Computer-assisted design of oil additives: hydrate and wax inhibitors
| Autor: | C. Moon, D. M. Duffy, P. M. Rodger |
|---|---|
| Rok vydání: | 2004 |
| Předmět: |
chemistry.chemical_classification
Wax Clathrate hydrate Biophysics Nucleation Polymer Condensed Matter Physics Methane law.invention chemistry.chemical_compound Molecular dynamics Chemical engineering chemistry law visual_art visual_art.visual_art_medium Physical and Theoretical Chemistry Crystallization Hydrate Molecular Biology |
| Zdroj: | Molecular Physics. 102:203-210 |
| ISSN: | 1362-3028 0026-8976 |
| DOI: | 10.1080/00268970310001648717 |
| Popis: | In this paper we present the results of a molecular simulation study of low dosage anti-freeze agents for two common problems that occur during oil and gas transport: gas hydrate crystallization and wax deposition. Direct molecular dynamics simulations are presented of the nucleation and growth of methane hydrate from a liquid water film, and of the suppression of this growth in the presence of a well-known kinetic inhibitor—polyvinylpyrrolidone. In the case of wax inhibition we present a simple model for predicting the activity of comb-like polymers, which is likely to be useful for identifying the most active inhibitor from within a given class. The method is applied to a set of random copolymers and shown to correlate well with experimental data. |
| Databáze: | OpenAIRE |
| Externí odkaz: |
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