2013 AIChE Annual Meeting

Session: Thermophysical Properties and Phase Behavior II

Experimental and theoretical contributions to the general field of thermodynamic properties and phase behavior are encouraged, including those that introduce novel experimental or modeling techniques. The topic and style of the presentations should be consistent with the broader audience of this session.

Chair

Escobedo, F., Cornell University

Co-Chair

Turner, H., University of Alabama

Presentations

12:30 PM

(148a) Adapting SAFT-? Perturbation Theory to Site-Based Molecular Dynamics Simulation: An Application to Homogeneous and Inhomogeneous Systems
Ghobadi, A. F., Elliott, J. R. Jr.

12:50 PM

(148b) Net Adsorption Thermodynamic Framework for Microporous Solids
Talu, D. O.

01:10 PM

(148c) Prediction of Multiphase Equilibrium of Water-Alcohol-Hydrocarbons Using Theory-Based Equation of State
Al-Rehaili, A. M., Al-Hamdan, A. M. M., Englezos, P., Alsaifi, N.

01:30 PM

(148d) Description of Thermophysical Properties of Multi-Component Mixtures Employing Virial Based Mixing Rules (VBMR)
Baghdasarian, S., Sen, S.

01:50 PM

(148e) Force-Field Based Quasi-Chemical Method for Rapid Evaluation of Binary Phase Diagrams
Sweere, T. J. M., Fraaije, J. G. E. M.

02:10 PM

(148f) Generalized Activity Coefficient Models for VLE Mixture Predictions
Gebreyohannes, S. B., Dadmohammadi, Y., Venugopal, V., Yerramsetty, K. M., Neely, B. J., Gasem, K. A. M.

02:30 PM

(148g) Calculation of the Vapor-Liquid Phase Coexistence of Polymer-Grafted Nanoparticles
Mukherjee, S., Haley, J. D., Iacovella, C. R., McCabe, C., Cummings, P.

02:50 PM

(148h) Hard-Disk Equation of State: First-Order Liquid-Hexatic Transition in Two Dimensions With Three Simulation Methods
Engel, M., Anderson, J. A., Glotzer, S. C., Isobe, M., Bernard, E. P., Krauth, W.