Molecular Simulation of Adsorption II | AIChE

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Molecular Simulation of Adsorption II

Chair(s)

Co-chair(s)

Siperstein, F. R., University of Manchester

This session presents the most recent advances in the molecular simulations of adsorbents, adsorption phenomena, molecular recognition, adsorption properties and parameters, and mass transfer kinetics and properties.

Presentations

12:30 PM
(510a) Crucial Role of Blocking Inaccessible Cages in the Simulation of Gas Adsorption in a Paddle-Wheel Metal-Organic Framework
12:49 PM
(510b) Elasticity of Simple Fluids Confined in Nanopores
1:08 PM
(510c) Modeling and Visualization of Elastic Layer-Structured Metal-Organic Framework-11 Encapsulating CO2: Toward a Better Understanding of Gate Adsorption Behavior
1:27 PM
(510d) Modeling Diffusion of Linear Hydrocarbons in Pure Silica Zeolite LTA Using Transition Path Sampling
1:46 PM
(510e) Computational Screening of Porous Coordination Networks for Adsorption and Membrane-Based Gas Separations
2:05 PM
(510f) Using Computational Modeling to Identify Functionalization Strategies for Selective Contaminant Removal from Ambient Air with Uio-66
2:24 PM
(510g) Understanding the Unusual Adsorption Behavior in Hierarchical Zeolite Nanosheets
2:43 PM
(510h) Force Field Development for Gas Adsorption in the M-MOF-74 Series Based on First Principles Calculations

Topics 

Adsorption
Materials

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Individuals

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

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