Molecular Design of Novel Carbon-Based Materials for CO 2 Capture by Swing Adsorption Processes

8 Pages Posted: 9 Apr 2021

See all articles by Daniel Bahamon

Daniel Bahamon

Khalifa University - Research and Innovation Center on CO2 and hydrogen (RICH Center).

Nour Alkhatib

Khalifa University

Adetola E Ogungbenro

Khalifa University of Science and Technology - Department of Chemical Engineering

Mohammad Abu Zahra

Khalifa University

Maryam Khaleel

Khalifa University of Science and Technology

Lourdes F. Vega

Research and Innovation Center on CO2 and hydrogen (RICH Center). Khalifa University.

Date Written: April 7, 2021

Abstract

The possibility of fine-tuning structural features of carbon-based materials at the molecular scale, in combination with progress made on modelling realistic carbon-based structures, enables the development of predictive models for target applications. However, further knowledge is still needed regarding the effect of surface/topological characteristics on the behavior of the confined fluids for their optimization for final use. Hence, in this contribution, molecular simulations on carbonaceous materials are presented, from building the atomistic model to their process application for CO2 capture and separation from flue gases. The evaluation was done based on performance indicators such as working capacities and energy requirements in swing adsorption processes.

Keywords: CO2 Adsorption, Activated Carbons, Molecular Simulations, Hierarchical Zeolite Templated Carbons, Swing Adsorption Processes

Suggested Citation

Bahamon, Daniel and Alkhatib, Nour and Ogungbenro, Adetola E and Abu Zahra, Mohammad and Khaleel, Maryam and Vega, Lourdes F., Molecular Design of Novel Carbon-Based Materials for CO 2 Capture by Swing Adsorption Processes (April 7, 2021). Proceedings of the 15th Greenhouse Gas Control Technologies Conference 15-18 March 2021, Available at SSRN: https://ssrn.com/abstract=3821687 or http://dx.doi.org/10.2139/ssrn.3821687

Daniel Bahamon

Khalifa University - Research and Innovation Center on CO2 and hydrogen (RICH Center). ( email )

Abu Dhabi
United Arab Emirates

Nour Alkhatib

Khalifa University

Abu Dhabi
United Arab Emirates

Adetola E Ogungbenro

Khalifa University of Science and Technology - Department of Chemical Engineering ( email )

Abu Dhabi
United Arab Emirates

Mohammad Abu Zahra

Khalifa University ( email )

Abu Dhabi
United Arab Emirates

Maryam Khaleel

Khalifa University of Science and Technology ( email )

Abu Dhabi
United Arab Emirates

Lourdes F. Vega (Contact Author)

Research and Innovation Center on CO2 and hydrogen (RICH Center). Khalifa University. ( email )

Abu Dhabi
United Arab Emirates

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