Session: Poster Session: Thermodynamics and Transport Properties (2010 Annual Meeting)

Description:

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.

Sponsor:

Thermodynamics and Transport Properties

Chair:

Jeffery J. Potoff
Wayne State University
Chemical Enginering
5050 Anthony-Wayne Dr.
Detroit, MI 48202
Phone Number: 313 577 9357
Email: jpotoff@chem1.eng.wayne.edu

Papers:

191a

Evaluation of a Targeted-QSPR Based Pure Compound Property Prediction System
Mordechai Shacham, Ben Gurion University of the Negev; Inga Paster, Ben Gurion University of the Negev; Richard L. Rowley, Brigham Young University; Greta Tovarovski, Tel-Aviv University; Neima Brauner, Tel-Aviv University

191aa

Theory-Based Quantitative Structure-Property Relationship Models for Phase Behavior Predictions
K. M. Yerramsetty, Oklahoma State University; B. J. Neely, Oklahoma State University; K. a. M. Gasem, Oklahoma State University

191ab

Theory-Based Quantitative Structure-Property Relationship Models for Standard Heat of Formation Predictions
M. Bagheri, University of Tehran; K. M. Yerramsetty, Oklahoma State University; B. J. Neely, Oklahoma State University; K. a. M. Gasem, Oklahoma State University

191ac

Aggregation of Hexanol Isomers and of 2-Alkoxyethan-1-Ol Compounds in n-Hexane
John M. Stubbs, Chemistry, University of Minneapolis; J. Ilja Siepmann, University of Minnesota

191ad

Faster Computation of Virial Coefficients Via Mayer-Sampling Monte Carlo, Integral-Equation Theories, and Graphics Processing Units
Katherine R. S. Shaul, University at Buffalo, The State University of New York; Srihari G. Sankararaman, University at Buffalo, The State University of New York; Andrew Schultz, University at Buffalo, The State University of New York; David A. Kofke, University at Buffalo, The State University of New York

191ae

Equation of State for Brine Systems with CO2
Zhidong Li, Reservoir Engineering Research Institute (RERI); Abbas Firoozabadi, Reservoir Engineering Research Institute (RERI)

191ag

Nonequilibrium MODELING of AN Ammonia-Water Rectifyng Column Via Fundamental Thermodynamic and TRANSPORT Relations
Chidi Okonkwo, Delta State Poly

191ah

Pressure-Temperature Phase Diagrams for Clathrate Hydrates of Hydrogen + Tetrahydrofuran
Amir H. Mohammadi, MINES ParisTech, CEP/TEP - Centre Énergétique et Procédés; Dominique Richon, MINES ParisTech, CEP/TEP - Centre Énergétique et Procédés

191ai

PRESSURE – TEMPERATURE PHASE DIAGRAMS of CLATHRATE HYDRATES of HFC-134a, HFC-152a and HFC-32
Amir H. Mohammadi, MINES ParisTech, CEP/TEP - Centre Énergétique et Procédés; Dominique Richon, MINES ParisTech, CEP/TEP - Centre Énergétique et Procédés

191aj

Improving Gas Condensate Reservoir Productivity
Adel Elsharkawy, Kuwait University

191b

A General Treatment of Polar-Polarizable Systems for An Equation of State
Nayef M. Al-Saifi, The university of British Columbia; G. N. Patey, The university of British Columbia; Peter Englezos, The university of British Columbia

191c

Evaluation of the Modified Margules Model for Calculation of Activity Coefficient for Acetylsalicylic Acid Solutions in Some Organics Solvents
Gustavo D. Maia Sr., Federal University of Alfenas - UNIFAL; Marco Giulietti, Federal University of Sao Carlos- UFSCar

191d

Rational Peptide Design Using Molecular Dynamics for Applications as Emulsifier
Melissa Alvarez, Grupo de Diseño de Productos y Procesos (GDPP) Universidad de los Andes; Andres Fernando Gonzalez Barrios, Universidad de los Andes; Oscar A. Alvarez, Universidad de Los Andes

191e

Predicting the Phase Equilibria of Synthetic Petroleum Fluids with the PPR78 Approach
Jean-Noel Jaubert, Nancy Université - INPL; Romain Privat, Nancy Université - INPL

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, Nancy Université - INPL; Romain Privat, Nancy Université - INPL

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, Claude Bernard University Lyon - France; Ilham Mokbel, Claude Bernard University Lyon - France; Jacques Jose, Claude Bernard University Lyon - France; Joseph Saab, Holy Spirit University Kaslik; Naim Ouaini, Holy Spirit University Kaslik; Olivier Guerrini, GDF-Suez; Maïlys Pale, GDF-Suez; Christelle Goutaudier, Universite Claude Bernard Lyon 1

191h

Simulation of the Release of Non-Condensable Gases in Seawater Evaporation
Petteri Kangas, VTT Technical Research Centre of Finland; Sakari Kaijaluoto, VTT Technical Research Centre of Finland; Pertti Koukkari, VTT Technical Research Centre of Finland

191i

Thermal Decomposition Mechanisms of MgCl₂•6H₂ O and MgCl₂•H₂ O
Qiongzhu Huang, East China University of Science and Technology; Guimin Lu, East China University of Science and Technology; Jin Wang, East China University of Science and Technology; Jianguo Yu, East China University of Science and Technology

191j

Position Group Contribution Method for the Prediction of the Acentric Factor of Organic Compounds
Qingzhu Jia, Tianjin University of Science and Technology; Qiang Wang, Tianjin University of Science and Technology; jing Biao Chu, School of Material Science and Chemical Engineering, Tianjin University of Science and Technology; Peisheng Ma, Tianjin University

191k

Tensile and Flexural Properties in Carbon-Filled Polypropylene-Based Resins
Daniel Lopez Gaxiola, Michigan Technological University; Mary Jubinski, Michigan Technological University; Jason M. Keith, Michigan Technological University; Julia A. King, Michigan Technological University; Ibrahim Miskioglu, Michigan Technological University

191l

Molecular Modeling of Complex Fluids
Christopher Emborsky, Rice University; Kenneth Cox, Rice University; Walter Chapman, Rice University

191m

Compressed Liquid Densities for the n-Heptane + n-Decane System in the Temperature Range of 313 - 363 K
Rodolfo Quevedo-Nolasco Sr., Instituto Politécnico Nacional; Octavio Elizalde-Solis, INSTITUTO POLITECNICO NACIONAL-ESIQIE; Luis A. Galicia-Luna, INSTITUTO POLITECNICO NACIONAL

191n

Experimental Vapor-Liquid Equilibria for the Quaternary System (carbon dioxide + ethanol + n-hexane + thiophene) at 313 and 363 K
Rubén P. Mendo-Sánchez, Instituto Politécnico Nacional; Karla E. Vázquez-Hernández, Instituto Politécnico Nacional; Octavio Elizalde-Solis, INSTITUTO POLITECNICO NACIONAL-ESIQIE; Luis A. Galicia-Luna, INSTITUTO POLITECNICO NACIONAL-ESIQIE

191o

A New Modeling Approach for CO2- Water Mixed Gas Adsorption On Coals
Sayeed A. Mohammad, Oklahoma State University; Jing Chen, Oklahoma State University; Robert L. Robinson Jr., Oklahoma State University; Khaled A. M. Gasem, Oklahoma State University

191p

Revision and Extension of the COSMO-SAC Model
Chieh-Ming Hsieh, National Taiwan University; Stanley I. Sandler, University of Delaware; Shiang-Tai Lin, National Taiwan University

191q

Ice - Clathrate Hydrate - Gas Phase Equilibria for Argon + Water and Carbon Dioxide + Water Systems
Amir H. Mohammadi, MINES ParisTech, CEP/TEP - Centre Énergétique et Procédés; Dominique Richon, MINES ParisTech, CEP/TEP - Centre Énergétique et Procédés

191r

Density Measurements of Qatari Natural Gas Mixtures Via Magnetic Suspension Densimeter
Mert Atilhan, Qatar University; Santiago Aparicio, University of Burgos; Kenneth R. Hall, Texas A&M University

191s

Viscosity Characterization of Qatari Type Natural Gas Mixtures
Mert Atilhan, Qatar University; Santiago Aparicio, University of Burgos; Kenneth R. Hall, Texas A&M University

191t

Wong-Sandler Mixing Rules: Their Versatility Beyond Phase Equilibrium Calculations
Ricardo Macías-Salinas, Instituto Politécnico Nacional

191u

Transport and Thermodynamic Properties of Sp-Bonded Liquid Metals: Molecular Dynamics Simulations and Hard Sphere Perturbation Theories
R. Ravi, Indian Institute of Technology Madras; B Hemanth Kumar, Indian Institute of Technology Madras

191v

Partitioning of Synthetic Antibiotics in Ionic-Liquid-Based Aqueous Biphasic Systems
João M. M. Araújo, Instituto de Tecnologia Química e Biológica, ITQB; Mara G. Freire, Instituto de Tecnologia Química e Biológica, ITQB; Joao A.P. Coutinho, Universidade de Aveiro; Luís P. N. Rebelo, Instituto de Tecnologia Química e Biológica, ITQB; Isabel M. Marrucho, Instituto de Tecnologia Química e Biológica, ITQB

191w

Spreading On Nano Blend Perfluoropolyether Films Over Carbon-Overcoated Disks Via Molecular Dynamics
Pil Seung Chung, Carnegie Mellon University; Robert L. Smith, Carnegie Mellon University; Myung S. Jhon, Carnegie Mellon University

191x

Implementation of Acid and Base Site-Site Interaction to Characterize Vapor Liquid Equilibrium Behavior of Aliphatic Nitrates
Ehsan Moharreri, University of Akron; Phil Stuhldreher, University of Akron; Richard Elliott, University of Akron

191y

Cellulose Nanocrystals Liquid Crystalline Suspensions: Rheology and Phase Behavior
Esteban E. Ureña-Benavides, Clemson University; Christopher L. Kitchens, Clemson University; Virginia A. Davis, Auburn University; Ao Geyou, Auburn University

191z

Quantitative Structure-Property Relationship Model for Prediction of Octanol-Water Partition Coefficient
K. M. Yerramsetty, Oklahoma State University; B. J. Neely, Oklahoma State University; K. a. M. Gasem, Oklahoma State University

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