2022 Annual Meeting

Session: Molecular and Data Science Modeling of Adsorption II

Chair

Ravikovitch, P., ExxonMobil Research and Engineering

Co-Chairs

Neimark, A., Rutgers University
Gor, G., New Jersey Institute of Technology

Presentations

08:00 AM

(610a) Selective Removal of Selenate from Selenate-Sulphate Water Solution By Adsorption on Dispersed Single Atoms on [012] Al2O3 Surface: An Ab-Initio Study

08:15 AM

(610b) Modeling the Interactions of Heavy Organic Aerosols with Water-Harvesting Metal-Organic Frameworks

08:30 AM

(610c) Predicting Adsorption of 1,4-Dioxane in All-Silica Zeolites Using Molecular Simulations

08:45 AM

(610d) Accelerating Solvent Selection for Type II Porous Liquids

09:15 AM

(610f) Quantitative Insights into the Influence of MOF Defects on Adsorption Properties

09:30 AM

(610g) A Molecular-Scale Study of Monazite Beneficiation through Computational and Spectroscopic Techniques

09:45 AM

(610h) Implementation of Genetic Algorithms to Optimize Metal-Organic Frameworks for CO2 Capture

10:00 AM

(610i) Prediction of Metal-Organic Interactions and Molecular Assembly in High Accuracy and Speed