Accurate Ab Initio Thermochemistry Via Various Reaction Schemes
David R. Urban, Ilie Fishtik and Jennifer Wilcox, Chemical Engineering, Worcester Polytechnic Institute, 100 Institute Road, Worcester, MA 01609 |
Extension of the Trappe-Ua Force Field to Thiols, Sulfides and Disulfides
Jeffrey J. Potoff1, Nusrat Lubna2 and Ganesh Kamath2, (1)Department of Chemical Engineering, Wayne State University, 5050 Anthony Wayne Dr, Detroit, MI 48202, (2)Chemical Engineering, Department of Chemical Engineering, Wayne State University, 5050 Anthony Wayne Dr, Detroit, MI 48202 |
Nucleation for Confined Lennard-Jones Fluid by Density Functional Theory
Dong Fu and Lili Liang, Environmental Science and Engineering, North China Electric Power University, Baoding, 071003, China |
Bulk and Interfacial Properties of Simple Confined Fluids
Sang Kyu Kwak, Chemical and Biomolecular Engineering, Nanyang Technological University, Blk 1, Innovation Centre, 16 Nanyang Drive, Unit 100, Singapore, Singapore and Jayant K. Singh, General Motors India Science Laboratory, Bangalore, India |
Monte Carlo Simulation of Polymers within a Lattice
Erin N. Sawardecker, Marta Sales-Pardo and Luis A. N. Amaral, Chemical and Biological Engineering, Northwestern University, 2145 Sheridan Rd, TECH E136, Evanston, IL 60208 |
Thermodynamically Consistent Adaptation of Scaled Particle Theory to an Arbitrary Equation of State: Hard Sphere Fluid Properties and a New Reference System for Solvation Theories
Daniel W. Siderius, Purdue University, 480 Stadium Mall Drive, West Lafayette, IN 47907-2050 and David S. Corti, Purdue University, 480 Stadium Mall Drive, West Lafayette, IN 47907 |
The Effects of Disperse Attractions on Transport Properties Using Step Potential Equilibria and Dynamics (Spead)
Zeynep N. Gerek, The University of Akron, Dept. of Chemical Engineering, Akron, OH 44325, Neil H. Gray, ChemStations, Inc., 2901 Wilcrest Dr, Suite 305, Houston, TX 77042 and Richard Elliott, University of Akron, Chem Eng Dept, Akron, OH 44325-3906 |
First-Order Mean Spherical Approximation and Its Application to the Critical Region
Yiping Tang1, Jianguo Mi2, Chongli Zhong3 and Yi-Gui Li3, (1)Honeywell Process Solutions, 300-250 York St., London, ON N6A 6K2, Canada, (2)Dept. of Chem. Eng. ,The Key Lab of Bioprocess of Beijing, Beijing University of Chemical Technology, Beijing 100029, China, (3)Beijing University of Chemical Technology, Beijing 100029, China |
Thermodynamic Expression of Electrolyte Solution
Shuzo Ohe, Science University of Tokyo, 1-3 Kagurazaka, Shinjuku-ku, Tokyo, 162-8601, Japan |
Helical Structure from an Isotropic Homopolymer Model
Victor R. Vasquez, University of Nevada, Reno, Dept. of Chemical Engineering, Mail Stop 170, Reno, NV 89557-0136, Leo Lue, School of Chemical Engineering and Analytical Science, University of Manchester, P.O. Box 88, Sackville Street, Manchester, M60 1QD, United Kingdom, James Magee, School of Chemical Engineering and Analytical Science, University of Manchester, PO Box 88, Sackville Street, Manchester M60 1QD, United Kingdom and Jim Warwicker, Faculty of Life Sciences, University of Manchester, PO Box 88, Sackville Street, Manchester M60 1QD, United Kingdom |
Equation of State for Hard-Spheres and Hard-Chains in the Glassy Region
S. M. Waziri and Esam Z. Hamad, King Fahd University of Petroleum and Minerals, Chemical Engineering Dept, Dhahran, 31261, Saudi Arabia |
Thermodynamic Characterization of Milspec Hydrazine
Danielle L. Sanchez, Tim Jobe, Robert Rakoff, D.B. Wilson and Martha Mitchell, Chemical Engineering, New Mexico State University, Las Cruces, NM 88001 |
Global Parameter Optimization for Equations of State
Christopher Emborsky, David Miller and Sharon Sauer, Chemical Engineering, Rose-Hulman Institute of Technology, 5500 Wabash Ave, Terre Haute, IN 47803 |
Generalized Equation of State for the Perturbed-Chain Statistical Associating Fluid Theory
Hong Wei Xiang1, Francois Montel2, Alain Graciaa1, Christelle Miqueu1 and Bruno Mendiboure1, (1)Laboratoire des Fluides Complexes, University of Pau, CURS-Avenue de l'Universite, Pau, 64013, France, (2)Exploration and production, TOTAL, Avenue Larribau, Pau, 64018, France |
Incorporating Cross-Association in Aqueous Hydrogen Fluoride Mixtures
Barath Baburao, Tennessee Technological University, Dept. of ChE Box 5013, Cookeville, TN 38505 and Donald P. Visco Jr., Tennessee Technological University, Box 5013, Cookeville, TN 38505 |
Saft1-Rpm Equation of State: Application to Phase Equilibria and Thermodynamic Properties of Carbon Dioxide + Aqueous Electrolyte Solutions
Xiaoyan Ji, Sugata P. Tan, Hertanto Adidharma and Maciej Radosz, Department of Chemical and Petroleum Engineering, University of Wyoming, Laramie, WY 82071 |
Triangular-Well of Variable Width: Theory and Molecular Simulation
Felix F. Betancourt-Cárdenas, Laboratorio de Termodinamica, INSTITUTO POLITECNICO NACIONAL-ESIQIE, Lab. Termodinamica, UPALM, Edif. Z, 1er Piso, Sec. 6, Mexico, 07738, Mexico and Luis A. Galicia-Luna, INSTITUTO POLITECNICO NACIONAL-ESIQIE, Lab. Termodinamica, UPALM, Edif. Z, 1er Piso, Sec. 6, Mexico, 07738, Mexico |
Experimental Vapor-Liquid Equilibria for the Carbon Dioxide + Octane, and Carbon Dioxide + Decane Systems from 313 to 373 K
Rodrigo Jiménez-Gallegos, Laboratorio de Termodinámica, INSTITUTO POLITECNICO NACIONAL-ESIQIE, Lab. Termodinamica, UPALM, Edif. Z, 1er Piso, Sec. 6, Mexico, 07738, Mexico, Luis A. Galicia-Luna, INSTITUTO POLITECNICO NACIONAL-ESIQIE, Lab. Termodinamica, UPALM, Edif. Z, 1er Piso, Sec. 6, Mexico, 07738, Mexico and Octavio Elizalde-Solis, Laboratorio de Termodinamica, INSTITUTO POLITECNICO NACIONAL-ESIQIE, Lab. Termodinamica, UPALM, Edif. Z, 1er Piso, Sec. 6, Mexico, 07738, Mexico |
The Solubility, Compressed Liquid and Saturation Density of Phenol in Supercritical CO2
Abel Zuñiga-Moreno, Laboratorio de Termodinamica, INSTITUTO POLITECNICO NACIONAL-ESIQIE, Lab. Termodinamica, UPALM, Edif. Z, 1er Piso, Sec. 6, Mexico, 07738, Mexico and Luis A. Galicia-Luna, INSTITUTO POLITECNICO NACIONAL-ESIQIE, Lab. Termodinamica, UPALM, Edif. Z, 1er Piso, Sec. 6, Mexico, 07738, Mexico |
A New Algorithm for Calculating CO2-Crude Minimum Miscibility Pressure
Adel Elsharkawy, Petroleum Engineering Department, Kuwait University, B.O. Box 5969, Safat 13060, Kuwait |
Experimental Determination of the Liquid Phase Composition in the System CO2 / Methyldiethanolamine / H2o
Reda Sidi-Boumedine1, Elise PROVOST1, Walter FURST1, Viep Hoang-Dinh2 and Jean-Louis PEYTAVY2, (1)UCP, ENSTA, 32 Bd Victor, PARIS, 75015, France, (2)CSTJF, TOTAL, Avenue Larribau, Pau, 64018, France |
Diffusion and Viscosity in Gas-Expanded Liquids
Malina E. Janakat1, Christopher L. Kitchens1, Jason P. Hallett1, Xiuyang LU2, Natalie B. Maxey1, Megan Donaldson1, Charles L. Liotta1 and Charles A. Eckert1, (1)Chemical and Biomolecular Engineering, Georgia Institute of Technology, 311 Ferst Drive NW, Atlanta, GA 30332-0100, (2)Department of Chemical and Biochemical Engineering, Zhejiang University, 38 Zheda Road, Hangzhou, 310027, China |
Friction Theory and Free-Volume Theory Coupled with Statistical Associating Fluid Theory in Viscosity Modeling: Pure N-Alkanes
Sugata P. Tan, Hertanto Adidharma, Brian F. Towler and Maciej Radosz, Department of Chemical and Petroleum Engineering, University of Wyoming, Laramie, WY 82071 |
An Eos-Based Viscosity Model for Polymer-Solvent Mixtures
Edmundo Etchechury-Alvarez and Ricardo Macias-Salinas, ESIQIE-Chemical Engineering Dept., Instituto Politécnico Nacional, UPALM, Av. IPN s/n, Col. Lindavista, Mexico, D.F., Mexico |
Thermodynamics of Water Interaction in Stratum Corneum by Using Isothermal Calorimetry
Santosh Yadav1, Gerald B. Kasting2 and Neville G. Pinto1, (1)Chemical & Materials Engineering, University of Cincinnati, P.O. Box 210012, Cincinnati, OH 45221-0012, (2)College of Pharmacy, University of Cincinnati, 407 Wherry Hall, Cincinnati, OH 45267-0004 |
Modelling of Nanocapsules Formation: Phase Separation during Mass Transfer Processes
Hassou Maria1, Yann le Gorrec2, Christian Jallut1, Françoise Couenne1 and Melaz Tayakout1, (1)Université Claude Bernard Lyon 1, Laboratoire de Génie des Procédés et d'Automatique, Bat. 308 G, 43 bd du 11 Novembre, Villeurbanne, France, (2)Université Claude Bernard Lyon 1, Laboratoire de Génie des Procédés et d'Automatique, Bat. 308 G, 43 bd du 11 novembre, Villeurbanne, France |
Measurement and Modeling of Glass Transition Temperature of Cryoprotected Protein Crystallization Solutions
Binal N. Shah, Unmesh N. Chinte and Constance A. Schall, Department of Chemical and Environmental Engineering, The University of Toledo, 2801 West Bancroft Street, Toledo, OH 43606 |
Response Surface Model on the Determination of Partial Molar Volume, Partial Molar Refraction, Electronic Polarizability and Molecular Radii from Dilute Multi-Component Data Alone
Marc Garland and Martin Tjahjono, National University of Singapore, Department of Chemical & Biomolecular Engineering, 4 Engineering Drive 4, Singapore, 117576, Singapore |
ß-D Galactose Pentaacetate - Supercritical Carbon Dioxide as a Novel Binder-Binder Removal Agent for Metal Casting Operations: Phase Behavior of the Binary System
Cerag Dilek, Charles W. Manke and Esin Gulari, Wayne State University, 5050 Anthony Wayne Drive, Detroit, MI 48202 |
Gas Hydrate Equilibria in Porous Media with Pore Size Distributions
Sangyong Lee, Texas A&M University-Kingsville, MSC 193, 700 Univrersity Blvd, Kingsville, TX 78363-8202 and Jae W. Lee, Department of Chemical Engineering, The City College of New York, 140th street and Convent Ave, New York, NY 10031 |
Mass Transfer of a Methane Hydrate under Controlled Conditions of Water
Keiichi Ogasawara, Akihiro Yamasaki and Fumio Kiyono, A.I.S.T, 16-1, Onogawa, Tsukuba, Ibaraki 305-8569, Japan |
A Comparison of Variable Reference Potential Models for Gas Hydrates
Gerald D. Holder, University of Pittsburgh, 240 Benedum Engineering Hall, Pittsburgh, PA 15261, Yi Zhang, University of Pittsburgh, 1249 Benedum Engineering Hall, Pittsburgh, PA 15261 and Robert P. Warzinski, U.S. Department of Energy, National Energy Technology Laboratory, P.O. Box 10940, Pittsburgh, PA 15236 |
Prediction of the Dissociation Condition of a Simple Hydrate Phase on an H-Lw-V Line in Isochoric Operation
Fumio Kiyono, A.I.S.T., 16-1, Onogawa, Tsukuba, Ibaraki 305-8569, Japan, Hideo Tajima, AIST, 16-1 Onogawa, Tsukuba, Ibaraki 305-8569, Japan, Keiichi Ogasawara, A.I.S.T, 16-1, Onogawa, Tsukuba, Ibaraki 305-8569, Japan and Akihiro Yamasaki, AIST, 16-1, Onogawa, Tsukuba, Ibaraki, 305-8569, Japan |
First Principles on Optical and Electronic Properties Si Nanowires
Trinh Vo, Andrew Williamson and Giulia Galli, Lawrence Livermore National Laboratory, Livermore, CA 94550 |
On the Thermodynamics of Chain Fluids from Simulation and the Heteronuclear Statistical Associating Fluid Theory
Yun Peng, Honggang Zhao and Clare McCabe, Department of Chemical Engineering, Vanderbilt University, Nashville, TN 37235-1604 |