Molecular and Data Science Modeling of Adsorption II

Conference

AIChE Annual Meeting

Year

2022

Proceeding

2022 Annual Meeting

Group

Separations Division

Type

Oral

Room

N-131C

Location

Phoenix Convention Center

Time

Thursday, November 17, 2022 - 8:00am to 10:30am

Chair(s)

Ravikovitch, P., ExxonMobil Research and Engineering

Co-chair(s)

Neimark, A., Rutgers University

Gor, G., New Jersey Institute of Technology

Presentations

8:00 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

8:15 AM

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

8:30 AM

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

8:45 AM

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

9:00 AM

Break

9:15 AM

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

9:30 AM

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

9:45 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

Topics

Checkout

Paper abstracts are public but to access Extended Abstracts, you must first purchase the conference proceedings.

Do you already own this?

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