Tuesday, November 6, 2007: 6:30 PM-8:30 PM
Exhibit Hall B (Salt Palace Convention Center)

Thermodynamics and Transport Properties (01a)

#335 - Thermodynamics and Transport Properties Posters (01A11)
Area 1a Poster Session. Contributions in all areas of thermodynamics and transport properties are welcome. Posters can include equations of state, simulations, experiments, and/or theories. Many posters will likely discuss thermodynamics and phase behavior, since slots in those sessions are limited compared to the high demand.
Chair:Martha C . Mitchell
CoChair:David M. Ford
Part 1 
A Critical Comparison of Nrhb with Saft and Simplified Pc-Saft
Ioannis Tsivintzelis, Andreas Grenner, Ioannis Economou, Georgios M. Kontogeorgis, Costas Panayiotou
Molecular Modeling of High-Energy Materials
Nandhini Sokkalingam, MaryBeth Helen Ketko, Jeffrey J. Potoff
Effects Of Attractive Forces On The Diffusivity Based On The Speadmd Model
J. Richard Elliott, Zeynep N. Gerek, Neil H. Gray
Transferable Step Potentials For Nitrates, Phosphates, And Acids
J. Richard Elliott, Amir Vahid
Lennard-Jones Repulsive Potential And Phase Equilibrium Of Organic Molecules
Damien Bernard-Brunel, Jeffrey Potoff
Evaluation Of Aqueous Partial Molar Volumes From Molecular Simulations
Ashish V. Sangwai, Hank Ashbaugh
Molecular Simulation of First Order Perturbation Theory for the Long Range Triangular-Well Potential
Felix F. Betancourt-Cárdenas, Luis A. Galicia-Luna, Stanley Sandler
Perturbation Theory for the Long Range Square Well Potential
Felix F. Betancourt-Cárdenas, Luis A. Galicia-Luna, Stanley Sandler
Development of All-Atom Force Field for Perfluorosulfonic Acid Ionomer Using Ab Initio Calculations
Xiaobo Ji, Liuming Yan, Wencong Lu
Consideration Of The Entropy In The Prediction Of Stable Crystalline Polymorphs
Tai Boon Tan, Nancy Cribbin, Andrew Schultz, David A. Kofke
A Computational Study Of The Phase Diagram Of Metals
Caroline Desgranges, Jerome Delhommelle
V.L.E. Of Ethanol And Ethanediol From Molecular Dynamics Simulations And Voronoi Tessellations
Jared T. Fern, David J. Keffer, William V. Steele
Part 2 
Prediction of Temperature-Dependent Properties by Correlations Based on Similarity of Molecular Structures
Haim Shore, Diamanta Benson-Karhi, Neima Brauner, Mordechai Shacham
Multiflash: A Cape Open 1.1 Thermodynamics Package With Multiphase Capabilities
Beryl Edmonds, Tony Moorwood, Richard Szczepanski, Xiaohong Zhang
Improved Property Prediction through Refinement of Contribution Factors
Tariq A. Khan, David Bluck
The Development of a Group Contribution Approach with a Heteronuclear Version of the Statistical Associating Fluid Theory Saft-Gamma
Alexandros Lymperiadis, Claire S. Adjiman, George Jackson, Amparo Galindo
Developing a Group Contribution Based Saft-Vr Equation of State
Yun Peng, Kimberly Goff, M. Carolina Dos Ramos, Clare McCabe
Part 3 
Utilization of Quantum Mechanically Determined Molecular Properties in Predictive Equations of State
Kai Leonhard, Mahendra Sing, Van Nhu Nguyen, Klaus Lucas
Prediction of Asphaltene Precipitation from Crude Oil Using Tuned Eos by Empirical Model
Bader H. Al-Busairi, Sami H. Ali, Mohamed A. Fahim
Equation of State Correlation of Vapor-Liquid-Liquid Equilibria
Sabyasachi Sen
Part 4 
Thermodynamic Model for Solvent Deasphalting of Vacuum Residue
Martha J. Parra, Wilson A. Cañas-Marin
An Eyring-Theory-Based Model to Predict Crude Oil Viscosity at Reservoir Conditions
Ricardo Macías-Salinas, Cecilia Durán-Valencia, Simón López-Ramírez, Christian Bouchot
Extension of a Clausius - Clapeyron Model for Predicting the Dissociation Heat of Gas Hydrates
Amir H. Mohammadi, Waheed Afzal, Dominique Richon
Configurational Probabilities for Symmetric Dimers on a Lattice: An Analytical Approximation with Exact Limits at Low and High Densities
Yiming Chen, Gregory Aranovich, Marc Donohue
Useful Remarks to Reduce Experimental Information Required to Determine Water Content of Gas in Equilibrium with Gas Hydrate, Ice or Liquid Water
Amir H. Mohammadi, Waheed Afzal, Dominique Richon
Metastable Cluster Intermediates In The Condensation Of Charged Macromolecule Solutions
Shelby B. Hutchens, Zhen-Gang Wang
Vapor-Liquid Equilibria For Binary Systems Consisting Of Hexafluoroethane (R116) With Ethane And Propane
D. Ramjugernath, Christophe Coquelet, Alain Valtz, Dominique Richon
Part 5 
Modeling And Experimentation Of Polyol+Blowing Agent Systems
Suresh Yelisetty, Donald P. Visco Jr.
Measurement and Modeling of High Pressure Vapour-Liquid Equilibrium Data for Binary Systems Consisting of Hfp and Hfpo with Toluene, CO2, R116 and R123
Shalendra Clinton Subramoney, Wayne Michael Nelson, P Naidoo, D Ramjugernath, Christophe Coquelet, Dominique Richon
Densities, Excess Molar Volumes, And Derived Thermodynamic Properties Of The System O-Cresol (1) + M-Cresol (2) At Temperatures Between 313 To 363 K And Pressures Up To 25 Mpa
Abel Zúñiga-Moreno, Luis A. Galicia-Luna, Sergio Alvarez-Badillo
Studies On Mass Transfer With A Methane Hydrate For Methane Gas Production
Keiichi Ogasawara, Akihiro Yamasaki, Fumio Kiyono
Vapor–Liquid Equilibria For The CO2 + Heptane Mixture At 314.86 K, 373.15 K, 418.11 K And Compressed Liquid Densities From 313 To 363 K Up To 25 Mpa
Mariana Medina-Bermúdez, Luis A. Saavedra-Molina, Luis A. Galicia-Luna
Compressed Liquid Densities And Excess Volumes Of Water + 1-Pentanol, 2-Pentanol And Water + 1-Pentanol + 2-Pentanol Mixtures At Five Compositions Via A Vibranting Tube Densimeter Up To 363 K And 25 Mpa
Victor H. Soto-Ruiz, Luis A. Galicia-Luna, Sergio Alvarez-Badillo, Edson Alvarez-Badillo
Hydrogen Storage Property of New Li-Al-N-H System
Jun Lu, Zhigang Fang, Hong Yong Sohn
Hydrogen Storage Properties Of The Li-Mg-N System
Brady G. Butler, Zhigang Zak Fang
Experimental and Predicted Dynamic Viscosities of Mixed Ester Lubricants
Luis Lugo, Xavier Canet, María J. P. Comuñas, Alfonso S. Pensado, Josefa Fernández
Measurements of Liquid Densities for the Binary System Carbon Dioxide 1 + M-Cresol 2 at Temperatures between 313 To 363 K and Pressures up to 25 Mpa
Luis Camacho-Camacho, Abel Zúñiga-Moreno, Luis A. Galicia-Luna
Automated Density And Speed Of Sound Measurements Of Aviation Jet Fuels Over A Wide Range Of Temperature And Pressure
Stephanie L. Outcalt, Malte Freund, Hans-Dieter Seelig, Arno Laesecke
Part 6 
Colloid Transport and Retention in Porous Media in the Presence of Energy Barrier
Marcin M. Niewiadomski, Huilian Ma, William P. Johnson
Part 7 
Coupling Between Diffusion And Orientation Relaxation In A Cromolyn Aqueous Solution
Kirt Linegar, Adedayo Adeniran, Andrei F. Kostko, Mikhail A. Anisimov
Buoyant Plumes And Hydrodynamic Mixing Caused By Solute Gradients From Metabolizing Bacteria
Michael R. Benoit, Robert B. Brown, Emily S. Nelson, Paul W. Todd, David M. Klaus
Measurement and Correlation of Solubilities of Salicylic Acid in Water and Cosolvent Systems Using Hplc
Katsumi Tochigi, Hiroyuki Matsuda, Kenta Kaburagi, Kiyofumi Kurihara, Kazuo Tomono

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