Molecular Simulations for Designing Adsorbents and Adsorption Processes II | AIChE

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Molecular Simulations for Designing Adsorbents and Adsorption Processes II

Conference

AIChE Annual Meeting

Year

2021

Proceeding

2021 Annual Meeting

Group

Separations Division

Type

Oral

Room

Separations Division (02)

Location

Virtual

Time

Monday, November 15, 2021 - 3:30pm to 6:00pm

Chair(s)

Neimark, A., Rutgers University

Co-chair(s)

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

3:30 PM
(684a) Collective Adsorption of Carbon Dioxide and Hydrocarbons Mixtures in Nanopores: A DFT Study
3:48 PM
(684b) Using Multi-Scale Simulations to Understand CO2 Solubility and Separation in Multivalent Ionic Liquids
4:06 PM
(684c) Liquid Phase Modeling for Removal of Contaminants of Emerging Concerns and Zeolite Catalysis
4:24 PM
(684d) Computational Study of the Effect of Amine-Functionalization on MOFs for Enhancing CO2 Capture
4:42 PM
(684e) How the Shape and Surface Energy of Nanopores Affects the Adsorption of Confined Fluids
5:00 PM
(684f) Role of Solvents in Drug Adsorption in Metal Organic Frameworks (MOFs)
5:18 PM
(684g) Monte Carlo Simulations to Understand Solvent Adsorption in MOF Uio-66
5:36 PM
(539e) Water Adsorption and Diffusion in Amino Acid Functionalized MOF Channels

Topics 

Adsorption

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Pricing

Individuals

AIChE Pro Members $150.00
AIChE Emeritus Members $105.00
AIChE Graduate Student Members Free
AIChE Undergraduate Student Members Free
AIChE Explorer Members $225.00
Non-Members $225.00

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