Influence of Polar Substance of Crude Oil on Adsorption and Wettability in Water Flooding Reservoir: Molecular Simulation

doi:10.19596/j.cnki.1001-246x.8316

Abstract

Abstract:

To study adsorption mechanism of polar substance of crude oil in water flooding reservoir and its influence on surface wettability of reservoir, a sandstone skeleton model represented by quartz, a non-polar substance model represented by hexane and polar substance models represented by toluene, resin and asphaltene are constructed. Competition adsorption process and wet condition of four crude oil components and water molecules on sandstone reservoir surface are studied with molecular simulation. It shows that non-polar substances of crude oil are more easily desorbed than the polar substances when water competes with the four components for adsorption on quartz mineral surface. And as time goes by, polar substances are gradually adsorbed on the rock mineral surface, while non-polar substances move away gradually. Electrostatic force acts as adsorption and van der Waals force acts as repulsion in adsorption process. Finally, based on wettability experiment results, influence of different crude oil compositions on wettability was explained in mechanism, that is, the more polar substance in the oil component, the more resin and asphaltene, the strong the oil wettability of rock surface is. And it is more difficult to change the wettability to hydrophilic during water flooding. The conclusions are of great significance in the understanding of contributing factors of the recovery in water flooding reservoirs.

Key words: polar substance, competitive adsorption, wettability, molecular simulation

CLC Number:

TE312

Renyi CAO, Tao HUANG, Linsong CHENG, Zhanwu GAO, Zhihao JIA. Influence of Polar Substance of Crude Oil on Adsorption and Wettability in Water Flooding Reservoir: Molecular Simulation[J]. Chinese Journal of Computational Physics, 2021, 38(5): 595-602.

Figures/Tables 12

Fig.1 Crystal cell of quartz minerals

Fig.2 Mineral calculation model

Fig.3 Fluid model (a) hexane; (b) toluene; (c) resin; (d) asphaltene; (e) water

Fig.4 Adsorption heat of four crude oil components and water in quartz minerals

Fig.5 Relative density distributions of four crude oil components and water in quartz mineral model (a) water and hexane; (b) water and toluene; (c) water and resin; (d) water and asphaltene

Fig.6 Interaction energies of four crude oil components and water with quartz minerals

Fig.7 Adsorption state of hexane and water on quartz mineral surface at (a) 0 ps; (b) 50 ps; (c) 150 ps; (d) 350 ps; (e) 500 ps (Red for oxygen, white for hydrogen, gray for carbon and yellow for silicon)

Fig.8 Adsorption state of toluene and water on quartz mineral surface at (a) 0 ps; (b) 50 ps; (c) 150 ps; (d) 350 ps; (e) 500 ps

Fig.9 Adsorption state of gum and water on quartz mineral surface at (a) 0 ps; (b) 50 ps; (c) 150 ps; (d) 350 ps; (e) 500 ps

Fig.10 Adsorption state of asphaltene and water on quartz mineral surface at (a) 0 ps; (b) 50 ps; (c) 150 ps; (d) 350 ps; (e) 500 ps

Fig.11 Percentage of four crude oil components and water on the surface area of quartz minerals as functions of time (a) water and hexane; (b) water and toluene; (c) water and resin; (d) water and asphaltene

Table 1 Composition analysis and contact angle determination of crude oil samples

	沥青质/%	胶质/%	芳香烃/%	饱和烃/%	总收率/%	接触角/°
样品1	4.48	6.91	13.58	73.77	98.97	78.40
样品2	8.23	12.38	21.41	57.41	99.43	88.70
样品3	10.08	12.93	20.84	55.57	99.42	110.70

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