Modelling of Ethane/Ethylene Separation Using Microporous
Grand Canonical Monte Carlo simulations of the adsorption of a mixture of ethane and ethylene on microporous slit graphite pores are reported. A two-centre Lennard-Jones with point quadrupole potential and a Steele potential with embedded quadrupoles for the carbon were used to model the fluids and...
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| Format: | Article |
| Language: | English |
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SAGE Publishing
2005-12-01
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| Series: | Adsorption Science & Technology |
| Online Access: | https://doi.org/10.1260/026361705777641972 |
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| author | Susana Curbelo Erich A. Müller |
| author_facet | Susana Curbelo Erich A. Müller |
| author_sort | Susana Curbelo |
| collection | DOAJ |
| description | Grand Canonical Monte Carlo simulations of the adsorption of a mixture of ethane and ethylene on microporous slit graphite pores are reported. A two-centre Lennard-Jones with point quadrupole potential and a Steele potential with embedded quadrupoles for the carbon were used to model the fluids and solids, respectively. Under conditions of moderate temperature (260–400 K) and pressure (0.1–1.0 MPa), ethane was preferentially adsorbed over ethylene for the pore widths studied. For micropores less than 2 nm wide, the selectivity towards ethane varied markedly with small changes in the pore structure, whilst for the mesopores with widths greater than 2 nm the selectivity was remarkably insensitive towards the pore size. The results provide qualitative guidelines for the synthesis and design of carbons for lower olefin/paraffin separations. |
| format | Article |
| id | doaj-art-0bc735285a1d4cbbadb606b1fa82a592 |
| institution | Kabale University |
| issn | 0263-6174 2048-4038 |
| language | English |
| publishDate | 2005-12-01 |
| publisher | SAGE Publishing |
| record_format | Article |
| series | Adsorption Science & Technology |
| spelling | doaj-art-0bc735285a1d4cbbadb606b1fa82a5922025-01-03T01:20:02ZengSAGE PublishingAdsorption Science & Technology0263-61742048-40382005-12-012310.1260/026361705777641972Modelling of Ethane/Ethylene Separation Using MicroporousSusana Curbelo0Erich A. Müller1 Departamento de Termodinámica y Fenómenos de Transferencia, Universidad Simón Bolívar, Caracas 1080, Venezuela Department of Chemical Engineering, Imperial College, London SW7 2AZ, UKGrand Canonical Monte Carlo simulations of the adsorption of a mixture of ethane and ethylene on microporous slit graphite pores are reported. A two-centre Lennard-Jones with point quadrupole potential and a Steele potential with embedded quadrupoles for the carbon were used to model the fluids and solids, respectively. Under conditions of moderate temperature (260–400 K) and pressure (0.1–1.0 MPa), ethane was preferentially adsorbed over ethylene for the pore widths studied. For micropores less than 2 nm wide, the selectivity towards ethane varied markedly with small changes in the pore structure, whilst for the mesopores with widths greater than 2 nm the selectivity was remarkably insensitive towards the pore size. The results provide qualitative guidelines for the synthesis and design of carbons for lower olefin/paraffin separations.https://doi.org/10.1260/026361705777641972 |
| spellingShingle | Susana Curbelo Erich A. Müller Modelling of Ethane/Ethylene Separation Using Microporous Adsorption Science & Technology |
| title | Modelling of Ethane/Ethylene Separation Using Microporous |
| title_full | Modelling of Ethane/Ethylene Separation Using Microporous |
| title_fullStr | Modelling of Ethane/Ethylene Separation Using Microporous |
| title_full_unstemmed | Modelling of Ethane/Ethylene Separation Using Microporous |
| title_short | Modelling of Ethane/Ethylene Separation Using Microporous |
| title_sort | modelling of ethane ethylene separation using microporous |
| url | https://doi.org/10.1260/026361705777641972 |
| work_keys_str_mv | AT susanacurbelo modellingofethaneethyleneseparationusingmicroporous AT erichamuller modellingofethaneethyleneseparationusingmicroporous |