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Simulated fluids

Flow-sheet simulations Fluid dynamics Graphics... [Pg.61]

R. L. Rowley, M. Henrichsen. Calculation of chemical potential for structured molecules using osmotic molecular dynamics simulations. Fluid Phase Equil 137 15, 1997. [Pg.797]

We begin our discussion of LG computers by considering some of the generic advantages and disadvantages of using LGs to simulate fluid dynamics. Later on ill this section we will provide a brief overview of some of the more popular LG computers that are now in use. [Pg.503]

A. Z. Zinchenko, R. H. Davis 2002, (Shear flow of highly concentrated emulsions of deformable drops by numerical simulations),/. Fluid Mech. 455, 21. [Pg.453]

Kofke, D.A., Cummings, P.T., Precision and accuracy of staged free-energy perturbation methods for computing the chemical potential by molecular simulation, Fluid Phase... [Pg.246]

Boris, J.P., F. F. Grinstein, E. S. Oran, and R. L. Kolbe. 1992. New insights into large eddy simulation. Fluid Dynamics Research 10 199-228. [Pg.126]

Simulated intestinal fluid is associated more with dissolution rate determination than solubility measurements. Sometimes when a compound has particularly low solubility the dissolution is studied in simulated fluids. The intent is to try and produce an increased dissolution rate. If there is an increased rate it would be due to an interaction between the compound and the dissolution fluid. Sometimes this... [Pg.89]

J. Vorholz et al., Vapor + liquid equilibrium of water, carbon dioxide, and the binary system, water + carbon dioxide, from molecular simulation. Fluid Phase Equilib. 170, 203 (2000)... [Pg.357]

The mechanical force most relevant to platelet-mediated thrombosis is shear stress. The normal time-averaged levels of venous and arterial shear stresses range between 1-5 dyn/cm2 and 6 10 dyn/cm2, respectively. However, fluid shear stress may reach levels well over 200 dyn/cm2 in small arteries and arterioles partially obstructed by atherosclerosis or vascular spasm. The cone-and-plate viscometer and parallel-plate flow chamber are two of the most common devices used to simulate fluid mechanical shearing stress conditions in blood vessels. [Pg.275]

Pratt, L. R. and Haan, S. W., Effects of periodic boundary-conditions on equilibrium properties of computer-simulated fluids. 1. Theory. J. Chem. Phys. 74, 1864-1872 (1981fl). [Pg.224]

Figure 1.6 Simulated fluid solution EPR spectrum of the radical cation of anthracene, v = 9.5 GHz, llnewldth = 0.15 G, 0, = 4.89G, fl2 = 1-81 G. Figure 1.6 Simulated fluid solution EPR spectrum of the radical cation of anthracene, v = 9.5 GHz, llnewldth = 0.15 G, 0, = 4.89G, fl2 = 1-81 G.
A similar approach can be used to simulate fluid-fluid flows such as gas-liquid or liquid-liquid. However, in such flows the dispersed phase particles can coalesce or break up during the flow, and the particle size distribution evolves as the flow develops. Therefore, to define multiple phases with specific ranges of particle diameters... [Pg.111]

Macroscopic phenomena are described by systems of integro-partial differential algebraic equations (IPDAEs) that are simulated by continuum methods such as finite difference, finite volume and finite element methods ([65] and references dted therein [66, 67]). The commonality of these methods is their use of a mesh or grid over the spatial dimensions [68-71]. Such methods form the basis of many common software packages such as Fluent for simulating fluid dynamics and ABAQUS for simulating solid mechanics problems. [Pg.300]

Table 10.2. phreeqc input for a reactive transport model to simulate fluid pH buffering at the Bear Creek site. This is a better alternative to the titration model in described Chapter 8. [Pg.214]

Fig. 3. Variation with temperature of the diffusion coefficients for various simulated fluids and actual laboratory fluids. Sources of data are, from left to right LJ argon, simulated Refs. 7 (DC) and 12 (C) laboratory. Ref. 41 bard spheres (for which temperature axis corresponds to pV/NkT X.50), Ref. 82 soft spheres. Ref. 20 xenon. Ref. 41 toluene. Ref. 42 methyl cyclohexane. Ref. 43 carbon tetrachloride. Ref. 44 o-terphenyl. Ref. 45 molten KQ, simulated using Tosi-Fumi (TF) potential parameters. Ref. S repellent Gaussian core particles. Ref. 21 (F. H. Stillinger kindly deduced the values his simulation results would infer for argonlike particles in familiar units) Na ions diffusing in molten 6KN03-4Ca(N0j)2 solvent medium. Ref. 46. The dashed extension of lower temperature in the case of xenon is based on the Arrhenius parameters quoted for the data. ... Fig. 3. Variation with temperature of the diffusion coefficients for various simulated fluids and actual laboratory fluids. Sources of data are, from left to right LJ argon, simulated Refs. 7 (DC) and 12 (C) laboratory. Ref. 41 bard spheres (for which temperature axis corresponds to pV/NkT X.50), Ref. 82 soft spheres. Ref. 20 xenon. Ref. 41 toluene. Ref. 42 methyl cyclohexane. Ref. 43 carbon tetrachloride. Ref. 44 o-terphenyl. Ref. 45 molten KQ, simulated using Tosi-Fumi (TF) potential parameters. Ref. S repellent Gaussian core particles. Ref. 21 (F. H. Stillinger kindly deduced the values his simulation results would infer for argonlike particles in familiar units) Na ions diffusing in molten 6KN03-4Ca(N0j)2 solvent medium. Ref. 46. The dashed extension of lower temperature in the case of xenon is based on the Arrhenius parameters quoted for the data. ...
Kofke, D.A. Free energy methods in molecular simulation. Fluid Phase Equilibria 2005, 228-229, 41-8. [Pg.54]


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Bioceramic simulated body fluids

Biomimetic simulated body fluid

Biomimetics simulated body fluids

Bubbling Bed Reactor Simulations Using Two-Fluid Models

Carlo Simulations for Complex Fluids

Complex fluids, Monte Carlo simulations for

Complex fluids, molecular simulation

Computational fluid dynamics simulation

Computer simulations adsorbed fluids

Computer simulations fluid property calculations

Computer simulations, solid-fluid equilibrium

Direct numerical simulations particle-fluid interactions

Fasted state simulated intestinal fluid

Fasted state simulated intestinal fluid FaSSIF)

Fed state simulated intestinal fluid

Fed-state simulating intestinal fluid (FeSSIF

Fluid catalytic cracker simulator

Fluid density, molecular dynamics simulations

Fluid dynamics simulation

Fluid dynamics simulation assumptions

Fluid dynamics simulation selectivity

Fluid molecular dynamics simulations

Fluids dense, molecular simulations

Fluids simulations

Fluids simulations

Large Eddy Simulation computational fluid dynamics model

Lennard-Jones fluid adsorption simulation

Lennard-Jones fluid models simulations

Mixing fluid dynamics simulation

Mixing laboratory simulant fluids

Molecular dynamics simulation of simple fluids

Molecular dynamics simulations ionic fluids

Monte Carlo simulation associating fluids

Monte Carlo simulations complex fluids

Monte Carlo simulations fluid models

Monte Carlo simulations solid-fluid equilibrium

Simulated Body Fluids and Coatings

Simulated biological fluid, solubility

Simulated body fluid

Simulated body fluid immersion

Simulated body fluid solution

Simulated gastric fluid

Simulated intestinal fluid

Simulated supercritical fluid

Simulating Bubbling Bed Combustors Using Two-Fluid Models

Simulation fluid flow behaviour

Simulations 6-12 Lennard-Jones fluid

Solubility in Simulated Biological Fluids

Supercritical fluid simulated moving bed

Supercritical fluids simulations

Two-Fluid Simulation of Gas Fluidized Beds

USP-simulated gastric fluid

Vaginal fluid simulant

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