Tracing the Critical Locus for Binary Fluid Mixtures Using Molecular Simulations
Philip J. Lenart, Princeton University, A217 Engineering Quad., Princeton, NJ 08544 and Athanassios Z. Panagiotopoulos, Princeton University, A223 Engineering Quad., Princeton, NJ 08544 |
Cluster Integral Calculations Via Mayer-Sampling Molecular Simulation: Higher-Order Virial Coefficients, Thermodynamic Properties, and Molecular Clustering
Jayant K. Singh, General Motors India Science Laboratory, Bangalore, India, Kenneth M. Benjamin, Department of Chemical and Biological Engineering, State University of New York at Buffalo, Buffalo, NY 14260-4200 and David A. Kofke, State University of New York-Buffalo, 303 Furnas Hall, Buffalo, NY 14260-4200 |
Computing Vapor-Liquid Coexistence Curves for Metals
Marcus Martin, Multiscale Computational Materials Methods, Sandia National Laboratories, PO Box 5800 Mail Stop 1110, Albuquerque, NM 87185-1110 |
Phase Behavior of Elemental Aluminum Using Monte Carlo Simulations
Divesh Bhatt, Department of Chemistry, University of Minnesota, P190 Kolthoff Hall, Minneapolis, MN 55455 and J. Ilja Siepmann, University of Minnesota, Department of Chemistry, Minneapolis, MN 55455-0431 |
Free Energy of the Solid C60 Orientational Order-Disorder Transition
Jaeeon Chang, Chemical engineering, University of Delaware, 150 Academy St, Newark, DE 19716 and Stanley I. Sandler, Chemical Engineering, University of Delaware, 121 Colburn Lab, 150 academy street, Newark, DE 19716 |
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Experimental Determination and Predicted Solubilities of Thiophene + N-Nonane, or + N-Decane in Dense and Supercritical CO2
Octavio Elizalde-Solis, Lab. de Termodinamica-ESIQIE, INSTITUTO POLITECNICO NACIONAL-ESIQIE, Lab. Termodinamica, UPALM, Edif. Z, 1er Piso, Sec. 6, Mexico, 07738, Mexico and Luis A. Galicia-Luna, INSTITUTO POLITECNICO NACIONAL-ESIQIE, Lab. Termodinamica, UPALM, Edif. Z, 1er Piso, Sec. 6, Mexico, 07738, Mexico |
High-Accuracy Density Measurements for a Natural Gas Mixture
Kenneth R. Hall1, Mert Atilhan2, Prashant Patil2 and Saquib Ejaz2, (1)Texas A&M University, MS 3122, College Station, TX 77843-3122, (2)ChE, Texas A&M University, MS 3122, College Station, TX 77843-3122 |
Computing Solid-Fluid Coexistence for Molecular Systems Using a Pseudo-Supercritical Path Sampling Method
David M. Eike and Edward J. Maginn, Chemical and Biomolecular Engineering, University of Notre Dame, 182 Fitzpatrick Hall, Notre Dame, IN 46556 |
Crossover Hr-Saft Equation of State for Fluid Mixtures: Application to Binary Mixtures of Carbon Dioxide, Water, and Methanol
Sergei B. Kiselev1, James F. Ely1, Sugata P. Tan2, Hertanto Adidharma2 and Maciej Radosz2, (1)Chemical Engineering Department, Colorado School of Mines, 1500 Illinos St., Golden, CO 80401-1887, (2)Department of Chemical and Petroleum Engineering, University of Wyoming, Laramie, WY 82071 |