Effects of Graphene Layer Size on the Adsorption of Fluids on Graphitized Thermal Carbon Black. A Computer Simulation Study
The adsorption of Lennard-Jones fluids (argon and nitrogen) onto a graphitized thermal carbon black surface was studied with a Grand Canonical Monte Carlo Simulation (GCMC). The surface was assumed to be finite in length and composed of three graphene layers. When the GCMC simulation was used to des...
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| Format: | Article |
| Language: | English |
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SAGE Publications
2006-04-01
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| Series: | Adsorption Science & Technology |
| Online Access: | https://doi.org/10.1260/026361706778812835 |
| _version_ | 1797283723861819392 |
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| author | P. Luangkiattikhun A. Wongkoblap D.D. Do |
| author_facet | P. Luangkiattikhun A. Wongkoblap D.D. Do |
| author_sort | P. Luangkiattikhun |
| collection | DOAJ |
| description | The adsorption of Lennard-Jones fluids (argon and nitrogen) onto a graphitized thermal carbon black surface was studied with a Grand Canonical Monte Carlo Simulation (GCMC). The surface was assumed to be finite in length and composed of three graphene layers. When the GCMC simulation was used to describe adsorption on a graphite surface, an over-prediction of the isotherm was consistently observed in the pressure regions where the first and second layers are formed. To remove this over-prediction, surface mediation was accounted for to reduce the fluid–fluid interaction. Do and co-workers have introduced the so-called surface-mediation damping factor to correct the over-prediction for the case of a graphite surface of infinite extent, and this approach has yielded a good description of the adsorption isotherm. In this paper, the effects of the finite size of the graphene layer on the adsorption isotherm and how these would affect the extent of the surface mediation were studied. It was found that this finite-surface model provides a better description of the experimental data for graphitized thermal carbon black of high surface area (i.e. small crystallite size) while the infinite-surface model describes data for carbon black of very low surface area (i.e. large crystallite size). |
| first_indexed | 2024-03-07T17:35:56Z |
| format | Article |
| id | doaj.art-5c3d56a985a841a285ab7f15053d1b47 |
| institution | Directory Open Access Journal |
| issn | 0263-6174 2048-4038 |
| language | English |
| last_indexed | 2024-03-07T17:35:56Z |
| publishDate | 2006-04-01 |
| publisher | SAGE Publications |
| record_format | Article |
| series | Adsorption Science & Technology |
| spelling | doaj.art-5c3d56a985a841a285ab7f15053d1b472024-03-02T16:52:36ZengSAGE PublicationsAdsorption Science & Technology0263-61742048-40382006-04-012410.1260/026361706778812835Effects of Graphene Layer Size on the Adsorption of Fluids on Graphitized Thermal Carbon Black. A Computer Simulation StudyP. Luangkiattikhun0A. Wongkoblap1D.D. Do2 School of Chemical Engineering, Suranaree University of Technology, Nakhon Ratchasima 30000, Thailand Department of Chemical Engineering, University of Queensland, St. Lucia, Brisbane, QLD 4072, Australia Department of Chemical Engineering, University of Queensland, St. Lucia, Brisbane, QLD 4072, AustraliaThe adsorption of Lennard-Jones fluids (argon and nitrogen) onto a graphitized thermal carbon black surface was studied with a Grand Canonical Monte Carlo Simulation (GCMC). The surface was assumed to be finite in length and composed of three graphene layers. When the GCMC simulation was used to describe adsorption on a graphite surface, an over-prediction of the isotherm was consistently observed in the pressure regions where the first and second layers are formed. To remove this over-prediction, surface mediation was accounted for to reduce the fluid–fluid interaction. Do and co-workers have introduced the so-called surface-mediation damping factor to correct the over-prediction for the case of a graphite surface of infinite extent, and this approach has yielded a good description of the adsorption isotherm. In this paper, the effects of the finite size of the graphene layer on the adsorption isotherm and how these would affect the extent of the surface mediation were studied. It was found that this finite-surface model provides a better description of the experimental data for graphitized thermal carbon black of high surface area (i.e. small crystallite size) while the infinite-surface model describes data for carbon black of very low surface area (i.e. large crystallite size).https://doi.org/10.1260/026361706778812835 |
| spellingShingle | P. Luangkiattikhun A. Wongkoblap D.D. Do Effects of Graphene Layer Size on the Adsorption of Fluids on Graphitized Thermal Carbon Black. A Computer Simulation Study Adsorption Science & Technology |
| title | Effects of Graphene Layer Size on the Adsorption of Fluids on Graphitized Thermal Carbon Black. A Computer Simulation Study |
| title_full | Effects of Graphene Layer Size on the Adsorption of Fluids on Graphitized Thermal Carbon Black. A Computer Simulation Study |
| title_fullStr | Effects of Graphene Layer Size on the Adsorption of Fluids on Graphitized Thermal Carbon Black. A Computer Simulation Study |
| title_full_unstemmed | Effects of Graphene Layer Size on the Adsorption of Fluids on Graphitized Thermal Carbon Black. A Computer Simulation Study |
| title_short | Effects of Graphene Layer Size on the Adsorption of Fluids on Graphitized Thermal Carbon Black. A Computer Simulation Study |
| title_sort | effects of graphene layer size on the adsorption of fluids on graphitized thermal carbon black a computer simulation study |
| url | https://doi.org/10.1260/026361706778812835 |
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