2014 AIChE Annual Meeting

Session: Poster Session: Thermodynamics and Transport Properties (Area 1A)

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

Neeraj Rai, Mississippi State University

Co-Chair

Andrew Paluch, Miami University

Presentations

06:00 PM

(231s) Thermal Analysis of Green Algae for Comparing Relationship Between Particle Size and Heat Evolved
Bongmun Kang
(231v) Application of the Marrero and Pardillo Property Estimation Method to Unsubstituted Polycyclic Aromatic Hydrocarbons (PAH) and Fullerenes
Christopher Pope
(231bd) Application of Volume Translation to Process Calculations
Amit Purohit
(231al) Thermohydraulic Characteristics of a MICRO-Fin TUBE with Twisted Tape Inserts
Smith Eiamsa=Ard
(231ag) Thermophysical Properties of Fresh and Lean Thermally Degraded N-Methyldiethanolamine
Ahmad Abukaashabeh, Emad Alhseinat, Sameer Al-Asheh, Fawzi Banat, Vikas Mittal
(231x) Methanol Content in Natural Gas Systems: Modelling with the GC-PR-CPA EoS
Martha Hajiw, Antonin Chapoy, Christophe Coquelet
(231aj) Quantification of Hydrogen Bond Enthalpy and Entropy with COSMO Polarization Charge Densities
Andreas Klamt
(231ao) Application of the COSMO-SAC-Dsp Model in Drug Solubility Prediction
Chieh-Ming Hsieh
(231c) Resummed Thermodynamic Perturbation Theory for Bond Cooperativity in Associating Fluids with Small Bond Angle
Amin Haghmoradi, Bennett D. Marshall, Walter G. Chapman
(231be) A QSPR Approach for Accessing the Lower Heating Value
Karsten Müller, Johannes Albert, Wolfgang Arlt
(231ap) Solvent Properties of Lipidic Ionic Liquids
Blane D. Green, Kevin West, Richard A. O'Brien, James H. Davis
(231g) Viscosity Prediction Model for Kuwaiti Heavy Crude Oils at Elevated Temperatures
Adel Elsharkawy, Osamah Alomair, Hassan Alkandari
(231as) Density and Speed of Sound of Binary Mixtures of (Diethyl Malonate + Methanol) at Different Temperatures and Atmospheric Pressure
Ricardo Torres, Mariana Libório
(231ah) Hydration Free Energies Calculated Using the AMBER ff03 Charge Model for Natural and Unnatural Amino Acids and Multiple Water Models
George Khoury, Nikita Bhatia, Christodoulos A. Floudas
(231e) Prediction of Kinematic Viscosities and Vapor-Liquid Equilibria for Ternary Systems Using Activity Coefficient Model
Katsumi Tochigi, Hiroyuki Matsuda, Kiyofumi Kurihara, Toshitaka Funazukuri, V.K. Rattan
(231at) Physical Property and Free Volume Correlations of Highly-Branched Alkylimidazoles for Gas Separations
Matthew S. Shannon, Joshua Moon, A. Christopher Irvin, Haining Liu, C. Heath Turner, Jason E. Bara
(231a) Modeling Synthesis of Mesoporous Silica Materials with Hybrid MD/MC Simulations
Szu-Chia Chien, Germán Pérez-Sánchez, José R. B. Gomes, Miguel Jorge, Scott M. Auerbach, Peter A. Monson
(231an) Conceptual Process Design for Separation of Rare Gases Using Ionic Liquids
Waheed Afzal, Xiangyang Liu, Brian Yoo, John M. Prausnitz
(231aa) Estimation of the Acentric Factor for Polycyclic Aromatic Hydrocarbons (PAH) and Fullerenes
Christopher Pope
(231au) Molecular Simulation Study of Diffusion of Alcohol-Water Mixture in Polyacrylate Membranes
Sriramvignesh Mani, Rajesh Khare
(231aq) Minimum in the Thermal Conductivity of Supercooled Water: A Computer Simulation Study
John Biddle, Fernando Bresme, Mikhail A. Anisimov, Jan Sengers
(231av) Octanol-Water Partition Coefficient of Trichloroethylene Via Molecular Simulations
Himanshu Goel, Shanmuga Venkatesan, Daniel C Botta, Neeraj Rai
(231am) To Dramatically Improve the Ability of CO2 Capture By Ionic Liquids - Is It a Critical Criterion to Focus in Nano-Scale?
Xiaohua Lu, Wenlong Xie, Xin Feng, Tengteng Fan
(231aw) Developing First Principles Monte Carlo Methods for Phase Equilibria in the CP2K Software Suite
Neeraj Rai, J. Ilja Siepmann, Troy van Voorhis, Ben Slater, Michiel Sprik
(231i) Phase Behaviour of Ether Alcohol Blends for Reformulated Gasoline
Travis P. Benecke
(231j) Molecular Fundamentals of the Solubility of Gases in Liquid Crystals
Bernardo Oyarzún
(231ax) Structural and Transport Properties of Liquid Benzene
Shanmuga Venkatesan, Neeraj Rai, J. Ilja Siepmann, Katie A. Maerzke
(231ar) Reaction Kinetics of Some Important Alkanolamines with Carbon Dioxide in Aqueous Solutions Using Stopped Flow Technique
Abdelbaki Benamor, Mohammed Jaber Almarri
(231y) Efficient Methods for Characterizing Biomolecular Hydration and Interactions
Amish Patel, Erte Xi
(231n) Solubility of Essential Oils in Liquid and Supercritical Carbon Dioxide
Odell Glenn
(231ab) Understanding the Behavior of Human Serum Albumin in Ionic Liquids Using Molecular Dynamics and Metadynamics
Vance Jaeger, Jim Pfaendtner
(231h) A Study on the CO2 Uptake Behaviour of Supported [Hmim][NTf2] IL Sorbents
Xin Feng, Wenlong Xie, Tengteng Fan, Xiaohua Lu
(231p) Comparison of Equation-of-State and Activity Coefficient Models for Representation of Vapor-Liquid Equilibrium Using the Peng Robinson Equation-of-State and Uniquac Activity Coefficient Model
Younas Dadmohammadi, Solomon B. Gebreyohannes, Agelia M. Abudour, Brian J. Neely, Robert L. Robinson, Khaled A. M. Gasem
(231q) Effect of Anions on CO2 Solubility of Ionic Liquids Using a Magnetic Suspension Balance
Daisuke Kodama, Masaki Watanabe, Takuya Shimomura, Takashi Makino, Mitsuhiro Kanakubo
(231ac) Application of Two Novel Modified NRTL Models for Stability Check, Miscibility, Incipient and Coordinates of Consolute Point of Binary Liquid-Liquid Equilibria Systems
Younas Dadmohammadi, Solomon B. Gebreyohannes, Brian J. Neely, Robert L. Robinson, Khaled A. M. Gasem
(231w) Relationship Between Viscosity and CO2 Loading in Aqueous and Non-Aqueous Amine Solvents
Jason E. Bara, Jason M. Tedstone, Claire Belson, John W. Whitley
(231ay) Volumetric, Viscometric and Acoustic Properties of Binary Mixtures of n-Butylamine Acetate + 1-Propanol at Different Temperatures and Atmospheric Pressure
Ricardo Torres, Andreia Morandim-Giannetti, Gustavo Olivieri
(659b) Thermodynamic Analysis of a Lignocelullose-Based Furfural Biorefinery
Carlos A. Cardona, Hector A. Forero, Valentina Aristizábal, Alvaro Gómez
(231l) A Study on Phase Behaviour and Its Application to Cryogenic Technologies for Treatment of Gas Fields with High CO2 Content
Dhanaraj Turunawarasu, Rohaizad Norpiah, Adil Pottayil
(231az) Liquid Dynamic Viscosities of 1-Butanol and 2-Butanol up to 30 Mpa and 353 K
Luis A. Galicia-Luna, Alfredo Pimentel-Rodas, Jose J. Castro-Arellano
(231f) The Gibbs-Helmholtz Equation in Chemical Process Technology
Paul M. Mathias
(231ba) Experimental Determination of Densities of the Thiophene + Heptane and Thiophene + Nonane Mixtures up to 353 K and 20 Mpa
Luis A. Galicia-Luna, Jose Domenzain-Gonzalez, Jose J. Castro-Arellano
(231ae) Atomistic Models for High-Throughput Prediction of Hydration Free Energies
Jia Fu, Jianzhong Wu
(231k) Multi-Phase Equilibrium Flash with Salt Deposition in Systems with Multiple Salts
Angelo Lucia, Heath Henley, Edward Thomas, Ariana Clements
(231m) Phase Behaviour and Interfacial Properties of Triangle Well Fluids
Angan Sengupta, Jhumpa Adhikari
(231t) At the Interface Between Academic Statistical Mechanics and Industrial Process Design: Some Practical Guidelines for Equation of State Development
Arthur S. Gow, Robert Kelly, Jonathan Smolen, Anna O'Malley
(231af) A Molecular Thermodynamic Model for the Stability of Hepatitis B Capsids
Jehoon Kim, Jianzhong Wu
(231u) Solubility of CO2 in Deep Eutectic Solvents: Experiments and Modeling
Mohamed K. Hadj-Kali, Inas M. Alnashef, Emad M. Ali, Sarwono Mulyono
(231bb) Vapor -Liquid Equilibrium of the Ethyl Acetate and Isoamyl Acetate System at 500 Mbar, 1013.25 Mbar y 1500 Mbar
Grace V. de Leon, Andres Sanchez
(231o) Sigma Profile Generation with Conceptual Segment Approach
M. R. Islam, Chau-Chyun Chen