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dc.contributor.authorde Carvalho Jacobina Andrade, Deraldoen
dc.date.accessioned2021-04-01T08:00:23Zen
dc.date.available2021-04-01T08:00:23Zen
dc.date.issued2021-03-31en
dc.identifier.othervt_gsexam:29253en
dc.identifier.urihttp://hdl.handle.net/10919/102912en
dc.description.abstractThe depletion of conventional oil reservoirs forced companies and consequently researchers to pursue alternatives such as resources that in the past were considered not economically viable, in consequence of the high depth, low porosity and permeability of the play zone. The exploration challenges were overcome mainly by the development of horizontal drilling and hydraulic fracturing. However, the extremely high temperatures and pressures, in association to a complex nanopore structure, in which reservoir fluids are now encountered, instigate further investigation of fluid phase behavior and composition, and challenge conventional macroscale reservoir simulation predictions. Moreover, the unusual high temperatures and pressures have increased the cost as well as the hazardous level for reservoir analyzes by lab experiments. Molecular Dynamics (MD) simulation of reservoirs can be a safe and inexpensive alternative tool to replicate reservoir pore and fluid conditions, as well as to monitor fluid behavior. In this study, a MD simulation of nanoconfinement effect on hydrocarbon fluid phase and compositional behavior in organic shale rocks is presented. Chapter 1 reviews and discusses previous works on MD simulations of geological resources. With the knowledge acquired, a fully atomistic squared graphite pore is proposed and applied to study hydrocarbon fluid phase and compositional behavior in organic shale rocks in Chapter 2. Results demonstrate that nano-confinement increases fluid mass density, which can contribute to phase transition, and heptane composition inside studied pores. The higher fluid density results in an alteration of oil in place (OIP) prediction by reservoir simulations, when nano-confinement effect is not considered.en
dc.format.mediumETDen
dc.publisherVirginia Techen
dc.rightsIn Copyrighten
dc.rights.urihttp://rightsstatements.org/vocab/InC/1.0/en
dc.subjectMolecular Dynamics simulationen
dc.subjectunconventional reservoiren
dc.subjectshaleen
dc.subjecthydrocarbonen
dc.subjectphase behavioren
dc.subjectcompositionen
dc.subjectdensityen
dc.subjectoil in placeen
dc.subjectnanoporeen
dc.titleMolecular Dynamics Study of Nano-confinement Effect on Hydrocarbons Fluid Phase Behavior and Composition in Organic Shaleen
dc.typeThesisen
dc.contributor.departmentMining Engineeringen
dc.description.degreeMaster of Scienceen
thesis.degree.nameMaster of Scienceen
thesis.degree.levelmastersen
thesis.degree.grantorVirginia Polytechnic Institute and State Universityen
thesis.degree.disciplineMining Engineeringen
dc.contributor.committeechairNojabaei, Baharehen
dc.contributor.committeememberRipepi, Nino S.en
dc.contributor.committeememberChen, Chengen
dc.description.abstractgeneralPetroleum sub products are present in the day to day life of almost any human. The list include gasoline, plastics, perfumes, medications, polyester for clothing. Petroleum is naturally encountered in the void space, known as pores, inside rocks at reservoirs thousands of feet underground. In the past, the pores of oil reservoirs in development were larger and interconnected, which facilitates its extraction and reserve predictions. Most of reservoirs being developed nowadays have pores in the nanoscale and with poor interconnection as well as higher reservoir temperatures and pressure. These "new conditions", instigates further investigation of fluid phase behavior and composition, and challenge macroscale reservoir simulation predictions. In this study, the effect of decrease in pore size, as well as higher temperature and pressure conditions, in fluid behavior and composition is studied. Chapter 1 reviews and discusses previous works on geological resources modeling and simulation. With the knowledge acquired, a fully squared shale pore is proposed and applied to study hydrocarbon fluid phase and compositional behavior in organic shale rocks in Chapter 2. Results demonstrate that pores in the nanoscale region tend to increase fluid mass density, which can contribute to phase transition, and heptane composition inside studied pores. The higher fluid density results in an underestimation of reserves prediction by reservoir simulations, when the change in density is not considered.en


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