Stability and Aggregation of Asphaltenes in Asphaltene-Resin-Solvent Mixtures
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- 作者：A. Ortega-Rodriguez ; Y. Duda ; F. Guevara-Rodriguez ; and C. Lira-Galeana
- 刊名：Energy & Fuels
- 出版年：2004
- 出版时间：May 2004
- 年：2004
- 卷：18
- 期：3
- 页码：674 - 681
- 全文大小：214K
- 年卷期：v.18,no.3(May 2004)
- ISSN：1520-5029
文摘
The Integral Equation Theory (IET) of fluids and molecular dynamics (MD) simulations havebeen used to study the stability and aggregation of asphaltenes in asphaltene-resin mixtureswith different host solvents (n-heptane, toluene, and pyridine). The theory is based on anapproximate interaction-potential model that represents the asphaltene-asphaltene (A-A),asphaltene-resin (A-R), and resin-resin (R-R) interactions in a solvent of dielectric constant
. This interaction potential is used within the Ornstein-Zernike Hypernetted Chain (OZ-HNC)approximation for calculating radial distribution functions, structure factors, the limits of materialstability, and the phase diagrams of asphaltene-containing systems, where the peptizing behaviorof resins is studied as a function of the ratio of resin-to-asphaltene molecules in each host solvent.Comparisons of the theoretical OZ-HNC and MD simulations confirm the good accuracy of theproposed approach, which suggests its suitability as an alternative calculation method forpredicting the phase behavior of asphaltene-containing oil fluids.
. This interaction potential is used within the Ornstein-Zernike Hypernetted Chain (OZ-HNC)approximation for calculating radial distribution functions, structure factors, the limits of materialstability, and the phase diagrams of asphaltene-containing systems, where the peptizing behaviorof resins is studied as a function of the ratio of resin-to-asphaltene molecules in each host solvent.Comparisons of the theoretical OZ-HNC and MD simulations confirm the good accuracy of theproposed approach, which suggests its suitability as an alternative calculation method forpredicting the phase behavior of asphaltene-containing oil fluids.