A Critical Comparison of Nrhb with Saft and Simplified Pc-Saft
Ioannis Tsivintzelis1, Andreas Grenner2, Ioannis Economou2, Georgios M. Kontogeorgis2 and Costas Panayiotou1, (1)Department of Chemical Engineering, University of Thessaloniki, 54124 Thessaloniki, Greece, Thessaloniki, Greece, (2)Department of Chemical Engineering, Technical University of Denmark, Lyngby, D2800, Denmark |
Molecular Modeling of High-Energy Materials
Nandhini Sokkalingam1, MaryBeth Helen Ketko2 and Jeffrey J. Potoff1, (1)Department of Chemical Engineering, Wayne State University, 5050 Anthony Wayne Dr, Detroit, MI 48202, (2)Chemical engineering and materials science, Wayne State University, 5050 Anthony Wayne Dr., Detroit, MI 48202 |
Effects Of Attractive Forces On The Diffusivity Based On The Speadmd Model
J. Richard Elliott, Chemical and Biomolecular Engineering, University of Akron, Akron, OH 44325-3906, Zeynep N. Gerek, The University of Akron, Dept. of Chemical Engineering, Akron, OH 44325 and Neil H. Gray, Chemstations Inc., 2901 Wilcrest Drive, Houston, TX 77042 |
Transferable Step Potentials For Nitrates, Phosphates, And Acids
J. Richard Elliott and Amir Vahid, Chemical and Biomolecular Engineering, University of Akron, Akron, OH 44325-3906 |
Lennard-Jones Repulsive Potential And Phase Equilibrium Of Organic Molecules
Damien Bernard-Brunel and Jeffrey Potoff, Department of Chemical Engineering, Wayne State University, 5050 Anthony Wayne Dr, Detroit, MI 48202 |
Evaluation Of Aqueous Partial Molar Volumes From Molecular Simulations
Ashish V. Sangwai, Department of Chemical and Biomolecular Engineering, Tulane University, 300 Lindy Boggs Center, New Orleans, LA 70118 and Hank Ashbaugh, Department of Chemical and Biomolecular Engineering, Tulane University, 6823 St. Charles Avenue, New Orleans, LA 70118 |
Molecular Simulation of First Order Perturbation Theory for the Long Range Triangular-Well Potential
Felix F. Betancourt-Cárdenas, Laboratorio deTermodinámica-SEPI, 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 Stanley Sandler, University of Delaware, Department of Chemical Engineering, Newark, DE 19716 |
Perturbation Theory for the Long Range Square Well Potential
Felix F. Betancourt-Cárdenas, Laboratorio deTermodinámica-SEPI, 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 Stanley Sandler, University of Delaware, Department of Chemical Engineering, Newark, DE 19716 |
Development of All-Atom Force Field for Perfluorosulfonic Acid Ionomer Using Ab Initio Calculations
Xiaobo Ji1, Liuming Yan2 and Wencong Lu2, (1)Department of Chemistry, College of Sciences, School of Material Science and Engineering, Shanghai University, 99 Shangda Road, Shanghai, 20044, China, (2)Department of Chemistry, College of Sciences, Shanghai University, 99 Shangda Road, Shanghai, 20044, China |
Consideration Of The Entropy In The Prediction Of Stable Crystalline Polymorphs
Tai Boon Tan, Nancy Cribbin, Andrew Schultz and David A. Kofke, Chemical and Biological Engineering, University of Buffalo, 303 Furnas Hall, SUNY at Buffalo, Buffalo, NY 14260 |
A Computational Study Of The Phase Diagram Of Metals
Caroline Desgranges, Department of Chemical Engineering
, University of South Carolina, 301 South Main Street, Columbia, SC 29208 and Jerome Delhommelle, Chemical Engineering, University of South Carolina, 301 South Main Street, Columbia, SC 29208 |
V.L.E. Of Ethanol And Ethanediol From Molecular Dynamics Simulations And Voronoi Tessellations
Jared T. Fern, Physical Properties Research Facility, The University of Tennessee, 327 Dougherty Engineering Bldg., 1512 Middle Drive, University of Tennessee, Knoxville, Knoxville, TN 37831-6273, David J. Keffer, The University of Tennessee, 419 Dougherty Hall, Knoxville, TN 37996 and William V. Steele, ORNL/Chemical Engineering, University of Tennessee, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6181 |
Prediction of Temperature-Dependent Properties by Correlations Based on Similarity of Molecular Structures
Haim Shore1, Diamanta Benson-Karhi1, Neima Brauner2 and Mordechai Shacham3, (1)Industrial Engineering, Ben Gurion University of the Negev, Beer-Sheva, 84105, Israel, (2)School of Engineering, Tel-Aviv University, Tel-Aviv, 69978, Israel, (3)Ben Gurion University of the Negev, Chemical Engineering Department, Beer-Sheva, 84105, Israel |
Multiflash: A Cape Open 1.1 Thermodynamics Package With Multiphase Capabilities
Beryl Edmonds, Tony Moorwood, Richard Szczepanski and Xiaohong Zhang, Infochem Computer Services Ltd, 13 Swan Court, 9 Tanner Street, London, SE1 3LE, United Kingdom |
Improved Property Prediction through Refinement of Contribution Factors
Tariq A. Khan, SimSci-Esscor - Global Solutions Development, Invensys Development Center India Pvt. Ltd., Plot #17, Orion Building, BLock - J, VIT Park, Software Units Layout - Madhapur, Hyderabad, India and David Bluck, IPS, Invensys/SimSci-Esscor, 26561 Rancho Parkway South, Suite 100, Lake Forest, CA 92630 |
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 and Amparo Galindo, Chemical Engineering, Imperial College, S. Kensington Campus, SW7 2AZ, London, United Kingdom |
Developing a Group Contribution Based Saft-Vr Equation of State
Yun Peng, Kimberly Goff, M. Carolina Dos Ramos and Clare McCabe, Department of Chemical Engineering, Vanderbilt University, Nashville, TN 37235-1604 |
Utilization of Quantum Mechanically Determined Molecular Properties in Predictive Equations of State
Kai Leonhard, Mahendra Sing, Van Nhu Nguyen and Klaus Lucas, Chair of Technical Thermodynamics, RWTH Aachen University, Schinkelstr. 8, Aachen, 52062, Germany |
Prediction of Asphaltene Precipitation from Crude Oil Using Tuned Eos by Empirical Model
Bader H. Al-Busairi, Sami H. Ali and Mohamed A. Fahim, Chemical Engineering, Kuwait University, P.O.Box 5969, Safat, 13060, Kuwait |
Equation of State Correlation of Vapor-Liquid-Liquid Equilibria
Sabyasachi Sen, Invensys SimSci-Esscor, 26561 Rancho Parkway South, Suite 100, Lake Forest, CA 92630 |
Thermodynamic Model for Solvent Deasphalting of Vacuum Residue
Martha J. Parra, Instituto Colombiano del Petróleo, ECOPETROL, S.A., Piedecuesta, Colombia and Wilson A. Cañas-Marin, Asesorías Tecnológicas en Producción (ATP), Piedecuesta, Colombia |
An Eyring-Theory-Based Model to Predict Crude Oil Viscosity at Reservoir Conditions
Ricardo Macías-Salinas1, Cecilia Durán-Valencia2, Simón López-Ramírez3 and Christian Bouchot1, (1)ESIQIE-Departamento de Ingeniería Química, Instituto Politécnico Nacional, UPALM, Av. IPN s/n, Col. Lindavista, México, D.F., 07738, Mexico, (2)Programa de Recuperación Mejorada de Hidrocarburos, Instituto Mexicano del Petróleo, Eje Central Lázaro Cárdenas 152, México, D.F., 07730, Mexico, (3)Programa de Ingeniería Molecular, Instituto Mexicano del Petróleo, Eje Central Lázaro Cárdenas 152, México, D.F., 07730, Mexico |
Extension of a Clausius - Clapeyron Model for Predicting the Dissociation Heat of Gas Hydrates
Amir H. Mohammadi, Waheed Afzal and Dominique Richon, Centre Energétique et Procédés, CEP-TEP, CNRS FRE 2861, Ecole Nationale Supérieure des Mines de Paris, 35 Rue Saint Honoré, Fontainebleau, 77305, France |
Configurational Probabilities for Symmetric Dimers on a Lattice: An Analytical Approximation with Exact Limits at Low and High Densities
Yiming Chen1, Gregory Aranovich2 and Marc Donohue2, (1)Chemical and Biomolecular Engineering, Johns Hopkins University, 3400 N Charles Street, Baltimore, MD 21218, (2)Chemical & Biomolecular Engineering, Johns Hopkins University, 3400 North Charles Street, Baltimore, MD 21218 |
Useful Remarks to Reduce Experimental Information Required to Determine Water Content of Gas in Equilibrium with Gas Hydrate, Ice or Liquid Water
Amir H. Mohammadi1, Waheed Afzal1 and Dominique Richon2, (1)Centre Energétique et Procédés, CEP-TEP. CNRS FRE 2861, Ecole Nationale Supérieure des Mines de Paris, 35 Rue Saint Honoré, Fontainebleau, 77305, France, (2)Centre Energétique et Procédés, CEP-TEP, CNRS FRE 2861, Ecole Nationale Supérieure des Mines de Paris, 35 Rue Saint Honoré, Fontainebleau, 77305, France |
Metastable Cluster Intermediates In The Condensation Of Charged Macromolecule Solutions
Shelby B. Hutchens, Chemical Engineering, California Institute of Technology, Pasadena, CA 91125 and Zhen-Gang Wang, California Institute of Technology, Mail Code 210-41, Pasadena, CA 91125-4100 |
Vapor-Liquid Equilibria For Binary Systems Consisting Of Hexafluoroethane (R116) With Ethane And Propane
D. Ramjugernath1, Christophe Coquelet2, Alain Valtz3 and Dominique Richon2, (1)Chemical Engineering, University of KwaZulu-Natal, King George V Avenue, Durban, South Africa, (2)Centre Energétique et Procédés, Ecole Nationale Supérieure des Mines de Paris, 35, rue Saint honoré, Fontainebleau, 77305, France, (3)CEP/TEP, Ecole National Superieure des Mines de Paris, 35, rue Saint Honore, Fontainebleau, France |
Modeling And Experimentation Of Polyol+Blowing Agent Systems
Suresh Yelisetty and Donald P. Visco Jr., Tennessee Technological University, Box 5013, Cookeville, TN 38505 |
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 Subramoney1, Wayne Michael Nelson2, P Naidoo2, D Ramjugernath2, Christophe Coquelet3 and Dominique Richon4, (1)University of KwaZulu-Natal, Durban, South Africa, (2)Chemical Engineering, University of KwaZulu-Natal, Durban, South Africa, (3)Centre Energétique et Procédés, Ecole Nationale Supérieure des Mines de Paris, 35, rue Saint honoré, Fontainebleau, 77305, France, (4)CEP / TEP ENSMP, 35, rue Saint Honoré 77305 Fontainebleau, Fontainebleau, France |
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 and Sergio Alvarez-Badillo, INSTITUTO POLITECNICO NACIONAL-ESIQIE, Lab. Termodinamica, UPALM, Edif. Z, 1er Piso, Sec. 6, Mexico, 07738, Mexico |
Studies On Mass Transfer With A Methane Hydrate For Methane Gas Production
Keiichi Ogasawara, Akihiro Yamasaki and Fumio Kiyono, A.I.S.T, 16-1, Onogawa, Tsukuba, Ibaraki 305-8569, Japan |
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-Bermúdez1, Luis A. Saavedra-Molina1 and Luis A. Galicia-Luna2, (1)Laboratorio deTermodinámica-SEPI, INSTITUTO POLITECNICO NACIONAL-ESIQIE, Lab. Termodinamica, UPALM, Edif. Z, 1er Piso, Sec. 6, Mexico, 07738, Mexico, (2)INSTITUTO POLITECNICO NACIONAL-ESIQIE, Lab. Termodinamica, UPALM, Edif. Z, 1er Piso, Sec. 6, Mexico, 07738, Mexico |
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-Ruiz1, Luis A. Galicia-Luna2, Sergio Alvarez-Badillo1 and Edson Alvarez-Badillo1, (1)Laboratorio deTermodinámica-SEPI, INSTITUTO POLITECNICO NACIONAL-ESIQIE, Lab. Termodinamica, UPALM, Edif. Z, 1er Piso, Sec. 6, Mexico, 07738, Mexico, (2)INSTITUTO POLITECNICO NACIONAL-ESIQIE, Lab. Termodinamica, UPALM, Edif. Z, 1er Piso, Sec. 6, Mexico, 07738, Mexico |
Hydrogen Storage Property of New Li-Al-N-H System
Jun Lu, Zhigang Fang and Hong Yong Sohn, Metallurgical Engineering, Univeristy of Utah, 135 South 1460 East, Room 412, Salt Lake City, UT 84112 |
Hydrogen Storage Properties Of The Li-Mg-N System
Brady G. Butler, Metallurgical Engineering, University of Utah, 135 S 1460 E Rm 412, Salt Lake City, UT 84112 and Zhigang Zak Fang, Department of Metallurgical Engineering, University of Utah, 135 South 1460 East Room 412, Salt Lake City, UT 84112-0114 |
Experimental and Predicted Dynamic Viscosities of Mixed Ester Lubricants
Luis Lugo1, Xavier Canet2, María J. P. Comuñas1, Alfonso S. Pensado1 and Josefa Fernández1, (1)Applied Physics, Thermophysical Properties Laboratory, Universidad de Santiago de Compostela, Campus Sur s/n, E-15782, Santiago de Compostela, Spain, (2)Laboratoire de Thermodynamique, Faculté Polytechnique de Mons, Rue de Houdain, 9, B-7000, Mons, Belgium |
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 and Luis A. Galicia-Luna, INSTITUTO POLITECNICO NACIONAL-ESIQIE, Lab. Termodinamica, UPALM, Edif. Z, 1er Piso, Sec. 6, Mexico, 07738, Mexico |
Automated Density And Speed Of Sound Measurements Of Aviation Jet Fuels Over A Wide Range Of Temperature And Pressure
Stephanie L. Outcalt1, Malte Freund2, Hans-Dieter Seelig3 and Arno Laesecke1, (1)Physical and Chemical Properties Division, NIST, 325 Broadway, MC 838.07, Boulder, CO 80305-3337, (2)Dept. of Mechanical Engineering, University of Hannover, Hannover, Germany, (3)Bioserve Space Technologies, University of Colorado, Boulder, CO |
Colloid Transport and Retention in Porous Media in the Presence of Energy Barrier
Marcin M. Niewiadomski, Huilian Ma and William P. Johnson, Geology and Geophysics, University of Utah, 135 South 1460 East, Browning Building - Room 719, Salt Lake City, UT 84112-0011 |
Coupling Between Diffusion And Orientation Relaxation In A Cromolyn Aqueous Solution
Kirt Linegar1, Adedayo Adeniran1, Andrei F. Kostko2 and Mikhail A. Anisimov1, (1)University of Maryland, Department of Chemical and Biomolecular Engineering, University of Maryland, College Park, MD 20742, (2)Department of Chemical Engineering, Virginia Commonwealth University, Richmond, VA 22284 |
Buoyant Plumes And Hydrodynamic Mixing Caused By Solute Gradients From Metabolizing Bacteria
Michael R. Benoit, Microbiology & Immunology, Stanford University, 299 Campus Dr., West, Stanford, CA 94305-5124, Robert B. Brown, Department of Astronautics, USAF Academy, Colorado Springs, CO 80840, Emily S. Nelson, NASA Glenn Research Center, Cleveland, OH 44135-3191, Paul W. Todd, Space Hardware Optimization Technology, Inc, 7200 Highway 150, Greenville, IN 47124-9515 and David M. Klaus, Aerospace Engineering Sciences, University of Colorado, Boulder, CO 80309 |
Measurement and Correlation of Solubilities of Salicylic Acid in Water and Cosolvent Systems Using Hplc
Katsumi Tochigi1, Hiroyuki Matsuda1, Kenta Kaburagi1, Kiyofumi Kurihara1 and Kazuo Tomono2, (1)Department of Materials and Applied Chemistry, Nihon University, 1-8 Surugadai, Kanda, Chiyoda-ku, Tokyo, 101-8308, Japan, (2)College of Pharmacy, Nihon University, Chiba, Japan |
|