Molecular and Data Science Modeling of Adsorption II | AIChE

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Molecular and Data Science Modeling of Adsorption 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 - 12:30pm to 3:00pm

Chair(s)

Gor, G., New Jersey Institute of Technology

Co-chair(s)

Emelianova, A., New Jersey Institute of Technology

This session focuses on the studies of adsorption in materials via molecular simulations and/or through data-science approaches.

Presentations

12:30 PM
(675a) Synergistic Effects in the Adsorption of Surfactant Mixtures Studied Via Molecular Simulations
12:50 PM
(675c) Quantification of Variations in Experimental and Molecular Simulation Data for CO2 Adsorption Isotherm By Hierarchical Bayesian Estimation.
1:10 PM
(675d) A Combined ML-Simulation Approach for the Assessments of the Thermodynamic Properties of Adsorption in MOFs and Cofs
1:30 PM
(675e) Generation and Characterization of Soft Porous Coordination Polymers for Gas Adsorption
1:50 PM
(582c) Temperature Extrapolation of Henry Law Constants: Expanding the Thermodynamic Space of Adsorbent Screening
2:10 PM
(582e) Comparison of Fluorine Functionalization Strategies in MOFs for the Removal of Poly- and Perfluoroalkyl Substances from Water
2:30 PM
(582f) Towards Process-Materials Co-Optimization: Automatic Generation of Optimizable MOF Structure-Function Relationships

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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