2010 Spring Meeting & 6th Global Congress on Process Safety

Session: Workshop S4: Texas Area Workshop On Thermodynamics and Statistical Mechanics (Ticketed event - Registration required)

Co-Chairs

Kenneth R. Cox, Rice University
Walter G. Chapman, Rice University

Presentations

08:30 AM

Experimental Determination of Phase Envelope Data for Synthetic Natural Gas Mixtures
Andrea del Pilar Tibaduiza, Diego E. Cristancho, Ivan D. Mantilla, Mert Atilhan, Saquib Ejaz, Kenneth R. Hall, Diego O. Ortiz-Vega

08:50 AM

Generalized Phase Boundary Determination Algorithm for Multicomponent Mixtures
Diego O. Ortiz-Vega, Diego E. Cristancho, Kenneth R. Hall

09:10 AM

Trends in the Athermal Entropy of Mixing of Polymer Solutions
JRichard Elliott, Amir Vahid, Neil H. Gray

09:30 AM

On the Asymptotic Properties of a Hard Sphere Fluid
Jang S. Lee

09:50 AM

Application of Interfacial-SAFT (iSAFT) Density Functional Theory in Multiscale Modeling of Inhomogeneous Systems
Zhengzheng Feng, Christopher Emborsky, Kenneth R. Cox, Walter G. Chapman

10:30 AM

Self-Assembly of Amphiphilic Molecules or Nanoparticles Using the i-SAFT Density Functional Theory
Christopher Emborsky, Kenneth R. Cox, Walter G. Chapman

10:50 AM

Dispersion of Polymer-Grafted Nanoparticles in Polymer Thin Films
David M. Trombly, Venkat Ganesan

11:10 AM

A Systematic Coarse-Graining Method to Predict the Properties of Polymer Nanocomposites
Youthachack Landry Khounlavong, Venkat Ganesan, Victor Pryamitsyn

11:30 AM

Atomistic Simulations of Alternative Proton Exchange Membranes for Fuel Cell Applications
Chetan V. Mahajan, Venkat Ganesan

01:10 PM

Free Energy for Separation of Cellobiose Molecule From a Layer of Cellobiose
Suma Peri, M. Nazmul Karim

01:30 PM

Local Chain Dynamics in Highly Cross-Linked Epoxy near Glass Transition
Po-Han Lin

01:50 PM

Composition and Concentration Anomalies for Structure and Dynamics of Gaussian-Core Mixtures
Mark Pond, Vincent K. Shen, Jeffrey R. Errington, Thomas Truskett

02:10 PM

Correlating Tracer Particle Diffusivity with Excess Entropy
James Carmer, Gaurav Goel, Thomas Truskett

02:30 PM

Cavity Size Distributions and Diffusions in Polyimides and TR Polymers by Molecular Simulation
Yingying Jiang