Phase Transitions and Criticality in Small Nanoscale Systems
Alexander V. Neimark and A. Vishnyakov, TRI/Princeton, 601 Prospect Avenue, Princeton, NJ 08540 |
Finite-Size Scaling Monte Carlo Simulations of Tricritical Behavior
Gerassimos Orkoulas, University of California, Los Angeles, Departmet of Chemical Engineering, 5531 Boelter Hall, Los Angeles, CA 90095-1590 |
Thermodynamics of Symmetric Dimers: Lattice Dft Predictions and Simulations
Yiming Chen1, G.L. Aranovich2 and M.D. Donohue2, (1)Chemical and Biomolecular Engineering, Johns Hopkins University, 3400 N Charles Street, Baltimore, MD 21218, (2)ChemBE, Johns Hopkins University, 3400 N Charles Street, Baltimore, MD 21218 |
Development and Application of Mayer Sampling Methods for the Evaluation of Cluster Integrals
Andrew J. Schultz, Chemical and Biological Engineering, The State University of New York-Buffalo, 514 Furnas Hall, Buffalo, NY 14260-4200 and David A. Kofke, State University of New York-Buffalo, 303 Furnas Hall, Buffalo, NY 14260-4200 |
Studying Thermophysical Properties with Molecular Dynamics
Jared T. Fern, Physical Properties Research Facility, The University of Tennessee, 327 Dougherty Engineering Bldg., 1512 Middle Drive, University of Tennessee, Knoxville, Knoxville, TN 37831-6273, David J. Keffer, The University of Tennessee, 617 Dougherty Hall Dougherty Hall, Knoxville, TN 37996-2200 and William V. Steele, Nuclear Science and Technology, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6273 |
Determination of Interfacial Tension in Binary Mixtures Using Transition-Matrix Monte Carlo
Vincent K. Shen, NIST, Physical and Chemical Properties Division, 100 Bureau Dr., MS 8380, Gaithersburg, MD 20899-8380 and Jeffrey R. Errington, University at Buffalo, Dept. of Chemical and Biological Engineering, 509 Furnas Hall, Buffalo, NY 14260, United States |
Modeling Co2 Solubility in Ionic Liquids Using Semi-Grand Ensemble Hybrid Monte Carlo
Haizhong Zhang and Edward J. Maginn, Department of Chemical and Biomolecular Engineering, University of Notre Dame, Notre Dame, IN 46556 |
Force Field Parameterization and Calculation of Phase Equilibria for Organic Nitro Compounds
David Rigby, Accelrys, 9685 Scranton Road, San Diego, CA 92129 and Rajesh Khare, Department of Chemical and Biological Engineering, University of Wisconsin-Madison, Madison, WI 53706 |