Characterization of wax using potential energy and nanocalculation

International Journal of Nano Dimension

مقاله 12، دوره 3، شماره 3، خرداد 2013، صفحه 249-253   

نوع مقاله: Short Communication

شناسه دیجیتال (DOI): 10.7508/ijnd.2012.03.011

نویسندگان

L. Abedi¹؛ S. Sabbaghi^{* 1}؛ M. Aezami²؛ S. Sh. Ayatollahi³

¹Nano Chemical Engineering Department, Shiraz University, Shiraz, Iran.

²Chemistry Department, Yasouj University, Yasouj, Iran.

³Chemical Engineering Department, Shiraz University, Shiraz, Iran.

چکیده

Most reservoir fluids contain heavy paraffinic compounds that may precipitate as a solid or solid like material called wax if the fluid is cooled down. Wax precipitation is a phenomenon of considerable importance in oil industry. An increase in aggregation results in enhanced oil viscosity. This however causes significant negative effects on production, transportation and processing of crude oil. So, structural characterization of wax is considered to be important topic. In this work, normal paraffin molecules C₂₀, C₂₁, C₂₃, C₂₄, C₂₅, C₂₇, and C₂₉ have been considered as representatives of wax molecule. Intermolecular forces have been calculated using quantum mechanics and statistical analysis. Second virial coefficients have been obtained for these molecules by applying intermolecular potential energy. Finally SRK and PR equation of states parameters have been achieved to have molecular consideration of wax structure.

کلیدواژه‌ها

Wax؛ Intermolecular force؛ Second Virial Coefficient؛ SRK؛ PR