Molecular Simulation of Adsorption I | AIChE

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Molecular Simulation of Adsorption I

Chair(s)

Neimark, A. V., Rutgers, The State University of New Jersey

Co-chair(s)

Gor, G., Rutgers, The State University of New Jersey

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

8:30 AM
(305a) On Adsorption Hysteresis in Closed-End Pores: Isotherm Reconstruction and Free Energy Analysis Via Flat-Histogram Monte Carlo Simulation
8:50 AM
(305b) Multi-Component Gas Separation of Sour Natural Gas Mixtures Using All-Silica Zeolites
9:10 AM
(305c) Application of Classical DFT for Screening of MOFs for CO2 Capture
9:30 AM
(305d) Insights into the Coordination Polymer Ligand Deformation upon CO2 Adsorption through Grand Canonical Monte Carlo Simulations
9:50 AM
(305e) Understanding Gas Adsorption in MOF-5/Graphene Oxide Composite Materials: A Computational Study
10:10 AM
(305f) Computational Study of the Adsorption Properties of M(bdc)(ted)0.5 (M = Ni, Zn)

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Pricing

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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