2019 AIChE Annual Meeting

Session: Mesoscale Modeling Advances for Thermodynamics, Transport and Reaction

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.

Chair

Shuangliang Zhao, East China University of Science and Technology

Co-Chair

Ning Yang, Institute of Process Engineering, Chinese Academy of Sciences

Presentations

03:30 PM

(590a) Bioinspired Construction and Performance Intensification of Photo-Enzyme Coupled Enzymatic System
Zhongyi Jiang, Jiafu Shi

03:45 PM

(590b) Mesoscale Simulation and Experimental Study on Supported Catalysts
Jianguo Wang

04:00 PM

(590c) Dynamic Adsorption of Ions into like-Charged Nanoslits
Leying Qing, Shuangliang Zhao

04:15 PM

(590d) Prediction of Thermal Conductivity of Silicon Nanowires on Basis of High Performance Computing
Chaofeng Hou

04:30 PM

(590e) A Structure-Based Drag Model for Coarse-Grid Euler–Lagrange Simulations
Yaxiong Yu, Qiang Zhou

04:45 PM

(590f) Reaction Density Functional Theory and Its Application to SN2 and Nucleophilic Addition Reactions in Aqueous Solution
Cheng Cai, Weiqiang Tang, Shuangliang Zhao, Honglai Liu

05:00 PM

(590g) Quantifying Confinement Effects on Fluid Transport Via Multi-Scale Simulations
Alberto Striolo, Anh Phan, Dian Fan, Maria Apostolopoulou, Sakiru Badmos, Tran Le

05:15 PM

(590h) Modeling Reaction-Diffusion in Combustion Processes Using Smoothed Dissipative Particle Dynamics
Nikolai D. Petsev, Brad Clements, Xia Ma, Bryan Henson

05:30 PM

(590i) Mesoscopic Models for Electro-Hydrodynamic Interactions of Polyelectrolytes
Shujun He, Ryan J. Montes, Jason Butler, Dmitry Kopelevich

05:45 PM

(590j) Internal and External Soot Oxidation
Georgios Kelesidis, Sotiris E. Pratsinis