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Models for predicting solubilities of 2,4,6-trinitrotoluene (TNT) and 1,3,5-trinitro-1,3,5-s-triazine (RDX) in supercritical CO2: isothermal-isobaric Monte Carlo simulations Agrawal PA, Rice BA, Sorescu DC, Thompson DL Fluid Phase Equilibria, 187-188, 139, 2001 |
2 |
Heat capacities of two-centre Lennard-Jones fluids from NpT ensemble Monte Carlo simulations Kronome G, Kristof T, Liszi J, Szalai I Fluid Phase Equilibria, 155(2), 157, 1999 |
3 |
Molecular dynamics simulation of the liquid-vapor interface: Binary mixtures of Lennard-Jones fluids Mecke M, Winkelmann J, Fischer J Journal of Chemical Physics, 110(2), 1188, 1999 |
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Vapor-Liquid-Equilibria of the Ternary Mixture Ch4+c2H6+co2 from Molecular Simulation Vrabec J, Fischer J AIChE Journal, 43(1), 212, 1997 |
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Calculation of Vapour/Liquid Phase-Equilibria by Molecular Simulation Vrabec J, Fischer J Chemie Ingenieur Technik, 69(8), 1126, 1997 |
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Total and Excess Properties of Nonideal Ternary Fluid Mixtures via Isothermal-Isobaric Molecular-Dynamics Simulation - Size and Energy Parameter Effects Shukla K Fluid Phase Equilibria, 128(1-2), 47, 1997 |
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Born-Green-Yvon results for the liquid-vapour interface of pure fluids and binary model mixtures Wendland M Fluid Phase Equilibria, 141(1-2), 25, 1997 |
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Pseudo-Ensemble Simulations and Gibbs-Duhem Integrations for Polymers Escobedo FA, Depablo JJ Journal of Chemical Physics, 106(7), 2911, 1997 |
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Current Advances in Monte-Carlo Methods Panagiotopoulos AZ Fluid Phase Equilibria, 116(1-2), 257, 1996 |
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Prediction of Liquid-Liquid Phase-Equilibria of He+h-2 Mixtures by NPT Molecular-Dynamics Simulations Liu AP, Beck TL Journal of Chemical Physics, 105(6), 2424, 1996 |