Molecular dynamics methodology for the evaluation of the chemical alteration of wettability of sandstones

A common practice in the petroleum industry is the waterflooding or another liquids into the formation, to extract the hydrocarbon contained in small pores, through of enhanced/recovery methods (IOR/EOR). In processes of enhanced recovery and condensate banking removal, the main goal is to enable th...

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Autores:
Moncayo Riascos, Iván Darío
Tipo de recurso:
Doctoral thesis
Fecha de publicación:
2018
Institución:
Universidad Nacional de Colombia
Repositorio:
Universidad Nacional de Colombia
Idioma:
spa
OAI Identifier:
oai:repositorio.unal.edu.co:unal/63119
Acceso en línea:
https://repositorio.unal.edu.co/handle/unal/63119
http://bdigital.unal.edu.co/63215/
Palabra clave:
66 Ingeniería química y Tecnologías relacionadas/ Chemical engineering
Wettability alteration
Surfactants
Contact angle
Molecular Alteración de la humectabilidad
Surfactante
Dinámica molecula
Rights
openAccess
License
Atribución-NoComercial 4.0 Internacional
id UNACIONAL2_b2e993f8ef760bc6111670263c4d63d7
oai_identifier_str oai:repositorio.unal.edu.co:unal/63119
network_acronym_str UNACIONAL2
network_name_str Universidad Nacional de Colombia
repository_id_str
dc.title.spa.fl_str_mv Molecular dynamics methodology for the evaluation of the chemical alteration of wettability of sandstones
title Molecular dynamics methodology for the evaluation of the chemical alteration of wettability of sandstones
spellingShingle Molecular dynamics methodology for the evaluation of the chemical alteration of wettability of sandstones
66 Ingeniería química y Tecnologías relacionadas/ Chemical engineering
Wettability alteration
Surfactants
Contact angle
Molecular Alteración de la humectabilidad
Surfactante
Dinámica molecula
title_short Molecular dynamics methodology for the evaluation of the chemical alteration of wettability of sandstones
title_full Molecular dynamics methodology for the evaluation of the chemical alteration of wettability of sandstones
title_fullStr Molecular dynamics methodology for the evaluation of the chemical alteration of wettability of sandstones
title_full_unstemmed Molecular dynamics methodology for the evaluation of the chemical alteration of wettability of sandstones
title_sort Molecular dynamics methodology for the evaluation of the chemical alteration of wettability of sandstones
dc.creator.fl_str_mv Moncayo Riascos, Iván Darío
dc.contributor.advisor.spa.fl_str_mv Hoyos Madrigal, Bibian Alonso (Thesis advisor)
dc.contributor.author.spa.fl_str_mv Moncayo Riascos, Iván Darío
dc.subject.ddc.spa.fl_str_mv 66 Ingeniería química y Tecnologías relacionadas/ Chemical engineering
topic 66 Ingeniería química y Tecnologías relacionadas/ Chemical engineering
Wettability alteration
Surfactants
Contact angle
Molecular Alteración de la humectabilidad
Surfactante
Dinámica molecula
dc.subject.proposal.spa.fl_str_mv Wettability alteration
Surfactants
Contact angle
Molecular Alteración de la humectabilidad
Surfactante
Dinámica molecula
description A common practice in the petroleum industry is the waterflooding or another liquids into the formation, to extract the hydrocarbon contained in small pores, through of enhanced/recovery methods (IOR/EOR). In processes of enhanced recovery and condensate banking removal, the main goal is to enable the mobility of production fluids through porous media. For which the concept of wettability is essential since it defines to a great extent how fluids distribution takes place in porous media. In addition, wettability has a huge impact on the variables of field exploitation such as capillary pressure, relative permeability, initial water or residual oil saturation and crude recovery. In this work a methodology to evaluate and represent the wettability alteration phenomena was developed, promoted by the surfactants reaction or adsorption on a surface. The methodology developed through molecular dynamics consist in four procedures: i) tunning the energetic parameter of the interaction potential to achieve a proper description of the initial wettability state, ii) the representation of the adsorption/reaction of the surfactant molecules on the surface, iii) the evaluation of the surface coverage degree, and iv) the contact angle measurements of the liquids on the surfactant-covered surface, in which the wettability alteration promoted by the surfactant was determine. The methodology was validated for surfactants with different types of molecular structure: fluorocarbonated structures, non-ionic surfactants with chain of ethylene oxides (EO). This validation included an analysis of the effect of the chain structure i.e. length and ramifications. To do this, four case studies were evaluated, obtaining excellent agreement between the contact angles measured experimentally and those ones obtained by molecular simulation. The results obtained allow to dilucide the effect of a particular surfactant molecular structure on the performance to promote a specific wetting state.
publishDate 2018
dc.date.issued.spa.fl_str_mv 2018-04-17
dc.date.accessioned.spa.fl_str_mv 2019-07-02T21:29:44Z
dc.date.available.spa.fl_str_mv 2019-07-02T21:29:44Z
dc.type.spa.fl_str_mv Trabajo de grado - Doctorado
dc.type.driver.spa.fl_str_mv info:eu-repo/semantics/doctoralThesis
dc.type.version.spa.fl_str_mv info:eu-repo/semantics/acceptedVersion
dc.type.coar.spa.fl_str_mv http://purl.org/coar/resource_type/c_db06
dc.type.content.spa.fl_str_mv Text
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format http://purl.org/coar/resource_type/c_db06
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dc.identifier.uri.none.fl_str_mv https://repositorio.unal.edu.co/handle/unal/63119
dc.identifier.eprints.spa.fl_str_mv http://bdigital.unal.edu.co/63215/
url https://repositorio.unal.edu.co/handle/unal/63119
http://bdigital.unal.edu.co/63215/
dc.language.iso.spa.fl_str_mv spa
language spa
dc.relation.ispartof.spa.fl_str_mv Universidad Nacional de Colombia Sede Medellín Facultad de Minas Escuela de Procesos y Energía
Escuela de Procesos y Energía
dc.relation.references.spa.fl_str_mv Moncayo Riascos, Iván Darío (2018) Molecular dynamics methodology for the evaluation of the chemical alteration of wettability of sandstones. Doctorado thesis, Universidad Nacional de Colombia - Sede Medellín.
dc.rights.spa.fl_str_mv Derechos reservados - Universidad Nacional de Colombia
dc.rights.coar.fl_str_mv http://purl.org/coar/access_right/c_abf2
dc.rights.license.spa.fl_str_mv Atribución-NoComercial 4.0 Internacional
dc.rights.uri.spa.fl_str_mv http://creativecommons.org/licenses/by-nc/4.0/
dc.rights.accessrights.spa.fl_str_mv info:eu-repo/semantics/openAccess
rights_invalid_str_mv Atribución-NoComercial 4.0 Internacional
Derechos reservados - Universidad Nacional de Colombia
http://creativecommons.org/licenses/by-nc/4.0/
http://purl.org/coar/access_right/c_abf2
eu_rights_str_mv openAccess
dc.format.mimetype.spa.fl_str_mv application/pdf
institution Universidad Nacional de Colombia
bitstream.url.fl_str_mv https://repositorio.unal.edu.co/bitstream/unal/63119/1/1085247861.2018.pdf
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repository.name.fl_str_mv Repositorio Institucional Universidad Nacional de Colombia
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spelling Atribución-NoComercial 4.0 InternacionalDerechos reservados - Universidad Nacional de Colombiahttp://creativecommons.org/licenses/by-nc/4.0/info:eu-repo/semantics/openAccesshttp://purl.org/coar/access_right/c_abf2Hoyos Madrigal, Bibian Alonso (Thesis advisor)faaccb89-a4d1-44e5-9ba7-c79552c4762d-1Moncayo Riascos, Iván Darío38539349-8745-4dda-9722-43d2801e51493002019-07-02T21:29:44Z2019-07-02T21:29:44Z2018-04-17https://repositorio.unal.edu.co/handle/unal/63119http://bdigital.unal.edu.co/63215/A common practice in the petroleum industry is the waterflooding or another liquids into the formation, to extract the hydrocarbon contained in small pores, through of enhanced/recovery methods (IOR/EOR). In processes of enhanced recovery and condensate banking removal, the main goal is to enable the mobility of production fluids through porous media. For which the concept of wettability is essential since it defines to a great extent how fluids distribution takes place in porous media. In addition, wettability has a huge impact on the variables of field exploitation such as capillary pressure, relative permeability, initial water or residual oil saturation and crude recovery. In this work a methodology to evaluate and represent the wettability alteration phenomena was developed, promoted by the surfactants reaction or adsorption on a surface. The methodology developed through molecular dynamics consist in four procedures: i) tunning the energetic parameter of the interaction potential to achieve a proper description of the initial wettability state, ii) the representation of the adsorption/reaction of the surfactant molecules on the surface, iii) the evaluation of the surface coverage degree, and iv) the contact angle measurements of the liquids on the surfactant-covered surface, in which the wettability alteration promoted by the surfactant was determine. The methodology was validated for surfactants with different types of molecular structure: fluorocarbonated structures, non-ionic surfactants with chain of ethylene oxides (EO). This validation included an analysis of the effect of the chain structure i.e. length and ramifications. To do this, four case studies were evaluated, obtaining excellent agreement between the contact angles measured experimentally and those ones obtained by molecular simulation. The results obtained allow to dilucide the effect of a particular surfactant molecular structure on the performance to promote a specific wetting state.Una práctica común en la industria petrolera es inyectar agua u otros líquidos en la formación subterránea para extraer el hidrocarburo contenido en los poros pequeños, mediante métodos de mejoramiento/recuperación (IOR/EOR) de petróleo. Uno de los factores importantes en el aumento de recobro, es el concepto de humectabilidad, el cual se define como la afinidad de un fluido a estar en contacto con un sólido, en presencia de otros fluidos inmiscibles. El efecto de la humectabilidad es importante debido a que afecta variables importantes en la explotación de yacimientos, como lo son la presión capilar, la permeabilidad relativa, la saturación de agua inicial o de petróleo residual y la recuperación de crudo. En el presente trabajo se desarrolló una metodología para describir y evaluar el fenómeno de la alteración de la humectabilidad, generado por la reacción o adsorción de surfactantes sobre una superficie determinada. La metodología desarrollada mediante dinámica molecular consiste en la implementación de cuatro procedimientos: i) la sintonización del parámetro energético del potencial de la superficie para una descripción apropiada del estado de humectación inicial, ii) la simulación de la reacción o adsorción de un surfactante sobre una superficie determinada, iii) la evaluación del grado de ubrimiento de la superficie con el surfactante y iv) la medición del ángulo de contacto de gotas de líquidos sobre la superficie recubierta, con lo cual se determina la alteración de humectabilidad producida por el surfactante. La metodología se validó para surfactantes con diferentes tipos de estructura molecular : estructuras fluorocarbonadas, surfactantes no - iónicos con cadenas de óxidos de etileno (EO) y se evalúo el efecto de la estructura de la cadena (longitud y ramificaciones). Para ello se evaluaron cuatro casos de estudio, obteniendo en todos ellos excelentes aproximaciones entre los ángulos de contacto medidos experimentalmente y los obtenidos con simulación molecular. Los resultados obtenidos permiten dilucidar el efecto de una XMolecular Dynamics Methodology for the Evaluation of the Chemical Alteration of Wettability of sandstones determinada estructura molecular de un surfactante en el desempeño para promover un estado de humectación de la superficie específico.Doctoradoapplication/pdfspaUniversidad Nacional de Colombia Sede Medellín Facultad de Minas Escuela de Procesos y EnergíaEscuela de Procesos y EnergíaMoncayo Riascos, Iván Darío (2018) Molecular dynamics methodology for the evaluation of the chemical alteration of wettability of sandstones. Doctorado thesis, Universidad Nacional de Colombia - Sede Medellín.66 Ingeniería química y Tecnologías relacionadas/ Chemical engineeringWettability alterationSurfactantsContact angleMolecular Alteración de la humectabilidadSurfactanteDinámica moleculaMolecular dynamics methodology for the evaluation of the chemical alteration of wettability of sandstonesTrabajo de grado - Doctoradoinfo:eu-repo/semantics/doctoralThesisinfo:eu-repo/semantics/acceptedVersionhttp://purl.org/coar/resource_type/c_db06Texthttp://purl.org/redcol/resource_type/TDORIGINAL1085247861.2018.pdfTesius de Doctorado en Ingeniería - Sistemas Energéticosapplication/pdf3830660https://repositorio.unal.edu.co/bitstream/unal/63119/1/1085247861.2018.pdfee14c286f9456d92dc6f5b556ce83642MD51THUMBNAIL1085247861.2018.pdf.jpg1085247861.2018.pdf.jpgGenerated Thumbnailimage/jpeg5171https://repositorio.unal.edu.co/bitstream/unal/63119/2/1085247861.2018.pdf.jpg46329f3fa10a7f3cf5d645109cc7377fMD52unal/63119oai:repositorio.unal.edu.co:unal/631192023-10-11 21:06:29.169Repositorio Institucional Universidad Nacional de Colombiarepositorio_nal@unal.edu.co