2010 Annual Meeting

Session: Poster Session: Thermodynamics and Transport Properties

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

Jeffery J. Potoff, Wayne State University

Presentations

06:00 PM

(191t) Wong-Sandler Mixing Rules: Their Versatility Beyond Phase Equilibrium Calculations
Ricardo Macías-Salinas
(191u) Transport and Thermodynamic Properties of Sp-Bonded Liquid Metals: Molecular Dynamics Simulations and Hard Sphere Perturbation Theories
R. Ravi, B Hemanth Kumar
(191v) Partitioning of Synthetic Antibiotics in Ionic-Liquid-Based Aqueous Biphasic Systems
João M. M. Araújo, Isabel M. Marrucho, Luís P. N. Rebelo, Joao A.P. Coutinho, Mara G. Freire
(191w) Spreading On Nano Blend Perfluoropolyether Films Over Carbon-Overcoated Disks Via Molecular Dynamics
Pil Seung Chung, Robert L. Smith, Myung S. Jhon
(191x) Implementation of Acid and Base Site-Site Interaction to Characterize Vapor Liquid Equilibrium Behavior of Aliphatic Nitrates
Ehsan Moharreri, Richard Elliott, Phil Stuhldreher
(191y) Cellulose Nanocrystals Liquid Crystalline Suspensions: Rheology and Phase Behavior
Esteban E. Ureña-Benavides, Christopher L. Kitchens, Virginia A. Davis, Ao Geyou
(191z) Quantitative Structure-Property Relationship Model for Prediction of Octanol-Water Partition Coefficient
B. J. Neely, K. A. M. Gasem, K. M. Yerramsetty
(191aa) Theory-Based Quantitative Structure-Property Relationship Models for Phase Behavior Predictions
B. J. Neely, K. M. Yerramsetty, K. A. M. Gasem
(191ab) Theory-Based Quantitative Structure-Property Relationship Models for Standard Heat of Formation Predictions
B. J. Neely, K. A. M. Gasem, K. M. Yerramsetty, M. Bagheri
(191ac) Aggregation of Hexanol Isomers and of 2-Alkoxyethan-1-Ol Compounds in n-Hexane
John M. Stubbs, Joern Siepmann
(191ad) Faster Computation of Virial Coefficients Via Mayer-Sampling Monte Carlo, Integral-Equation Theories, and Graphics Processing Units
Katherine R. S. Shaul, Srihari G. Sankararaman, Andrew Schultz, David Kofke
(191ae) Equation of State for Brine Systems with CO2
Zhidong Li, Abbas Firoozabadi
(191aj) Improving Gas Condensate Reservoir Productivity
Adel Elsharkawy
(191c) Evaluation of the Modified Margules Model for Calculation of Activity Coefficient for Acetylsalicylic Acid Solutions in Some Organics Solvents
Gustavo D. Maia, Marco Giulietti
(191ah) Pressure-Temperature Phase Diagrams for Clathrate Hydrates of Hydrogen + Tetrahydrofuran
Amir H. Mohammadi, Dominique Richon
(191ai) PRESSURE – TEMPERATURE PHASE DIAGRAMS of CLATHRATE HYDRATES of HFC-134a, HFC-152a and HFC-32
Amir H. Mohammadi, Dominique Richon
(191a) Evaluation of a Targeted-QSPR Based Pure Compound Property Prediction System
Mordechai Shacham, Inga Paster, Greta Tovarovski, Richard L. Rowley, Neima Brauner
(191d) Rational Peptide Design Using Molecular Dynamics for Applications as Emulsifier
Andres Fernando Gonzalez Barrios, Oscar Alvarez, Melissa Alvarez
(191e) Predicting the Phase Equilibria of Synthetic Petroleum Fluids with the PPR78 Approach
Jean-Noel Jaubert, Romain Privat
(191ag) Nonequilibrium MODELING of AN Ammonia-Water Rectifyng Column Via Fundamental Thermodynamic and TRANSPORT Relations
Chidi Okonkwo
(191f) Relationship Between the Binary Interaction Parameters (kij) of the Peng-Robinson and Those of the Soave-Redlich-Kwong Equations of State. Application to the Definition of the PR2SRK Model
Jean-Noel Jaubert, Romain Privat
(191g) Tar Removal From Biosyngas in the Biomass Gasification Process Using Methylpalmitate (biodiesel constituent). Liquid-Liquid Equilibria of Water + Extraction Solvent (methyl palmitate) + Model Molecules of Tar (naphthalene, anthracene, phenanthrene...)
Georgio Bassil, Ilham Mokbel, Jacques Jose, Naim Ouaini, Olivier Guerrini, Maïlys Pale, Christelle Goutaudier, Joseph Saab
(191h) Simulation of the Release of Non-Condensable Gases in Seawater Evaporation
Petteri Kangas, Sakari Kaijaluoto, Pertti Koukkari
(191i) Thermal Decomposition Mechanisms of MgCl2•6H2 O and MgCl2•H2 O
Qiongzhu Huang, Guimin Lu, Jin Wang, Jianguo Yu
(191b) A General Treatment of Polar-Polarizable Systems for An Equation of State
Nayef M. Al-Saifi, Peter Englezos, G. N. Patey
(191j) Position Group Contribution Method for the Prediction of the Acentric Factor of Organic Compounds
Qiang Wang, Qingzhu Jia, Peisheng Ma, jing Biao Chu
(191k) Tensile and Flexural Properties in Carbon-Filled Polypropylene-Based Resins
Daniel Lopez Gaxiola, Mary Jubinski, Jason M. Keith, Julia A. King, Ibrahim Miskioglu
(191l) Molecular Modeling of Complex Fluids
Christopher Emborsky, Kenneth R. Cox, Walter G. Chapman
(191m) Compressed Liquid Densities for the n-Heptane + n-Decane System in the Temperature Range of 313 - 363 K
Rodolfo Quevedo-Nolasco, Octavio Elizalde-Solis, Luis A. Galicia-Luna
(191n) Experimental Vapor-Liquid Equilibria for the Quaternary System (carbon dioxide + ethanol + n-hexane + thiophene) at 313 and 363 K
Rubén P. Mendo-Sánchez, Karla E. Vázquez-Hernández, Octavio Elizalde-Solis, Luis A. Galicia-Luna
(191o) A New Modeling Approach for CO2- Water Mixed Gas Adsorption On Coals
K. A. M. Gasem, Sayeed A. Mohammad, Jing Chen, Robert L. Robinson
(191p) Revision and Extension of the COSMO-SAC Model
Chieh-Ming Hsieh, Stanley I. Sandler, Shiang-Tai Lin
(191q) Ice - Clathrate Hydrate - Gas Phase Equilibria for Argon + Water and Carbon Dioxide + Water Systems
Amir H. Mohammadi, Dominique Richon
(191r) Density Measurements of Qatari Natural Gas Mixtures Via Magnetic Suspension Densimeter
Mert Atilhan, Santiago Aparicio, Kenneth R. Hall
(191s) Viscosity Characterization of Qatari Type Natural Gas Mixtures
Mert Atilhan, Santiago Aparicio, Kenneth R. Hall