| A Modified DSMC Algorithm and Application
Chao Liu, Santosh Ansumali and Sang Kyu Kwak |
| A Molecular Perspective for Energy, Environmental and Pharmaceutical Applications in Nanoporous Materials: From Metal-organic Frameworks to Protein Crystals
Jianwen Jiang |
| Adsorption and Separation of CO2/H2 in Mono-, Di- and Trivalent Cation-Exchanged Zeolite-like Metal-organic Frameworks: Atomistic Simulation Study
Yifei Chen, Anjaiah Nalaparaju and Jianwen Jiang |
| Advancing the Science of Clathrate Hydrates with Molecular Simulations
Amadeu K. Sum |
| Alternative Approach to Entropy Calculation via Molecular Simulation
Wahyu Perdana Yudistiawan and Sang Kyu Kwak |
| Binary Phase Behavior of Tetrahydrofurfuryl Acrylate, Tetrahydrofurfuryl Methacrylate and Supercritical Carbon Dioxide
Jung Min Kwon, Dong Woo Cho, Won Bae and Hwayong Kim |
| Commercial Process Development of Supercritical CO2-based Dry Cleaner for 300mm Nanopattern Wafer
Ki-Pung Yoo |
| Computational Design of Metal-organic Frameworks for CO2 Capture
Chongli Zhong |
| Computer Simulation of the Adsorption and Separation of CO2/CH4 and CO2/N2 in C60 impregnated COF-108
Yujun Zhu, Jianhai Zhou, Jun Hu, Honglai Liu and Ying Hu |
| Drug Loading and Release by a pH-Sensitive Amphiphilic Diblock Polymer: From Fully Atomistic to Coarse-grained Simulations
Zhonglin Luo and Jianwen Jiang |
| Effects of Functional Group and Residual Solvent on Membrane Structure and Gas Permeation in a Polymer of Intrinsic Microporosity: Insights from Atomistic Simulations
Weijie Fang, Liling Zhang and Jianwen Jiang |
| Effects of Particle Shape and Matrix Polymer on Self-assembled Morphology of Polymer-grafted Nanoparticles
Lin Yung-Lung, Sheng Yu-Jane and Tsao Heng-Kwong |
| Explicit Inclusion of Molecular Conformations in Phase Equilibrium Prediction from the PR+COSMOSAC Equation of State
Chan-Chia Hsu and Shiang-Tai Lin |
| Liquid-liquid Equilibria for Water + (N-Methyl-2-Pyrrolidone, Dimethyl Sulfoxide) + (Methyl Methacrylate, Butyl Methacrylate)
Jui-Tang Chen, Wen-Lu Weng, Shin-Wei Ho and Yu-Ching Chien |
| Molecular Mechanism of Solvent-responsive Mixed Polymer Brushes
Honglai Liu, Yunli Xu, Xueqian Chen and Xia Han |
| Molecular Simulation Studies of Separation of CH4/H2 Mixture in Metal-organic Frameworks with Interpenetration and Mixed-ligand
Bei Liu, Changyu Sun and Guangjin Chen |
| New Thermochemical Software: CaTCalc
Kazuhisa Shobu |
| Ternary Liquid-liquid Equilibria Measurement for Propanol and Propyl Acetate with the Ionic Liquid 1-Alkyl-3-methylimidazolium Chloride at T= (298.15, 303.15, and 318.15) K
Jung-Chin Tsai and Tong-Yan Lin |
| Unveiling Thermodynamic Driving Forces at the Nanoscale
Shiang-Tai Lin |
| Vapor Pressures and Phase Equilibrium for Mixtures Containing Water, Acetonitrile and Ionic Liquid
Kexia Chen, Yeling Zheng, Changchun He, Changjun Peng and Honglai Liu |
| Zeolite-like Metal–organic Framework for Water Purification through Ion Exchange: A Molecular Dynamics Simulation Study
Anjaiah Nalaparaju and Jianwen Jiang |
