Characterization of Asphaltene Using Potential Energy and Nanocalculation
The basics of quantum mechanics and statistical thermodynamics were used to predict the potential energy and intermolecular forces of asphaltene molecules. The parameters associated with the chemical structure were also estimated for a specific asphaltene molecule to predict the Mie potential functi...
| Main Authors: | , , , , |
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| Format: | Article |
| Language: | English |
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Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR
2008-06-01
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| Series: | Iranian Journal of Chemistry & Chemical Engineering |
| Subjects: | |
| Online Access: | http://www.ijcce.ac.ir/article_6997_19508f21766be9825e5ce2889ac8a2d2.pdf |
| _version_ | 1828774477484261376 |
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| author | Samad Sabbaghi Abdolhossein Jahanmiri Shahaboddin Ayatollahi Mojtaba Shariaty Niassar Gholam Ali Mansoori |
| author_facet | Samad Sabbaghi Abdolhossein Jahanmiri Shahaboddin Ayatollahi Mojtaba Shariaty Niassar Gholam Ali Mansoori |
| author_sort | Samad Sabbaghi |
| collection | DOAJ |
| description | The basics of quantum mechanics and statistical thermodynamics were used to predict the potential energy and intermolecular forces of asphaltene molecules. The parameters associated with the chemical structure were also estimated for a specific asphaltene molecule to predict the Mie potential function. Based on the structural results, a new form of the Virial EOS with Peneloux correction was developed to estimate the density, solubility parameter and a correction factor that accounts for the structural effect of asphaltene. In this way, asphaltenes were considered as polymer-like compounds consisting of aggregates of a monodisperse. Finally, three new correlations were developed to predict the key parameters of asphaltenes, namely structural coefficient, density and solubility as functions of temperature and molecular weight. The correlations facilitate the calculation of the numerical methods of these parameters. These parameters were also compared successfully with the results found by the Soave Redlich Kwong equation of state. Meanwhile, at first the stage asphaltene was extracted and the roughness of the asphaltene coating in different rpm was studied by using of image analysis confocal microscopy. |
| first_indexed | 2024-12-11T15:22:44Z |
| format | Article |
| id | doaj.art-bf7eeedf16f144f7a3e074b48bce7a2e |
| institution | Directory Open Access Journal |
| issn | 1021-9986 1021-9986 |
| language | English |
| last_indexed | 2024-12-11T15:22:44Z |
| publishDate | 2008-06-01 |
| publisher | Iranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECR |
| record_format | Article |
| series | Iranian Journal of Chemistry & Chemical Engineering |
| spelling | doaj.art-bf7eeedf16f144f7a3e074b48bce7a2e2022-12-22T01:00:20ZengIranian Institute of Research and Development in Chemical Industries (IRDCI)-ACECRIranian Journal of Chemistry & Chemical Engineering1021-99861021-99862008-06-0127247586997Characterization of Asphaltene Using Potential Energy and NanocalculationSamad Sabbaghi0Abdolhossein Jahanmiri1Shahaboddin Ayatollahi2Mojtaba Shariaty Niassar3Gholam Ali Mansoori4Department of Chemical Engineering, Shiraz University, Shiraz, I.R. IRANDepartment of Chemical Engineering, Shiraz University, Shiraz, I.R. IRANDepartment of Chemical Engineering, Shiraz University, Shiraz, I.R. IRANSchool of Chemical Engineering, University College of Engineering, University of Tehran, Tehran, I.R. IRANDepartment of Chemical Engineering, University of Illinois, Chicago, USAThe basics of quantum mechanics and statistical thermodynamics were used to predict the potential energy and intermolecular forces of asphaltene molecules. The parameters associated with the chemical structure were also estimated for a specific asphaltene molecule to predict the Mie potential function. Based on the structural results, a new form of the Virial EOS with Peneloux correction was developed to estimate the density, solubility parameter and a correction factor that accounts for the structural effect of asphaltene. In this way, asphaltenes were considered as polymer-like compounds consisting of aggregates of a monodisperse. Finally, three new correlations were developed to predict the key parameters of asphaltenes, namely structural coefficient, density and solubility as functions of temperature and molecular weight. The correlations facilitate the calculation of the numerical methods of these parameters. These parameters were also compared successfully with the results found by the Soave Redlich Kwong equation of state. Meanwhile, at first the stage asphaltene was extracted and the roughness of the asphaltene coating in different rpm was studied by using of image analysis confocal microscopy.http://www.ijcce.ac.ir/article_6997_19508f21766be9825e5ce2889ac8a2d2.pdfmodelingasphaltenenanotechnologyintermolecular forcespotential energy |
| spellingShingle | Samad Sabbaghi Abdolhossein Jahanmiri Shahaboddin Ayatollahi Mojtaba Shariaty Niassar Gholam Ali Mansoori Characterization of Asphaltene Using Potential Energy and Nanocalculation Iranian Journal of Chemistry & Chemical Engineering modeling asphaltene nanotechnology intermolecular forces potential energy |
| title | Characterization of Asphaltene Using Potential Energy and Nanocalculation |
| title_full | Characterization of Asphaltene Using Potential Energy and Nanocalculation |
| title_fullStr | Characterization of Asphaltene Using Potential Energy and Nanocalculation |
| title_full_unstemmed | Characterization of Asphaltene Using Potential Energy and Nanocalculation |
| title_short | Characterization of Asphaltene Using Potential Energy and Nanocalculation |
| title_sort | characterization of asphaltene using potential energy and nanocalculation |
| topic | modeling asphaltene nanotechnology intermolecular forces potential energy |
| url | http://www.ijcce.ac.ir/article_6997_19508f21766be9825e5ce2889ac8a2d2.pdf |
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