Molecular Dynamics Numerical Simulation of Adsorption Characteristics and Exploitation Limits in Shale Oil Microscopic Pore Spaces
Guochen Xu*
Taizhou Oil Production Plant, Sinopec East China Oil and Gas Company, Taizhou, 225300, China
*
Corresponding Author: Guochen Xu. Email: guochenxu2024@163.com
Fluid Dynamics & Materials Processing https://doi.org/10.32604/fdmp.2024.048337
Received 05 December 2023; Accepted 30 January 2024; Published online 08 April 2024
Abstract
Microscopic pore structure in continental shale oil reservoirs is characterized by small pore throats and complex
micro-structures. The adsorption behavior of hydrocarbons on the pore walls exhibits unique physical and
chemical properties. Therefore, studying the adsorption morphology of hydrocarbon components in nanometer-sized pores and clarifying the exploitation limits of shale oil at the microscopic level are of great practical
significance for the efficient development of continental shale oil. In this study, molecular dynamics simulations
were employed to investigate the adsorption characteristics of various single-component shale oils in inorganic
quartz fissures, and the influence of pore size and shale oil hydrocarbon composition on the adsorption properties
in the pores was analyzed. The results show that different molecules have different adsorption capacities in shale
oil pores, with lighter hydrocarbon components (C
6H
14) exhibiting stronger adsorption abilities. For the same
adsorbed molecule, the adsorption amount linearly increases with the increase in pore diameter, but larger pores
contribute more to shale oil adsorption. In shale pores, the thickness of the adsorption layer formed by shale oil
molecules ranges from 0.4 to 0.5 nm, which is similar to the width of alkane molecules. Shale oil in the adsorbed
state that is difficult to be exploited is mainly concentrated in the first adsorption layer. Among them, the volume
fraction of adsorbed shale oil in 6 nm shale pores is 40.8%, while the volume fraction of shale oil that is difficult to
be exploited is 16.2%.
Keywords
Shale oil utilization limit; micro adsorption; molecular dynamics simulation
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