Molecular Simulation of Adsorption II

  • Conference: AIChE Annual Meeting
  • Year: 2019
  • Proceeding: 2019 AIChE Annual Meeting
  • Group:
    Separations Division
  • Type:
    Oral
  • Room:
    Manatee Spring II
  • Location:
    Hyatt Regency Orlando
  • Time:
    Wednesday, November 13, 2019 - 3:30pm-6:00pm
Chair(s):
Gor, G., New Jersey Institute of Technology
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.

Papers:
3:30 PM
(592a) Nuclear Quantum Effects on Adsorption in Nanoporous Structures
3:48 PM
(592b) Toward Sustainable Metal-Organic Frameworks for Post-Combustion Carbon Capture – Identifying Improvement Opportunities By Molecular Simulation and Life Cycle Assessment
4:06 PM
(592c) DFT Study for Developing Novel and Specific B5-Type Step Site Scaling Relations and BEP Analysis for Stepped HCP Catalyst Surfaces
4:24 PM
(592d) Impact of H2O and CO2 on Methane Storage in Metal-Organic Frameworks
4:42 PM
(592e) Predictive Models of Azeotropic Adsorption from Molecular Simulations and Macroscopic Theories
5:00 PM
(592f) Density Functional Theory Study of Biomolecule Adsorption to Graphene and Modified Graphene: Molecular Insights into Biofilm Formation and Adhesion
5:18 PM
(592g) Understanding the Adsorption of 4th Generation Refrigerants on Metal-Organic Frameworks By Molecular Simulations
5:36 PM
(592h) Modeling the Adsorption of Isobutane/Butene on Hydrophobicity/Hydrophilicity Modified Solid Acid Surface
Topics: 
Adsorption

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Individuals

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