2016 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. Selected papers will be invited to give a short presentation in a separate session.

Chair

Andrew Paluch, Miami University

Co-Chair

Neeraj Rai, Mississippi State University

Presentations

06:00 PM

(262r) Understanding Branching Effect on Phase Behavior of Alkanes Using a Dimer Version of SAFT-Lj
(262ad) Real-Component Based Molecular Characterization of Petroleum Fluids
Meng Wang, Chau-Chyun Chen
(262q) Development of a Thermodynamic Model for Confined Fluids
Noura Dawass, Ioannis G. Economou, Marcelo Castier, Michelle D'Lima
(262af) Phase Equilibrium of Major Components of Essential Oils in Liquid and Supercritical Carbon Dioxide
Odell L. Glenn
(262ae) Predicting Mosced Parameters for Nonelectrolyte Solids Using Electronic Structure Calculations
Andrew Paluch, Jeremy Phifer
(262g) Mixing Behavior in Aupt Bimetallic Nanoparticles
Srikanth Divi, Abhijit Chatterjee
(262c) Material Development
Lin Yao, Jong-Min Lee
(262ab) Remote Read-out System for Thermal Barcode Based on Phase Change Materials
Sichao Hou, Ming Su
(262v) Modeling Phase Equilibria Using Numerical Algebraic Geometry
Hythem Sidky, Jonathan Whitmer, Alan Liddell, Jonathan Hauenstein, Dhagash Mehta
(262ag) Volumetric, Acoustic and Viscometric Properties of Binary Mixtures of (n-Butylammonium based ionic liquid + Ethanol) at Different Temperatures
Ricardo B. Torres, Samara S. Bittencourt, Heloisa E. Hoga, José V. H. D'Angelo
(262be) Understanding Adsorption on the Anatase TiO2 (101) Surface
Samantha L. Miller, Ryan Trottier, Christopher L. Muhich, Alan Weimer, Charles B. Musgrave
(262d) Phase Transition of Acid Clathrate Hydrate Related to the Proton Conduction: Structural Analysis of Perchloric Acid Hydrate
Kyuchul Shin, Minjun Cha, Wonhee Lee, Huen Lee
(262y) Mathematical Modeling of Compressed CO2 Expansion through a Coanda Nozzle
Odell L. Glenn
(262av) Apparent Molar Volumes of Saccharides in Aqueous Sodium Chloride Mixtures at Different Temperatures
Ricardo B. Torres, Barbara M. Ortega, Ronaldo G. Santos
(262s) Modification of Staverman-Guggenheim Combinatorial Entropy Expression
Yifan Hao, M. R. Islam, Chau-Chyun Chen
(262ah) Modeling Sorption and Phase Equilibria Using CP2K Software Suite
Neeraj Rai, Himanshu Goel, Charles Butler, Zachary Windom, Amber Jackson
(262t) Spectroscopic Identification of Hydroxyl Group Positioning in Butanol Hydrates
Minjun Cha, Yeobum Youn
(262e) Aluminum Nitride Hydrolysis Enabled By Hydroxyl-Mediated Surface Proton Hopping
Christopher J. Bartel, Christopher L. Muhich, Alan Weimer, Charles B. Musgrave
(262h) First Principles Design of Active and Durable Catalysts Toward Oxygen Reduction and Evolution Reactions
Byungchan Han, Jeemin Hwang
(262ai) Molecular Modeling of Nonionic Block Copolymer Micelles
Shun Xi, Walter Chapman
(262al) SAFT-Q: A Transferable Parameter Quartic Equation of State Version of the Statistical Associating Fluid Theory for Pure Fluids and Mixtures
Arthur S. Gow, Jonathan Smolen, Matthew Seaman
(262ac) Solubility of Squalene and Squalene + Palmitic Acid in Supercritical Carbon Dioxide
Teresa Rosales-García, Gloria Dávila-Ortiz, Alfredo Pimentel-Rodas, Luis A. Galicia-Luna, Darío I. Téllez-Medina
(262az) A SAFT-Based Equation of State for Electrolyte Solutions; Focused on Second Order Thermodynamic Properties
Mohammad Reza Dehghani, Reza Shahriari
(262bd) Study on the Transient Interfacial Tension in a Microfluidic Droplet Formation Coupling Interphase Mass Transfer Process
Wenjie Lan, Shaowei Li, Che Wang, Xuqiang Guo, Guangsheng Luo
(262w) Eulerian Volume-Averaged Model and Numerical Simulations of Reactive Solid-Liquid Mixtures
Costa Reis Martina, Wang Yongqi, Heß Julian
Inorganic systems
(262aw) Ionic Current Rectification in a Polyelectrolyte-Modified Conical Nanopore
Shiojenn Tseng, Chih-Yuan Lin, Hou-Hsueh Wu, Jyh-Ping Hsu
Phase-equilibria
(262ax) Diffusiophoresis of a pH-Regulated Toroidal Polyelectrolyte in a Solution Containing Multiple Ionic Species
Jyh-Ping Hsu, Shang-Hung Hsieh, Shiojenn Tseng
Ionic solutions and liquids
(262u) Volumetric and Viscometric Properties of a Binary Mixture of a Model Diesel Compound with a Biobased Additive
Jesus Esteban, Tom Simons, Halina Murasiewicz, Serafim Bakalis, Peter J. Fryer
(262i) Experimental and Computational Studies on the Reactivity and Binding Mode of Thiophene on Ni/La-Doped  (6,0)ZnO Nanotube
Peng Wang, Huiping Tian, Yan Sun, Shiping Huang
Interfaces
Hydrates
(262aq) Improving the Backbone of Activity Models
Gerard.J.P. Krooshof, Remco Tuinier, Gijsbertus de With
(262ba) Consideration of Ionic Liquid Dissociation in Thermodynamic Modeling of Ionic Liquids and Mixtures
Nazir Hossain, Chau-Chyun Chen
(262j) Computational Thermodynamic Analysis of a Solar Thermochemical Manganese Oxide - Manganese Sulfate Water Splitting Cycle
Rahul Bhosale, Parag N. Sutar, Fares Almomani, Dareen Dardor, Marc Rosen
(262z) Accurate and Efficient Thermodynamic Properties from Molecular Simulation By Combining Lammps and Gomc
J Richard Elliott, S. Mostafa Razavi, Marcel Balçik, M. Göktug Ahunbay
(262k) Equation of State Selection for Organic Rankine Cycle Modeling Under Uncertainty
Jerome Frutiger, John O'Connell, Jens Abildskov, Gurkan Sin
(262ar) Phase Equilibria Prediction for Systems Containing Lipids
Olivia Ana Perederic, Larissa P. Cunico, Bent Sarup, John Woodley, Rafiqul Gani
(262ay) Physico-Chemical Characterization of Fluorinated Ionic Liquids for Their Use As Blood Substitutes
Fèlix Llovell, Lourdes F. Vega, Manuel Piñeiro, Luís P. N. Rebelo, Ana B. Pereiro, João M. M. Araújo, Margarida Ferreira
(262n) From the PPR78 to the E-PPR78 and PR2SRK Models: 10 Years with the Development of Predictive Cubic EoS
Romain Privat, Jean-Noël Jaubert
(262au) Influence of Ionic Activity on the Osmotic Energy Generation in a Nanotube
Li-Hsien Yeh, Chun-Chieh Yu, Chia-Hsi Lo
(262as) Viscosity and Density of (CO2 + Synthetic Crude Oil) Mixtures at Temperatures from (298 to 423) K and at Pressures up to 100 Mpa
Claudio Calabrese, Geoffrey Maitland, Martin Trusler
(262ao) Experimental Phase Equilibria of Water-Hydrocarbon Systems
Xiangwei Liu
(262am) Prediction of Liquid Kinematic Viscosities Using the Eos + GE Mixing Rule with Eyring-Activity Coefficient Models
Katsumi Tochigi, Hiroyuki Matsuda, Kiyofumi Kurihara, Toshitaka Funazukuri, V.K. Rattan
(262b) Spray Cooling of Hot Steel Plate Using Water Based TiO2 Nanofluid
Samarshi Chakraborty, Surjya K. Pal, Sudipto Chakraborty
(262a) A Fundamental Understanding of Cation Transport in Mixed Metal Ferrite Spinels
Victoria J. Aston, Christopher L. Muhich, Ryan Trottier, Alan Weimer, Charles B. Musgrave
(262l) Designing an Extraterrestrial Submarine for Titan. II. Experimental Pressure-Density-Temperature-Composition Measurements of Nitrogen in Liquid Methane-Ethane Mixtures
Ian Richardson, Jacob Leachman, Jason Hartwig
(262ap) Empirical Fundamental Equations of State Correlations Based on Hybrid Datasets
Jadran Vrabec, Monika Thol, Andreas Köster, Gabor Rutkai, Rolf Lustig, Roland Span