Aggregation study of asphaltenes from colombian Castilla crude oil using molecular simulation
A molecular simulation model to study the mechanism for asphaltene aggregation is presented. Four species were selected, obtained from structural analysis of asphaltenes from the oil extracted from Castilla oil field, in Colombia. Energetic contributions to the aggregation process for each species...
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| Format: | Article |
| Language: | English |
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Universidad de Antioquia
2015-12-01
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| Series: | Revista Facultad de Ingeniería Universidad de Antioquia |
| Subjects: | |
| Online Access: | https://revistas.udea.edu.co/index.php/ingenieria/article/view/20255 |
| _version_ | 1797861776464805888 |
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| author | Jennifer De León-Barreneche Bibian Alonso Hoyos-Madrigal Wilson Antonio Cañas-Marín |
| author_facet | Jennifer De León-Barreneche Bibian Alonso Hoyos-Madrigal Wilson Antonio Cañas-Marín |
| author_sort | Jennifer De León-Barreneche |
| collection | DOAJ |
| description |
A molecular simulation model to study the mechanism for asphaltene aggregation is presented. Four species were selected, obtained from structural analysis of asphaltenes from the oil extracted from Castilla oil field, in Colombia. Energetic contributions to the aggregation process for each species were studied, and the solubility parameter was evaluated. Finally, the aggregation process between different species was studied in order to determine the tendency of the molecules towards self-association. Results show that for all species, aggregation state is energetically favorable; also, both Van der Waals interactions and electrostatic forces contribute equally to the aggregation process. It was also found that the molecular structure of the substances has a big influence on the manner in which asphaltenes aggregate. For continental structures, long ramifications cause a physical obstacle for aggregation. On the other hand, the molecular flexibility associated with archipelago structures enables the aggregation with other species, but somehow hinders the process of self-association. The solubility parameter for all four substances was within the range established by literature.
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| first_indexed | 2024-04-09T22:09:51Z |
| format | Article |
| id | doaj.art-a96c592360844ae3849a0b06d7597b25 |
| institution | Directory Open Access Journal |
| issn | 0120-6230 2422-2844 |
| language | English |
| last_indexed | 2024-04-09T22:09:51Z |
| publishDate | 2015-12-01 |
| publisher | Universidad de Antioquia |
| record_format | Article |
| series | Revista Facultad de Ingeniería Universidad de Antioquia |
| spelling | doaj.art-a96c592360844ae3849a0b06d7597b252023-03-23T12:30:48ZengUniversidad de AntioquiaRevista Facultad de Ingeniería Universidad de Antioquia0120-62302422-28442015-12-017710.17533/udea.redin.n77a04Aggregation study of asphaltenes from colombian Castilla crude oil using molecular simulationJennifer De León-Barreneche0Bibian Alonso Hoyos-Madrigal1Wilson Antonio Cañas-Marín2National University of ColombiaNational University of ColombiaECOPETROL S.A A molecular simulation model to study the mechanism for asphaltene aggregation is presented. Four species were selected, obtained from structural analysis of asphaltenes from the oil extracted from Castilla oil field, in Colombia. Energetic contributions to the aggregation process for each species were studied, and the solubility parameter was evaluated. Finally, the aggregation process between different species was studied in order to determine the tendency of the molecules towards self-association. Results show that for all species, aggregation state is energetically favorable; also, both Van der Waals interactions and electrostatic forces contribute equally to the aggregation process. It was also found that the molecular structure of the substances has a big influence on the manner in which asphaltenes aggregate. For continental structures, long ramifications cause a physical obstacle for aggregation. On the other hand, the molecular flexibility associated with archipelago structures enables the aggregation with other species, but somehow hinders the process of self-association. The solubility parameter for all four substances was within the range established by literature. https://revistas.udea.edu.co/index.php/ingenieria/article/view/20255molecular simulationaggregation energiessolubility parameterasphaltene |
| spellingShingle | Jennifer De León-Barreneche Bibian Alonso Hoyos-Madrigal Wilson Antonio Cañas-Marín Aggregation study of asphaltenes from colombian Castilla crude oil using molecular simulation Revista Facultad de Ingeniería Universidad de Antioquia molecular simulation aggregation energies solubility parameter asphaltene |
| title | Aggregation study of asphaltenes from colombian Castilla crude oil using molecular simulation |
| title_full | Aggregation study of asphaltenes from colombian Castilla crude oil using molecular simulation |
| title_fullStr | Aggregation study of asphaltenes from colombian Castilla crude oil using molecular simulation |
| title_full_unstemmed | Aggregation study of asphaltenes from colombian Castilla crude oil using molecular simulation |
| title_short | Aggregation study of asphaltenes from colombian Castilla crude oil using molecular simulation |
| title_sort | aggregation study of asphaltenes from colombian castilla crude oil using molecular simulation |
| topic | molecular simulation aggregation energies solubility parameter asphaltene |
| url | https://revistas.udea.edu.co/index.php/ingenieria/article/view/20255 |
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