671 Mesoscale Modeling Advances for Thermodynamics, Transport and Reaction


Description:
Mesoscale modeling recognizes the importance to investigate complex problems and phenomena that involve two or more temporal and spatial scales. This session welcomes studies that investigate linkers between scales and address advances of thermodynamics, transport, and reaction under this line.

Sponsor:
Thermodynamics and Transport Properties
Co-Sponsor(s):
Computational Molecular Science and Engineering Forum (21)


Chair:
Liangliang Huang
Assistant Professor
University of Oklahoma
Chemical, Biological and Materials Engineering
Box 7905 Centennial Campus, Engineering Building 1
Norman, OK
27695
Fax Number: 919-513-2470
Email: HLL@ou.edu

Co-Chair:
Shuangliang Zhao
Professor
East China University of Science and Technology
School of Chemical Engineering
Shanghai
Phone Number: +8618017091981
Email: szhao@ecust.edu.cn


Papers:
Thermodynamics of Two-Dimensional Systems
Keith E Gubbins, North Carolina State University
Trade-Off between CO2/CH4 Membrane Permeability and Selectivity: Mesoscale Insights from Molecular Simulation
Xiaohua Lu, College of Chemistry and Chemical Engineering,State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University
Isobaric Vapor-Liquid Equilibrium of Monoterpene + Sesquiterpene System at Normal Pressure
Guangyan Yao, Guangxi University; Linlin Wang, Guangxi University; Xiaopeng Chen, Guangxi University; Dankui Liao, Guangxi University; Xiaojie Wei, Guangxi University; Jiezhen Liang, Guangxi University; Zhangfa Tong, Guangxi University
Reaction Density Functional Theory and Its Application to Reactions in Aqueous Solution
Shuangliang Zhao, East China University of Science and Technology; Weiqiang Tang, East China University of Science and Technology; Cheng Cai, East China University of Science and Technology; Honglai Liu, East China University of Science and Technology
Curvature Dependence of Henry's Law Constant and Non-Ideality of Gas Equilibrium for Highly Curved Vapor-Liquid Interfaces
Xian Wang, Beijing university of chemical technology; Zhenjiang Guo, Beijing university of chemical technology; Xianren Zhang, Beijing university of chemical technology
Nanostructured Photoelectrodes for Enhanced Charge Carrier and Mass Transfer in Solar Water Spitting
Zhibin Luo, Tianjin University; Chengcheng Li, Tianjin University; He Li, Tianjin University; Tuo Wang, Tianjin University; Jinlong Gong, Tianjin University
Dynamic Interfacial Tension during Droplet/Bubble Generation at Microchannel Junctions - an Important Mesoscale Scientific Issue in Multiphase Microflow Study
Kai Wang, Tsinghua University; Antoine Riaud, Paris Sorbonne Cite Universite; Hao Zhang, Tsinghua University; Guangsheng Luo, Tsinghua University
Modeling of Interfacial Behaviors of Isobutane Alkylation with 2-Butene Catalyzed By Sulfuric Acid/Brønsted Acidic Ionic Liquid
Weizhong Zheng, East China University of Science and Technology; Piao Cao, East China University of Science and Technology; Weizhen Sun, East China University of Science and Technology; Ling Zhao, East China University of Science and Technology
Computational Modeling of Thermal Diffusion at the Mesoscale
Joel G. Christenson, University of California, Davis; Matthew P. Kroonblawd, Lawrence Livermore National Laboratory; Ronald J. Phillips, University of California, Davis
Translocation Energy Calculation on Human β Defensin Type 3 through Bacterial Lipid Membranes
Rabeta Yeasmin, Tennessee Technological University; Liqun Zhang, Tennessee Technological University
Abstract Submissions Closed
See more of this Group/Topical: Engineering Sciences and Fundamentals