2023 AIChE Annual Meeting

Session: Molecular Simulations for Designing Adsorbents and Adsorption Processes II

Chair

Peter Ravikovitch, ExxonMobil Research and Engineering

Co-Chair

Alexander Neimark, Rutgers University

Presentations

03:44 PM

(617b) Modeling of Hybridized 3D Printed Modules with Low Pressure Drop Fiber Sorbents for Direct Air Capture
Ryan P. Lively, Cai Xuqing, David Sholl, Matthew Realff, Yuxiang Wang, Joao Marreiros

03:58 PM

(617c) Performance Analysis of Metal-Organic Frameworks (MOFs) for CO2 Capture By Smart Connectionist Models Using Combined Structural and Thermal Descriptors
Abbas Azarpour, Sohrab Zendehboudi

04:12 PM

(617d) Multi-Scale Dynamic Modeling, and Techno-Economic Optimization of a Radial Flow Fixed Bed Contactor for Post-Combustion CO2 Capture
Ana Flavia Monteiro, Debangsu Bhattacharyya

04:26 PM

(617e) A Cluster Based Cooperative Kinetic Model for CO2 Adsorption on Amine Functionalized Metal Organic Frameworks
Bennett Marshall

04:40 PM

(617f) Simplified Models for Rapid Evaluation of Adsorption Processes for CO2 Capture from Flue Gas and Ambient Air
Bhubesh Murugappan Balasubramaniam, Gwyneth Liske, Arvind Rajendran

04:54 PM

(617g) Modelling and Optimization of Layered Bed Adsorbers for Post-Combustion CO2 Capture
Adam Ward, Ronny Pini

05:08 PM

(617h) An Integrated Modeling Framework for Screening CO2 Capture Materials
Yogesh V. Joshi, Ashish B. Mhadeshwar, Jayashree Kalyanaraman, Anantha Sundaram, Joseph Falkowski, Jonathan Szlachta, Rodrigo Neumann, Binquan Luan, Ricardo Luis Ohta, Felipe Lopes Oliveira, Mathias Steiner

05:22 PM

(617i) Molecular Insights into the Adsorption and Diffusion Behavior of Hybrid GO/MOF Adsorbents for CO2 Capture: Systematic Study for GO/CuBTC and GO/UTSA-16 Structures
Hongyu Zhao, Daniel Bahamon, Maryam Khaleel, Lourdes Vega

05:36 PM

(617j) Computational Quantification of Variation in CO2 Adsorption on Aluminum Substituted Zeolite Frameworks
Akhilesh Gandhi, Silabrata Pahari, Joseph Kwon, Faruque Hasan