Abstract
The fluid thermodynamic properties under confinement deviate from those in the bulk phase. This PhD research quantifies these deviations by developing an Equation of State (EoS) based on the Statistical Associating Fluid Theory (SAFT). First-principle molecular dynamics (MD) simulations are then employed to determine the confinement parameters. Additionally, MD simulations are used to investigate the molecular aspects of Enhancing Oil Recovery (EoR) through Low Saline Water (LSW) injection, revealing that the expansion of the Electrical Double Layer is a primary factor in oil displacement by LSW. The methodology and outcomes presented here have broad applicability across various fields, including catalysis, enhanced oil recovery, CO2 storage, and contaminant transport.
List of papers
Paper I. Sajjad Ahmadi Goltapeh, Saeed Abdolahi, Rohaldin Miri and Helge Hellevang. “Extension of PC-SAFT equation of state to include mineral surface effect in fluid properties using molecular dynamics simulation”. In: Sustainable Energy Technologies and Assessments. Vol. 48, (2021), pp. 101624. DOI: 10.1016/j.seta.2021.101624. The article is included in the thesis. Also available at: https://doi.org/10.1016/j.seta.2021.101624 |
Paper II. Sajjad Ahmadi Goltapeh, Rohaldin Miri, Per Aagaard and Helge Hellevang. “Extension of SAFT Equation of State for Fluids Confined in Nano-pores of Sedimentary Rocks Using Molecular Dynamics Simulation”. In: Journal of Molecular Liquids. Vol. 348, (2022), pp. 118045. DOI: 10.1016/j.molliq.2021.118045. The article is included in the thesis. Also available at: https://doi.org/10.1016/j.molliq.2021.118045 |
Paper III. Sajjad Ahmadi Goltapeh, Saeed Abdolahi, Jens Sigurd Jahren, Rohaldin Miri and Helge Hellevang. “Drivers of Low Salinity Effect in Carbonate Reservoirs Using Molecular Dynamics Simulation”. In: Journal of Molecular Liquids. Vol. 360, (2022), pp. 119490. DOI: 10.1016/j.molliq.2022.119490. The article is included in the thesis. Also available at: https://doi.org/10.1016/j.molliq.2022.119490 |