Stability and Aggregation of Asphaltenes in Asphaltene−Resin−Solvent Mixtures

Autor:	C. Lira-Galeana, ⊥ A. Ortega-Rodriguez, † and F. Guevara-Rodriguez, Y. Duda
Rok vydání:	2004
Předmět:	Chromatography Chemistry General Chemical Engineering Energy Engineering and Power Technology Thermodynamics Dielectric Toluene Integral equation Solvent Molecular dynamics chemistry.chemical_compound Fuel Technology Molecule Phase diagram Asphaltene
Zdroj:	Energy & Fuels. 18:674-681
ISSN:	1520-5029 0887-0624
Popis:	The Integral Equation Theory (IET) of fluids and molecular dynamics (MD) simulations have been used to study the stability and aggregation of asphaltenes in asphaltene−resin mixtures with different host solvents (n-heptane, toluene, and pyridine). The theory is based on an approximate 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 e. This interaction potential is used within the Ornstein−Zernike Hypernetted Chain (OZ-HNC) approximation for calculating radial distribution functions, structure factors, the limits of material stability, and the phase diagrams of asphaltene-containing systems, where the peptizing behavior of 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 the proposed approach, which suggests its suitability as an alternative calculat...
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::6dea9ae97a20b8f754270f97f72344d1 https://doi.org/10.1021/ef0301699 Zobrazit plný text záznamu