Influence of the Presence of Sulfur and Oxygen Atoms on Molecular, Thermodynamic and Transport Properties in Hydrocarbon Mixtures

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AudienciaPúblico en generales_ES
CoberturaMéxicoes_ES
Fecha de ingreso2026-09-15T00:30:08Z
Fecha de publicación2024-01-01
ResumenIntroduction: Crude oil is a complex blend of various hydrocarbon families, with compositions that vary depending on the source well and exploitation duration. To categorize its constituents, SARA analysis divides them into saturated, aromatic, resins, and asphaltenes. Heavy asphaltene- rich crude oils can present challenges like viscosity and pipeline blockages, which are often addressed with viscosity-reducing additives. However, a theoretical framework explaining how these additives affect crude oil is lacking, relying primarily on empirical observations. To optimize these additives, it is crucial to understand the underlying chemical and physical processes. This study hypothesizes that asphaltenic crude oils influence viscosity through colloidal properties linked to molecular interactions. Methods: The research aimed to analyze the impact of sulfur in asphaltenes and oxygen in flow improvers on the transport properties of an idealized crude oil, with the goal of predicting additive feasibility. A methodology that combined computational quantum chemistry and statistical thermodynamics was used. An idealized model of crude oil was created, consisting of non-polar alkanes and polar asphaltenes with sulfur atoms. A flow improver was simulated with an aromatic-aliphatic structure containing oxygen and hydroxyl groups, and viscosity was calculated. Results: This study assessed the transport properties of the mixture using principles of statistical thermodynamics. The theoretical insights revealed that reducing viscosity in asphaltene-rich crude oils with additives depends on several critical factors, including the formation of the dispersed phase, the reduced viscosity of the additive, and the effects of dilution. The research identified a strong link between the enhanced effectiveness of these additives and their structural and molecular properties. Conclusion: The theoretical results suggest that additives that act as viscosity reducers in asphalt crudes achieve optimal performance when they possess both higher polarity and reduced viscosity.es_ES
Doihttps://doi.org/10.2174/0115734110288809240221045611es_ES
URIhttps://riuat.uat.edu.mx/handle/123456789/2089
Idiomaeses_ES
EditorialBentham Science Publishers Ltd.es_ES
RelaciónCurrent Analytical Chemistryes_ES
URL relacionadohttps://doi.org/10.2174/0115734110288809240221045611es_ES
DerechosAcceso abierto (Metadatos de producción científica)es_ES
Licenciahttp://purl.org/coar/access_right/c_abf2es_ES
FuenteCurrent Analytical Chemistry
TítuloInfluence of the Presence of Sulfur and Oxygen Atoms on Molecular, Thermodynamic and Transport Properties in Hydrocarbon Mixtureses_ES
TipoArtículoes_ES
ArbitradoHa sido Arbitradoes_ES
AutorPerez-Sanchez, Josue Francisco
AutorGalindo-Lopez, Ruth del Carmen
AutorDominguez, Edgardo Jonathan Suarez
AutorRodriguez-Rodriguez, Jpsé Rafael
AutorPerez-Badell, Yoana
AutorKulich, Elena Francisco Izquierdo
AutorPerez-Sanchez, Josue Franciscoes_ES
AutorGalindo-Lopez, Ruth del Carmenes_ES
AutorDominguez, Edgardo Jonathan Suarezes_ES
AutorRodriguez-Rodriguez, Jpsé Rafaeles_ES
AutorPerez-Badell, Yoanaes_ES
AutorKulich, Elena Francisco Izquierdoes_ES
InstituciónUniversidad Autónoma de Tamaulipas
InstituciónUniversidad Autónoma de Tamaulipases_ES
Número5es_ES
Rango de páginas335-344es_ES
URL relacionadahttps://doi.org/10.2174/0115734110288809240221045611
Tipo de artículoIndexado
Tipo de artículoIndexadoes_ES
Volumen20es_ES

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