Study of the precipitation trend of asphaltenes and waxes in crude oil using computational chemistry and statistical thermodynamics methods

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AudienciaPúblico en generales_ES
CoberturaMéxicoes_ES
Fecha de ingreso2026-10-05T16:32:43Z
Fecha de publicación2024-01-01
ResumenAsphaltenes aggregation and waxes in petroleum were simulated considering five molecular structures containing functional groups: asphaltenes, resins, and non-polar hydrocarbons in a heavy oil crude. The properties of molecules were calculated using the density functional theory. The van der Waals constants associated with the pairwise interactions and the Hamaker constants for the dispersed phase (formed by asphaltenes and waxes) and the dispersion medium (created by non-polar hydrocarbons) were estimated. Sparse pass size as a function of its composition is calculated using Qyle groups and the Young-Laplace equation. We also assessed the potential colloidal pair corresponding to the interactions between the asphaltene and resin aggregates for different dispersion media, the attractive energies between the asphaltene molecules (-60 10-20 J approximate to) are more than twice as high as the attractive energies concerning the rest of the molecules present ( x-30-10] 10-20 approximate to x J). It is predicted that attraction energy between the aggregates decreases with the increase of the presence of resin in the dispersed phase, This is explained by the fact that the increase in the concentration n of resin can lead to a decrease in the relative size d of the aggregates by up to 90 \% (for n = 0.1, d = 0.1 and for n = 0.9, d = 0.1). This decrease in aggregate size is manifested in a theoretically calculated effective viscosity reduction of up to 50 \%.es_ES
Doihttps://doi.org/10.1016/j.rineng.2023.101672es_ES
URIhttps://riuat.uat.edu.mx/handle/123456789/4551
Idiomaenes_ES
EditorialELSEVIERes_ES
RelaciónResults in Engineeringes_ES
URL relacionadohttps://doi.org/10.1016/j.rineng.2023.101672es_ES
DerechosAcceso abierto (Metadatos de producción científica)es_ES
Licenciahttp://purl.org/coar/access_right/c_abf2es_ES
FuenteResults in Engineering
TítuloStudy of the precipitation trend of asphaltenes and waxes in crude oil using computational chemistry and statistical thermodynamics methodses_ES
TipoArtículoes_ES
ArbitradoHa sido Arbitradoes_ES
AutorSuarez-Dominguez, E. J.
AutorPerez-Sanchez, J. F.
AutorHerrera-Pilotzi, H.
AutorRodriguez-Rodriguez, Rafael
AutorPerez-Badell, Y.
AutorMontero-Cabrera, L. A.
AutorIzquierdo-Kulich, E. F.
AutorSuarez-Dominguez, E. J.es_ES
AutorPerez-Sanchez, J. F.es_ES
AutorHerrera-Pilotzi, H.es_ES
AutorRodriguez-Rodriguez, Rafaeles_ES
AutorPerez-Badell, Y.es_ES
AutorMontero-Cabrera, L. A.es_ES
AutorIzquierdo-Kulich, E. F.es_ES
InstituciónUniversidad Autónoma de Tamaulipas
InstituciónUniversidad Autónoma de Tamaulipases_ES
URL relacionadahttps://doi.org/10.1016/j.rineng.2023.101672
Tipo de artículoIndexado
Tipo de artículoIndexadoes_ES
Volumen21es_ES

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