicomponent, cascade approach for indole synthesis. Various substituted indole derivatives were obtained from simple reagents, such as unfunctionalized alkenes, diazonium salts, and sodium triflinate, by using an established straightforward and regioselective method. The method is based on the radical trifluoromethylation of alkenes as an entry into Fischer indole synthesis. Besides indole synthesis, the application of the multicomponent cascade reaction to the synthesis of pyrazoles and pyridazinones is described. © 2014 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

An overview of TOUGH-based geomechanics models

DOE PAGES

Rutqvist, Jonny

2016-09-22

After the initial development of the first TOUGH-based geomechanics model 15 years ago based on linking TOUGH2 multiphase flow simulator to the FLAC3D geomechanics simulator, at least 15 additional TOUGH-based geomechanics models have appeared in the literature. This development has been fueled by a growing demand and interest for modeling coupled multiphase flow and geomechanical processes related to a number of geoengineering applications, such as in geologic CO 2 sequestration, enhanced geothermal systems, unconventional hydrocarbon production, and most recently, related to reservoir stimulation and injection-induced seismicity. This paper provides a short overview of these TOUGH-based geomechanics models, focusing on somemore » of the most frequently applied to a diverse set of problems associated with geomechanics and its couplings to hydraulic, thermal and chemical processes.« less

Optical Feedback Interferometry for Velocity Measurement of Parallel Liquid-Liquid Flows in a Microchannel

PubMed Central

Ramírez-Miquet, Evelio E.; Perchoux, Julien; Loubière, Karine; Tronche, Clément; Prat, Laurent; Sotolongo-Costa, Oscar

2016-01-01

Optical feedback interferometry (OFI) is a compact sensing technique with recent implementation for flow measurements in microchannels. We propose implementing OFI for the analysis at the microscale of multiphase flows starting with the case of parallel flows of two immiscible fluids. The velocity profiles in each phase were measured and the interface location estimated for several operating conditions. To the authors knowledge, this sensing technique is applied here for the first time to multiphase flows. Theoretical profiles issued from a model based on the Couette viscous flow approximation reproduce fairly well the experimental results. The sensing system and the analysis presented here provide a new tool for studying more complex interactions between immiscible fluids (such as liquid droplets flowing in a microchannel). PMID:27527178

Validation of a numerical method for interface-resolving simulation of multicomponent gas-liquid mass transfer and evaluation of multicomponent diffusion models

NASA Astrophysics Data System (ADS)

Woo, Mino; Wörner, Martin; Tischer, Steffen; Deutschmann, Olaf

2018-03-01

The multicomponent model and the effective diffusivity model are well established diffusion models for numerical simulation of single-phase flows consisting of several components but are seldom used for two-phase flows so far. In this paper, a specific numerical model for interfacial mass transfer by means of a continuous single-field concentration formulation is combined with the multicomponent model and effective diffusivity model and is validated for multicomponent mass transfer. For this purpose, several test cases for one-dimensional physical or reactive mass transfer of ternary mixtures are considered. The numerical results are compared with analytical or numerical solutions of the Maxell-Stefan equations and/or experimental data. The composition-dependent elements of the diffusivity matrix of the multicomponent and effective diffusivity model are found to substantially differ for non-dilute conditions. The species mole fraction or concentration profiles computed with both diffusion models are, however, for all test cases very similar and in good agreement with the analytical/numerical solutions or measurements. For practical computations, the effective diffusivity model is recommended due to its simplicity and lower computational costs.

Some aspects of multicomponent excess free energy models with subregular binaries

NASA Astrophysics Data System (ADS)

Cheng, Weiji; Ganguly, Jibamitra

1994-09-01

We have shown that two of the most commonly used multicomponent formulations of excess Gibbs free energy of mixing, those by WOHL (1946, 1953) and REDLICH and KISTER (1948), are formally equivalent if the binaries are constrained to have subregular properties, and also that other subregular multicomponent formulations developed in the mineralogical and geochemical literature are equivalent to, or higher order extensions of, these formulations. We have also presented a compact derivation of a multicomponent subregular solution leading to the same expression as derived by HELFFRICH and WOOD (1989). It is shown that Wohl's multicomponent formulation involves combination of binary excess free energies, which are calculated at compositions obtained by normal projection of the multicomponent composition onto the bounding binary joins, and is, thus, equivalent to the formulation developed by MUGGIANU et al. (1975). Finally, following the lead of HILLERT (1980), we have explored the limiting behavior of regular and subregular ternary solutions when a pair of components become energetically equivalent, and have, thus, derived an expression for calculating the ternary interaction parameter in a ternary solution from a knowledge of the properties of the bounding binaries, when one of these binaries is nearly ideal.

Constitutive Relationships and Models in Continuum Theories of Multiphase Flows. [conferences

NASA Technical Reports Server (NTRS)

Decker, Rand (Editor)

1989-01-01

In April, 1989, a workshop on constitutive relationships and models in continuum theories of multiphase flows was held at NASA's Marshall Space Flight Center. Topics of constitutive relationships for the partial or per phase stresses, including the concept of solid phase pressure are discussed. Models used for the exchange of mass, momentum, and energy between the phases in a multiphase flow are also discussed. The program, abstracts, and texts of the presentations from the workshop are included.

Final Project Report CFA-14-6357: A New Paradigm for Understanding Multiphase Ceramic Waste Form Performance

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

Brinkman, Kyle; Bordia, Rajendra; Reifsnider, Kenneth

This project fabricated model multiphase ceramic waste forms with processing-controlled microstructures followed by advanced characterization with synchrotron and electron microscopy-based 3D tomography to provide elemental and chemical state-specific information resulting in compositional phase maps of ceramic composites. Details of 3D microstructural features were incorporated into computer-based simulations using durability data for individual constituent phases as inputs in order to predict the performance of multiphase waste forms with varying microstructure and phase connectivity.

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

Christon, Mark A.; Bakosi, Jozsef; Francois, Marianne M.

This talk presents an overview of the multiphase flow efforts with Hydra-TH. The presentation begins with a definition of the requirements and design principles for multiphase flow relevant to CASL-centric problems. A brief survey of existing codes and their solution algorithms is presented before turning the model formulation selected for Hydra-TH. The issues of hyperbolicity and wellposedness are outlined, and a three candidate solution algorithms are discussed. The development status of Hydra-TH for multiphase flow is then presented with a brief summary and discussion of future directions for this work.

Implications of the effective one-component analysis of pair correlations in colloidal fluids with polydispersity

NASA Astrophysics Data System (ADS)

Pond, Mark J.; Errington, Jeffrey R.; Truskett, Thomas M.

2011-09-01

Partial pair-correlation functions of colloidal suspensions with continuous polydispersity can be challenging to characterize from optical microscopy or computer simulation data due to inadequate sampling. As a result, it is common to adopt an effective one-component description of the structure that ignores the differences between particle types. Unfortunately, whether this kind of simplified description preserves or averages out information important for understanding the behavior of the fluid depends on the degree of polydispersity and can be difficult to assess, especially when the corresponding multicomponent description of the pair correlations is unavailable for comparison. Here, we present a computer simulation study that examines the implications of adopting an effective one-component structural description of a polydisperse fluid. The square-well model that we investigate mimics key aspects of the experimental behavior of suspended colloids with short-range, polymer-mediated attractions. To characterize the partial pair-correlation functions and thermodynamic excess entropy of this system, we introduce a Monte Carlo sampling strategy appropriate for fluids with a large number of pseudo-components. The data from our simulations at high particle concentrations, as well as exact theoretical results for dilute systems, show how qualitatively different trends between structural order and particle attractions emerge from the multicomponent and effective one-component treatments, even with systems characterized by moderate polydispersity. We examine consequences of these differences for excess-entropy based scalings of shear viscosity, and we discuss how use of the multicomponent treatment reveals similarities between the corresponding dynamic scaling behaviors of attractive colloids and liquid water that the effective one-component analysis does not capture.

The ASCENT (Allocation System Changes for Equity in Kidney Transplantation) Study: a Randomized Effectiveness-Implementation Study to Improve Kidney Transplant Waitlisting and Reduce Racial Disparity.

PubMed

Patzer, Rachel E; Smith, Kayla; Basu, Mohua; Gander, Jennifer; Mohan, Sumit; Escoffery, Cam; Plantinga, Laura; Melanson, Taylor; Kalloo, Sean; Green, Gary; Berlin, Alex; Renville, Gary; Browne, Teri; Turgeon, Nicole; Caponi, Susan; Zhang, Rebecca; Pastan, Stephen

2017-05-01

The United Network for Organ Sharing (UNOS) implemented a new Kidney Allocation System (KAS) in December 2014 that is expected to substantially reduce racial disparities in kidney transplantation among waitlisted patients. However, not all dialysis facility clinical providers and end stage renal disease (ESRD) patients are aware of how the policy change could improve access to transplant. We describe the ASCENT (Allocation System Changes for Equity in KidNey Transplantation) study, a randomized controlled effectiveness-implementation study designed to test the effectiveness of a multicomponent intervention to improve access to the early steps of kidney transplantation among dialysis facilities across the United States. The multicomponent intervention consists of an educational webinar for dialysis medical directors, an educational video for patients and an educational video for dialysis staff, and a dialysis-facility specific transplant performance feedback report. Materials will be developed by a multidisciplinary dissemination advisory board and will undergo formative testing in dialysis facilities across the United States. This study is estimated to enroll ~600 U.S. dialysis facilities with low waitlisting in all 18 ESRD Networks. The co-primary outcomes include change in waitlisting, and waitlist disparity at 1 year; secondary outcomes include changes in facility medical director knowledge about KAS, staff training regarding KAS, patient education regarding transplant, and a medical director's intent to refer patients for transplant evaluation. The results from the ASCENT study will demonstrate the feasibility and effectiveness of a multicomponent intervention designed to increase access to the deceased-donor kidney waitlist and reduce racial disparities in waitlisting.

Multi-component hybrid hydrogels – understanding the extent of orthogonal assembly and its impact on controlled release† †Electronic supplementary information (ESI) available: Full experimental methods and further data from assays. See DOI: 10.1039/c7sc03301j Click here for additional data file.

PubMed Central

Vieira, Vânia M. P.; Hay, Laura L.

2017-01-01

This paper reports self-assembled multi-component hybrid hydrogels including a range of nanoscale systems and characterizes the extent to which each component maintains its own unique functionality, demonstrating that multi-functionality can be achieved by simply mixing carefully-chosen constituents. Specifically, the individual components are: (i) pH-activated low-molecular-weight gelator (LMWG) 1,3;2,4-dibenzylidenesorbitol-4′,4′′-dicarboxylic acid (DBS–COOH), (ii) thermally-activated polymer gelator (PG) agarose, (iii) anionic biopolymer heparin, and (iv) cationic self-assembled multivalent (SAMul) micelles capable of binding heparin. The LMWG still self-assembles in the presence of PG agarose, is slightly modified on the nanoscale by heparin, but is totally disrupted by the micelles. However, if the SAMul micelles are bound to heparin, DBS–COOH self-assembly is largely unaffected. The LMWG endows hybrid materials with pH-responsive behavior, while the PG provides mechanical robustness. The rate of heparin release can be controlled through network density and composition, with the LMWG and PG behaving differently in this regard, while the presence of the heparin binder completely inhibits heparin release through complexation. This study demonstrates that a multi-component approach can yield exquisite control over self-assembled materials. We reason that controlling orthogonality in such systems will underpin further development of controlled release systems with biomedical applications. PMID:29147525

Phase transitions in mixed gas hydrates: experimental observations versus calculated data.

PubMed

Schicks, Judith M; Naumann, Rudolf; Erzinger, Jörg; Hester, Keith C; Koh, Carolyn A; Sloan, E Dendy

2006-06-15

This paper presents the phase behavior of multicomponent gas hydrate systems formed from primarily methane with small amounts of ethane and propane. Experimental conditions were typically in a pressure range between 1 and 6 MPa, and the temperature range was between 260 and 290 K. These multicomponent systems have been investigated using a variety of techniques including microscopic observations, Raman spectroscopy, and X-ray diffraction. These techniques, used in combination, allowed for measurement of the hydrate structure and composition, while observing the morphology of the hydrate crystals measured. The hydrate formed immediately below the three-phase line (V-L --> V-L-H) and contained crystals that were both light and dark in appearance. The light crystals, which visually were a single solid phase, showed a spectroscopic indication for the presence of occluded free gas in the hydrate. In contrast, the dark crystals were measured to be structure II (sII) without the presence of these occluded phases. Along with hydrate measurements near the decomposition line, an unexpected transformation process was visually observed at P-T-conditions in the stability field of the hydrates. Larger crystallites transformed into a foamy solid upon cooling over this transition line (between 5 and 10 K below the decomposition temperature). Below the transition line, a mixture of sI and sII was detected. This is the first time that these multicomponent systems have been investigated at these pressure and temperature conditions using both visual and spectroscopic techniques. These techniques enabled us to observe and measure the unexpected transformation process showing coexistence of different gas hydrate phases.

A ballistic performance study on multiphase particulate systems impacted by various projectiles

NASA Astrophysics Data System (ADS)

Comtois-Arnaldo, Christian; Petel, Oren

2017-06-01

The present study investigates the complex multiscale dynamic response of particulate composites, in an effort to link the bulk material behavior to strain-rate activated microstructures. These investigations involve multiphase systems containing micron-sized ceramic particles integrated into a siloxane elastomer to create flexible nanocomposites with varying inclusion properties. In particular, the effects of varying particle morphology, strength, volume fraction, and density are under investigation. The experimental focus of the study concerns the ballistic penetration of the nanocomposite targets. The targets are impacted by fragment simulating steel projectiles of constant mass and varying nose shapes (i.e., flat, ogive, and chisel-nose) to identify variations in the penetration mechanics. The projectiles are accelerated in a single-stage gas gun to velocities ranging from 200 m/s to 900 m/s prior to impact. The results for each projectile type are compared to analytical penetration models in order to shed light on the dominant penetration mechanisms and their relationship to the microstructure of the nanocomposites.

Thermodynamic analysis on heavy metals partitioning impacted by moisture during the MSW incineration

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

Zhang Yanguo; Li Qinghai; Jia Jinyan

2012-12-15

Highlights: Black-Right-Pointing-Pointer Partitioning of HMs affected by moisture was investigated by thermodynamic analysis. Black-Right-Pointing-Pointer Increase in moisture and in temperature was opposite impact on HMs contribution. Black-Right-Pointing-Pointer The extent of temperature decreased by increase in moisture determines the impact. - Abstract: A thermodynamic calculation was carried out to predict the behavior and speciation of heavy metals (HMs), Pb, Zn, Cu, and Cd, during municipal solid waste (MSW) incineration with the different moisture levels. The calculation was based on the minimization of the total Gibbs free energy of the multi-components and multi-phases closed system reaching chemical equilibrium. The calculation also indicatedmore » the reaction directions and tendencies of HMs components. The impacts of chlorine additives (No PVC, 1%PVC, and 5%PVC) and moisture on the behavior of HMs were investigated at different temperature levels in the system (750 Degree-Sign C, 950 Degree-Sign C, and 1150 Degree-Sign C). Furthermore, because the incineration temperature falls down with the increase in moisture in waste, the co-influence of moisture and temperature in combusting MSW on the HMs was also studied with the given chlorine (as 1%PVC + 0.5%NaCl). The results showed that in the non-chlorine system, the impact of the moisture on Pb, Zn, and Cu was not significant, and the ratio of compound transformation was less than 10%, except the Cd compounds at 950 Degree-Sign C and 1150 Degree-Sign C. In the system with low chlorine (as 1%PVC) at constant temperature, the chlorides of HMs (Cd, Pb, Zn, and Cu) transferred to oxides, and when the content of chlorine rose up (as 5%PVC), the ratio of the chlorides of HMs (Cd, Pb, Zn, and Cu) transferring to oxides fell down noticeably. When the moisture varied together with the temperature, the Zn and Cu compounds transferred from chlorides to oxides with increase in moisture as well as decrease in temperature. At the temperature of 700-1000 Degree-Sign C, the impact of temperature on Pb and Cd was little and the moisture was the main factor; while at the temperature of 1000-1200 Degree-Sign C, the impact of increase in moisture and decrease in temperature on Pb and Cd was almost equal and reversed.« less

A mass-conserving multiphase lattice Boltzmann model for simulation of multiphase flows

NASA Astrophysics Data System (ADS)

Niu, Xiao-Dong; Li, You; Ma, Yi-Ren; Chen, Mu-Feng; Li, Xiang; Li, Qiao-Zhong

2018-01-01

In this study, a mass-conserving multiphase lattice Boltzmann (LB) model is proposed for simulating the multiphase flows. The proposed model developed in the present study is to improve the model of Shao et al. ["Free-energy-based lattice Boltzmann model for simulation of multiphase flows with density contrast," Phys. Rev. E 89, 033309 (2014)] by introducing a mass correction term in the lattice Boltzmann model for the interface. The model of Shao et al. [(the improved Zheng-Shu-Chew (Z-S-C model)] correctly considers the effect of the local density variation in momentum equation and has an obvious improvement over the Zheng-Shu-Chew (Z-S-C) model ["A lattice Boltzmann model for multiphase flows with large density ratio," J. Comput. Phys. 218(1), 353-371 (2006)] in terms of solution accuracy. However, due to the physical diffusion and numerical dissipation, the total mass of each fluid phase cannot be conserved correctly. To solve this problem, a mass correction term, which is similar to the one proposed by Wang et al. ["A mass-conserved diffuse interface method and its application for incompressible multiphase flows with large density ratio," J. Comput. Phys. 290, 336-351 (2015)], is introduced into the lattice Boltzmann equation for the interface to compensate the mass losses or offset the mass increase. Meanwhile, to implement the wetting boundary condition and the contact angle, a geometric formulation and a local force are incorporated into the present mass-conserving LB model. The proposed model is validated by verifying the Laplace law, simulating both one and two aligned droplets splashing onto a liquid film, droplets standing on an ideal wall, droplets with different wettability splashing onto smooth wax, and bubbles rising under buoyancy. Numerical results show that the proposed model can correctly simulate multiphase flows. It was found that the mass is well-conserved in all cases considered by the model developed in the present study. The developed model has been found to perform better than the improved Z-S-C model in this aspect.

Application of the Double-Tangent Construction of Coexisting Phases to Any Type of Phase Equilibrium for Binary Systems Modeled with the Gamma-Phi Approach

ERIC Educational Resources Information Center

Jaubert, Jean-Noël; Privat, Romain

2014-01-01

The double-tangent construction of coexisting phases is an elegant approach to visualize all the multiphase binary systems that satisfy the equality of chemical potentials and to select the stable state. In this paper, we show how to perform the double-tangent construction of coexisting phases for binary systems modeled with the gamma-phi…

Methods, systems and apparatus for optimization of third harmonic current injection in a multi-phase machine

DOEpatents

Gallegos-Lopez, Gabriel

2012-10-02

Methods, system and apparatus are provided for increasing voltage utilization in a five-phase vector controlled machine drive system that employs third harmonic current injection to increase torque and power output by a five-phase machine. To do so, a fundamental current angle of a fundamental current vector is optimized for each particular torque-speed of operating point of the five-phase machine.

Multiphase groundwater flow near cooling plutons

USGS Publications Warehouse

Hayba, D.O.; Ingebritsen, S.E.

1997-01-01

We investigate groundwater flow near cooling plutons with a computer program that can model multiphase flow, temperatures up to 1200??C, thermal pressurization, and temperature-dependent rock properties. A series of experiments examines the effects of host-rock permeability, size and depth of pluton emplacement, single versus multiple intrusions, the influence of a caprock, and the impact of topographically driven groundwater flow. We also reproduce and evaluate some of the pioneering numerical experiments on flow around plutons. Host-rock permeability is the principal factor influencing fluid circulation and heat transfer in hydrothermal systems. The hottest and most steam-rich systems develop where permeability is of the order of 10-15 m2. Temperatures and life spans of systems decrease with increasing permeability. Conduction-dominated systems, in which permeabilities are ???10-16m2, persist longer but exhibit relatively modest increases in near-surface temperatures relative to ambient conditions. Pluton size, emplacement depth, and initial thermal conditions have less influence on hydrothermal circulation patterns but affect the extent of boiling and duration of hydrothermal systems. Topographically driven groundwater flow can significantly alter hydrothermal circulation; however, a low-permeability caprock effectively decouples the topographically and density-driven systems and stabilizes the mixing interface between them thereby defining a likely ore-forming environment.

Trace Uranium Partitioning in a Multiphase Nano-FeOOH System.

PubMed

McBriarty, Martin E; Soltis, Jennifer A; Kerisit, Sebastien; Qafoku, Odeta; Bowden, Mark E; Bylaska, Eric J; De Yoreo, James J; Ilton, Eugene S

2017-05-02

The characterization of trace elements in minerals using extended X-ray absorption fine structure (EXAFS) spectroscopy constitutes a first step toward understanding how impurities and contaminants interact with the host phase and the environment. However, limitations to EXAFS interpretation complicate the analysis of trace concentrations of impurities that are distributed across multiple phases in a heterogeneous system. Ab initio molecular dynamics (AIMD)-informed EXAFS analysis was employed to investigate the immobilization of trace uranium associated with nanophase iron (oxyhydr)oxides, a model system for the geochemical sequestration of radiotoxic actinides. The reductive transformation of ferrihydrite [Fe(OH) 3 ] to nanoparticulate iron oxyhydroxide minerals in the presence of uranyl (UO 2 ) 2+ (aq) resulted in the preferential incorporation of U into goethite (α-FeOOH) over lepidocrocite (γ-FeOOH), even though reaction conditions favored the formation of excess lepidocrocite. This unexpected result is supported by atomically resolved transmission electron microscopy. We demonstrate how AIMD-informed EXAFS analysis lifts the strict statistical limitations and uncertainty of traditional shell-by-shell EXAFS fitting, enabling the detailed characterization of the local bonding environment, charge compensation mechanisms, and oxidation states of polyvalent impurities in complex multiphase mineral systems.

Trace Uranium Partitioning in a Multiphase Nano-FeOOH System

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

McBriarty, Martin E.; Soltis, Jennifer A.; Kerisit, Sebastien

The characterization of trace elements in minerals using extended X-ray absorption fine structure (EXAFS) spectroscopy constitutes a first step toward understanding how impurities and contaminants interact with the host phase and the environment. However, limitations to EXAFS interpretation complicate the analysis of trace concentrations of impurities that are distributed across multiple phases in a heterogeneous system. Ab initio molecular dynamics (AIMD)-informed EXAFS analysis was employed to investigate the immobilization of trace uranium associated with nanophase iron (oxyhydr)oxides, a model system for the geochemical sequestration of radiotoxic actinides. The reductive transformation of ferrihydrite [Fe(OH)3] to nanoparticulate iron oxyhydroxide minerals in themore » presence of uranyl (UO 2) 2+(aq) resulted in the preferential incorporation of U into goethite (α-FeOOH) over lepidocrocite (γ-FeOOH), even though reaction conditions favored the formation of excess lepidocrocite. This unexpected result is supported by atomically resolved transmission electron microscopy. We demonstrate how AIMD-informed EXAFS analysis lifts the strict statistical limitations and uncertainty of traditional shell-by-shell EXAFS fitting, enabling the detailed characterization of the local bonding environment, charge compensation mechanisms, and oxidation states of polyvalent impurities in complex multiphase mineral systems.« less

Network motifs – recurring circuitry components in biological systems

EPA Science Inventory

Environmental perturbations, elicited by chemicals, dietary supplements, and drugs, can alter the dynamics of the molecular circuits and networks operating in cells, leading to multiple disease endpoints. Multi-component signal transduction pathways and gene regulatory circuits u...