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...
- 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
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Universidad Nacional de Colombia |
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|
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 |
dc.type.redcol.spa.fl_str_mv |
http://purl.org/redcol/resource_type/TD |
format |
http://purl.org/coar/resource_type/c_db06 |
status_str |
acceptedVersion |
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 https://repositorio.unal.edu.co/bitstream/unal/63119/2/1085247861.2018.pdf.jpg |
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MD5 MD5 |
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Repositorio Institucional Universidad Nacional de Colombia |
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repositorio_nal@unal.edu.co |
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1814089762814820352 |
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 |