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Separating Binary Gaseous Mixtures of Ethene + Ethyne Using Cement Hydrate: A Multiscale Computational Study
1Department of Chemical Engineering, Mangosuthu University of Technology, Durban 4031, South Africa.
ACS Omega
|August 9, 2021
Summary
Investigating waste cement for gas separation, this study used simulations to assess its potential for separating ethene and ethyne mixtures via pressure swing adsorption. Results show promise for using cement hydrates in industrial gas separation processes.
Area of Science:
- Materials Science
- Chemical Engineering
- Environmental Science
Background:
- Cement production is a major source of greenhouse gas emissions.
- Exploring alternative uses for waste cement can mitigate its environmental impact.
- Cement hydrates show potential for adsorbing natural gas components.
Purpose of the Study:
- To assess the feasibility of using waste cement for separating ethene and ethyne mixtures.
- To investigate the application of pressure swing adsorption (PSA) for C2 hydrocarbon separation.
- To evaluate cement's potential as an adsorbent for industrial gas separations.
Main Methods:
- Employed a multiscale approach combining stochastic atomistic simulations and macroscale batch equilibrium modeling.
- Computed ethene recovery, product gas composition, and separation power.
- Analyzed intermolecular interactions and adsorption behavior using isotherm models.
Main Results:
- Determined optimal operating conditions for PSA, including temperature, pressure, and adsorbent mass.
- Quantified separation performance metrics for ethene and ethyne mixtures.
- Established relationships between intermolecular forces and adsorption characteristics.
Conclusions:
- Waste cement demonstrates potential as a cost-effective adsorbent for ethene and ethyne separation.
- The multiscale simulation approach provides valuable insights for adsorbent material selection.
- This study highlights a sustainable application for waste cement in the chemical industry.
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