Insights into the Adsorption of Carbon Dioxide in Zeolites ITQ-29 and 5A Based on Kinetic Measurements and Molecular Simulations

Insights into the Adsorption of Carbon Dioxide in Zeolites ITQ-29 and 5A Based on Kinetic Measurements and Molecular Simulations

Understanding the adsorption mechanism is essential for developing efficient technologies to capture carbon dioxide from industrial flue gases. In this work, laboratory measurements, density functional theory calculations, and molecular dynamics simulations were employed to study CO<sub>2</...

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Bibliographic Details
Main Authors: Magdy Abdelghany Elsayed, Shixue Zhou, Xiaohui Zhao, Gumawa Windu Manggada, Zhongyuan Chen, Fang Wang, Zhijuan Tang
Format: Article
Language:English
Published: MDPI AG 2025-07-01
Series:Nanomaterials
Subjects:
adsorption kinetics
LTA zeolite
molecular simulation
isosteric heat
adsorption energy
Online Access:https://www.mdpi.com/2079-4991/15/14/1077
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