2017 Annual Meeting

Session: Molecular Simulation of Adsorption I - In Honor of Keith Gubbins' 80th Birthday III (Invited Talks)

This session in honor of Keith Gubbins’ 80th birthday presents in the form of invited talks the most recent advances in the molecular simulations of adsorbents, adsorption phenomena, molecular recognition, adsorption properties and parameters, and mass transfer kinetics and properties.

Chair

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

Co-Chair

Gennady Gor, New Jersey Institute of Technology

Presentations

03:15 PM

(614a) Understanding the Removal of Pharmaceuticals from Water Effluents By Adsorption in Activated Carbons – a Molecular Simulation Approach
Lourdes F. Vega, Daniel Bahamon

03:35 PM

(614b) Insights into the Adsorption and Phase Behaviour of Fluids in Nanoporous Materials with Hierarchical Pore Structure: Towards an Advanced Textural Characterization
Matthias Thommes

03:55 PM

(614c) Molecular Studies of Supercapacitors: Ionic Liquids Adsorbed into Porous Carbon Electrodes
Peter Cummings

04:15 PM

(614d) Structure of Ice in Confinement; Water in Mesopores
Malgorzata Sliwinska-Bartkowiak

04:35 PM

(614e) Towards Understanding the Role of Microstructure in Energetic Material Response: Coarse-Grain Modeling and Simulation
John K. Brennan

05:15 PM

(614g) Adsorption and Transport in Multiscale Porous Media
Benoit Coasne