Molecular design of novel carbon-based materials for CO2 capture by swing adsorption processes

Daniel Bahamon; Nour Alkhatib; Adetola E. Ogungbenro; Mohammad Abu Zahra; Maryam Khaleel; Lourdes F. Vega

Molecular design of novel carbon-based materials for CO₂ capture by swing adsorption processes

Daniel Bahamon, Nour Alkhatib, Adetola E. Ogungbenro, Mohammad Abu Zahra, Maryam Khaleel, Lourdes F. Vega

Chemical and Petroleum Engineering

Research output: Contribution to conference › Paper › peer-review

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.

Original language	British English
State	Published - 2021
Event	15th Greenhouse Gas Control Technologies Conference, GHGT 2021 - Virtual, Online, United Arab Emirates Duration: 15 Mar 2021 → 18 Mar 2021

Conference

Conference	15th Greenhouse Gas Control Technologies Conference, GHGT 2021
Country/Territory	United Arab Emirates
City	Virtual, Online
Period	15/03/21 → 18/03/21

Keywords

Activated Carbons
CO2 Adsorption
Hierarchical Zeolite Templated Carbons
Molecular Simulations
Swing Adsorption Processes

UN SDGs

This output contributes to the following UN Sustainable Development Goals (SDGs)

Cite this

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title = "Molecular design of novel carbon-based materials for CO2 capture by swing adsorption processes",

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 = "Activated Carbons, CO2 Adsorption, Hierarchical Zeolite Templated Carbons, Molecular Simulations, Swing Adsorption Processes",

author = "Daniel Bahamon and Nour Alkhatib and Ogungbenro, {Adetola E.} and {Abu Zahra}, Mohammad and Maryam Khaleel and Vega, {Lourdes F.}",

note = "Publisher Copyright: {\textcopyright} 2021 15th Greenhouse Gas Control Technologies Conference 2021, GHGT 2021. All Rights Reserved.; 15th Greenhouse Gas Control Technologies Conference, GHGT 2021 ; Conference date: 15-03-2021 Through 18-03-2021",

year = "2021",

language = "British English",

}

TY - CONF

T1 - Molecular design of novel carbon-based materials for CO2 capture by swing adsorption processes

AU - Bahamon, Daniel

AU - Alkhatib, Nour

AU - Ogungbenro, Adetola E.

AU - Abu Zahra, Mohammad

AU - Khaleel, Maryam

AU - Vega, Lourdes F.

PY - 2021

Y1 - 2021

N2 - 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.

AB - 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.

KW - Activated Carbons

KW - CO2 Adsorption

KW - Hierarchical Zeolite Templated Carbons

KW - Molecular Simulations

KW - Swing Adsorption Processes

UR - http://www.scopus.com/inward/record.url?scp=85181397238&partnerID=8YFLogxK

M3 - Paper

AN - SCOPUS:85181397238

T2 - 15th Greenhouse Gas Control Technologies Conference, GHGT 2021

Y2 - 15 March 2021 through 18 March 2021

ER -