Application of Density Functional Theory for Determining Pore-Size Distributions of Microporous Activated Carbons
We determined the pore-size distributions (PSDs) of 12 activated carbons (ACs) using a combination of density functional theory method from Kierlik and Rosinberg applied to slit-like pores and a regularization method. This combination of methods was applied to nitrogen adsorption isotherms at 77.35...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
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SAGE Publications
2014-01-01
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| Series: | Adsorption Science & Technology |
| Online Access: | https://doi.org/10.1260/0263-6174.32.1.23 |
| _version_ | 1797283712817168384 |
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| author | S. Figueroa-Gerstenmaier F. R. Siperstein A. Celzard V. Fierro |
| author_facet | S. Figueroa-Gerstenmaier F. R. Siperstein A. Celzard V. Fierro |
| author_sort | S. Figueroa-Gerstenmaier |
| collection | DOAJ |
| description | We determined the pore-size distributions (PSDs) of 12 activated carbons (ACs) using a combination of density functional theory method from Kierlik and Rosinberg applied to slit-like pores and a regularization method. This combination of methods was applied to nitrogen adsorption isotherms at 77.35 K on the selected ACs, prepared by heat treatment of lignin impregnated with orthophosphoric acid. The effect of three variables, namely, activation temperature, orthophosphoric acid/lignin weight ratio and time of impregnation, was discussed with respect to the resultant PSDs. |
| first_indexed | 2024-03-07T17:35:46Z |
| format | Article |
| id | doaj.art-2a1e1ca86471438ba3a7c95382f68c9b |
| institution | Directory Open Access Journal |
| issn | 0263-6174 2048-4038 |
| language | English |
| last_indexed | 2024-03-07T17:35:46Z |
| publishDate | 2014-01-01 |
| publisher | SAGE Publications |
| record_format | Article |
| series | Adsorption Science & Technology |
| spelling | doaj.art-2a1e1ca86471438ba3a7c95382f68c9b2024-03-02T16:48:47ZengSAGE PublicationsAdsorption Science & Technology0263-61742048-40382014-01-013210.1260/0263-6174.32.1.23Application of Density Functional Theory for Determining Pore-Size Distributions of Microporous Activated CarbonsS. Figueroa-Gerstenmaier0F. R. Siperstein1A. Celzard2V. Fierro3 División de Ciencias e Ingenierías, Campus León, Universidad de Guanajuato, Loma del Bosque 103, León (Guanajuato.) 37150, Mexico School of Chemical Engineering and Analytical Science, The University of Manchester, PO Box 88, Sackville Street, Manchester M60 1QD, United Kingdom Centre National de la Recherche Scientifique, Institut Jean Lamour, 27 rue Philippe Séguin, CS 60036, 88026 Epinal Cedex, France Centre National de la Recherche Scientifique, Institut Jean Lamour, 27 rue Philippe Séguin, CS 60036, 88026 Epinal Cedex, FranceWe determined the pore-size distributions (PSDs) of 12 activated carbons (ACs) using a combination of density functional theory method from Kierlik and Rosinberg applied to slit-like pores and a regularization method. This combination of methods was applied to nitrogen adsorption isotherms at 77.35 K on the selected ACs, prepared by heat treatment of lignin impregnated with orthophosphoric acid. The effect of three variables, namely, activation temperature, orthophosphoric acid/lignin weight ratio and time of impregnation, was discussed with respect to the resultant PSDs.https://doi.org/10.1260/0263-6174.32.1.23 |
| spellingShingle | S. Figueroa-Gerstenmaier F. R. Siperstein A. Celzard V. Fierro Application of Density Functional Theory for Determining Pore-Size Distributions of Microporous Activated Carbons Adsorption Science & Technology |
| title | Application of Density Functional Theory for Determining Pore-Size Distributions of Microporous Activated Carbons |
| title_full | Application of Density Functional Theory for Determining Pore-Size Distributions of Microporous Activated Carbons |
| title_fullStr | Application of Density Functional Theory for Determining Pore-Size Distributions of Microporous Activated Carbons |
| title_full_unstemmed | Application of Density Functional Theory for Determining Pore-Size Distributions of Microporous Activated Carbons |
| title_short | Application of Density Functional Theory for Determining Pore-Size Distributions of Microporous Activated Carbons |
| title_sort | application of density functional theory for determining pore size distributions of microporous activated carbons |
| url | https://doi.org/10.1260/0263-6174.32.1.23 |
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