Thermodynamics and Transport Properties (Posters)

Co-chair(s):
Trout, B. L., Massachusetts Institute of Technology

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.

Papers:
6:30 PM
(321ai) Multiplicity of Correlation Functions in Fluids
6:30 PM
(321f) Using Voronoi Tessellations to Measure Coexisting Densities for Molecular Dynamics Simulations
6:30 PM
(321h) Gas Solubility, Diffusivity, and Surface Tensions in Phosphonium-, and Ammonium-Based Room Temperature Ionic Liquids
6:30 PM
(321l) Prediction of N2 and Co2 Gas Hydrate Equilibria
6:30 PM
(321be) Estimation of Critical Points from the Virial Equation of State
6:30 PM
(321aw) Phase Equilibria for Bio-Derived Chemicals
6:30 PM
(321aa) Estimating Molecular Mobility in Amorphous Organic Pharmaceutical Compounds
6:30 PM
(321a) An Extended Ceos/ Ae Zero-Pressure Mixing Rule and Its Application to Phase Equilibrium Calculation
6:30 PM
(321d) Phase Behavior of Ionic Fluids in Disordered Charged Media
6:30 PM
(321g) Computing Thermophysical Properties of Aromatic Compounds: Comparison of Theory and Experiment
6:30 PM
(321ae) Monte Carlo Simulation of Fluid Systems at Fixed Entropy
6:30 PM
(321am) Vapor-Liquid-Liquid Equilibria and Lower Critical Solution Temperatures of Hydrofluorocarbons in Room-Temperature Ionic Liquids
6:30 PM
(321t) Chemicals Regulation and the Integration of Process Safety with Molecular Modeling
6:30 PM
(321y) Liquid Densities of Hexane + Benzothiophene Mixtures from 313 to 363 K and up to 25 Mpa
6:30 PM
(321bf) Gravitational Stability of Suspensions with a Depletion Attraction
6:30 PM
(321c) Hydrogen Storage by Adsorption Onto Different Activated Carbons
6:30 PM
(321ao) Critical Point Calculation of Lennard Jones Pure Fluid and Binary Mixtures
6:30 PM
(321ay) Atomic-Scale Analysis of Silicon Hydride Dissociation on Surfaces of Plasma-Deposited Amorphous Silicon Thin Films
6:30 PM
(321n) Basic Study of Hydrogen Storage in Thf/H2 Clathrate Hydrate
6:30 PM
(321au) Statistical Associating Fluid Theory Coupled with Restricted Primitive Model to Represent Brine/Seawater up to High Temperatures and Pressures
6:30 PM
(321u) On Solubility Extrema in Solid-Fluid Equilibrium and the Effect on Thermodynamic Modeling
6:30 PM
(321av) Model for Solubility and Solid Phase Composition in High-Temperature Na2Co3-Na2So4 Solutions
6:30 PM
(321ah) Recent Advances with the Cubic – Plus – Association Equation of State
6:30 PM
(321al) Phase Behavior of Ionic Fluids in Charged Disordered Media
6:30 PM
(321o) Nanocomposite Materials for High Capacity Hydrogen Storage
6:30 PM
(321k) Coarse-Graining and Soft Matter Systems: Bridging the Atomistic-Meso Scales
6:30 PM
(321p) Generalization of a Viscosity Model for Liquid Mixtures Using an Artificial Neural Network
6:30 PM
(321bd) Reliable Computation of Density Roots, Phase Stability and Phase Equilibrium Using Saft Equation of State
6:30 PM
(321az) Predicting the Lennard Jones Melting Point, Infinite Size and Full Potential
6:30 PM
(321af) Solubility of Methane in Binary Mixed Solvents (Ethanol+Hexane Andethanol+Cyclohexane)at High Pressures
6:30 PM
(321b) Chemical Force Microscopy and Ab Initio Calculations: a Molecular Approach for the Design of Surfactants for Pressurized Metered-Dose Inhalers
6:30 PM
(321e) Describing the Global Thermodynamic Properties of Chain Fluids Using a Crossover Perturbed-Chain Statistical Associating Fluid Theory
6:30 PM
(321bb) Equation of State for Lennard-Jones Fluid and Chains in the Npt Ensemble
6:30 PM
(321as) Measurement and Correlation of Partition Coefficients of Sulfur Compounds for Acetonitrile + N-Alkane Systems
6:30 PM
(321ba) Melting Transition in Repulsive Lennard Jones Crystals
6:30 PM
(321w) Equilibrium Properties from the Crossover Triangular Well Equation of State
6:30 PM
(321ab) Temperature and Pressure Effects on Hydrogen Bonds of Supercritical Water Confined in Carbon Nanotube---a Molecular Dynamics Study
6:30 PM
(321aj) Applications of the Simplified Perturbed-Chain Saft Equation of State
6:30 PM
(321an) Modeling of Aqueous Amino Acid and Polypeptide Solutions with Pc-Saft
6:30 PM
(321i) Computer-Aid Simulation of Gas Solubility and Diffusivity in Room Temperature Ionic Liquids – Initial Progress Report for Computer Aided Design of R T I L-Based Separating Agents
6:30 PM
(321ar) A Conformal Equation of State for Carbon Tetrafluoride and Neopentane from Molecular Simulation
6:30 PM
(321q) Prediction of Global Warming Potentials through Computational Chemistry – Testing Robustness of Methodology through Experimental Comparisons
6:30 PM
(321ax) Equation of State Modeling of Polarizable Dipolar and Quadrupolar Mixtures
6:30 PM
(321z) Simulation of the Frictional Response of Nanoconfined Films
6:30 PM
(321ag) Liquid-Vapor Isotopic Fractionation Factors of Diatomic Fluids. Simulation, Modelling and Comaprison with Experiment
6:30 PM
(321ak) Revisiting Scaled Particle Theory of the Binary Hard Sphere Fluid
6:30 PM
(321aq) Ab Initio Monte Carlo Simulations of Fluid Phase Equilibria at Extreme Conditions
6:30 PM
(321bc) Volume-Explicit Equation of State for Square-Well Monomers and Chains
6:30 PM
(321at) Understanding the Phase Behavior of Aqueous Hydrogen Fluoride Mixture by Incorporating Self and Cross Association Patterns
6:30 PM
(321s) Effect of Torsional Potential on the Phase Behavior of Organic Compounds

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Pricing

Individuals

AIChE Members $150.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
Non-Members $225.00