Molecular Simulation of Adsorption Separation of CO2 from Combustion Exhaust Mixture of Commercial Zeolites-Reference-Cited by-同舟云学术

Molecular Simulation of Adsorption Separation of CO2 from Combustion Exhaust Mixture of Commercial Zeolites

Published:2023-10-16 Issue:10 Volume:11 Page:2987
ISSN:2227-9717
Container-title:Processes
language:en
Short-container-title:Processes

Author:

Wang Yutong¹,Jiang Xu²,Yang Xiong³^ORCID,Wang Shiqing¹,Qiu Xiaolong¹,Liu Lianbo⁴,Gao Shiwang⁵,Li Ziyi³,Zhang Chuanzhao⁶

Affiliation:

1. Huaneng Clean Energy Research Institute, Beijing 102209, China

2. Xinjiang Petroleum Engineering Co., Ltd., Karamay 834000, China

3. School of Energy and Environmental Engineering, University of Science and Technology Beijing, Beijing 100083, China

4. Beijing Key Laboratory of CO₂ Capture and Process, Beijing 100084, China

5. National Key Laboratory of High-Efficiency Flexible Coal Power Generation and Carbon Capture Utilization and Storage, Beijing 102209, China

6. College of Biochemical Engineering, Beijing United University, Beijing 100083, China

Abstract

The adsorption thermodynamics and kinetics of CO2 and six combustion products (H2O, SO2, N2, O2, NO and NO2) of two most commonly used commercial zeolites (13X and 5A) were studied based on validated molecular simulations. Adsorption isotherms at wide range of temperatures (253–333 K) were fitted by a Langmuir model, obtaining equilibrium parameters including the adsorption capacity, strength, heterogeneity and CO2 selectivity from the mixture. The diffusion coefficients, isosteric adsorption heats and distributions of potential energy were simulated for further explanation. The comprehensive evaluation results suggest that, in actual combustion product mixtures, the presence of H2O in combustion products has a significant impact on CO2 capture efficiency. Under the influence of water, the adsorption capacity of CO2 was reduced by over 80%.

Funder

Fundamental Research Funds for the Central Universities

CHINA HUANENG GROUP

Academic Research Projects of Beijing Union University

Publisher

MDPI AG

Subject

Process Chemistry and Technology,Chemical Engineering (miscellaneous),Bioengineering

Link

https://www.mdpi.com/2227-9717/11/10/2987/pdf

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