Extraction of kerogen from oil shale with supercritical carbon dioxide: Molecular dynamics simulations

Wu, Tiantian; Xue, Qingzhong; Li, Xiaofang; Tao, Yehan; Jin, Yakang; Ling, Cuicui; Lu, Shuangfang

doi:10.1016/j.supflu.2015.07.005

Cited by 64 publications

(25 citation statements)

References 54 publications

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“…b 0 , K i ( i = 2 − 4), θ 0 , H i ( i = 2 − 4), ( i = 1 − 3), V i ( i = 1 − 3), , , , , F bθ , F bϕ , , F i ( i = 1 − 3), F θϕ , , A ij and B ij are fitted from quantum mechanics calculations and are implemented into the Discover module of Materials Studio. Lennard-Jones potential is employed to describe intermolecular interactions between oil molecules, oil molecule and nanochannels [14, 21, 22]. The cutoff distance of 15.5 Å is selected to calculate the vdW interactions, and the Ewald method and the atom-based method are applied for the calculation of electrostatic interactions and vdW interactions, respectively.…”

Section: Methodsmentioning

confidence: 99%

Surface Effect on Oil Transportation in Nanochannel: a Molecular Dynamics Study

Zheng

Zhu

et al. 2017

Nanoscale Res Lett

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In this work, we investigate the dynamics mechanism of oil transportation in nanochannel using molecular dynamics simulations. It is demonstrated that the interaction between oil molecules and nanochannel has a great effect on the transportation properties of oil in nanochannel. Because of different interactions between oil molecules and channel, the center of mass (COM) displacement of oil in a 6-nm channel is over 30 times larger than that in a 2-nm channel, and the diffusion coefficient of oil molecules at the center of a 6-nm channel is almost two times more than that near the channel surface. Besides, it is found that polarity of oil molecules has the effect on impeding oil transportation, because the electrostatic interaction between polar oil molecules and channel is far larger than that between nonpolar oil molecules and channel. In addition, channel component is found to play an important role in oil transportation in nanochannel, for example, the COM displacement of oil in gold channel is very few due to great interaction between oil and gold substrate. It is also found that nano-sized roughness of channel surface greatly influences the speed and flow pattern of oil. Our findings would contribute to revealing the mechanism of oil transportation in nanochannels and therefore are very important for design of oil extraction in nanochannels.Electronic supplementary materialThe online version of this article (doi:10.1186/s11671-017-2161-2) contains supplementary material, which is available to authorized users.

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Section: Methodsmentioning

confidence: 99%

Surface Effect on Oil Transportation in Nanochannel: a Molecular Dynamics Study

Zheng

Zhu

et al. 2017

Nanoscale Res Lett

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“…Under a supercritical state (a temperature and pressure higher than 31.1 • C and 7.2 MPa, respectively), CO 2 has been demonstrated to be an excellent solvent for organic compounds [99]. Supercritical CO 2 has a density and dissolving ability similar to those of liquid CO 2 , while its diffusivity, viscosity, and surface tension are comparable to those of gas [100]. As such, supercritical CO 2 offers the efficient dissolution and mass transfer of dissolved components [101].…”

Section: Dissolution Of Organic Mattermentioning

confidence: 99%

“…The dissolution of polar oil components in supercritical CO 2 was, however, enhanced in the presence of polar solvent additives like methanol [102]. In addition, it has been shown that supercritical CO 2 can partially dissolve the kerogen present in shale rocks [100,103]. The supercritical extraction efficiency of kerogen was found to be related to the mineralogical composition and microstructure of shale rocks and was higher for carbonate rich shales [102].…”

Section: Dissolution Of Organic Mattermentioning

confidence: 99%

Micro- and Macroscale Consequences of Interactions between CO2 and Shale Rocks

et al. 2020

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In carbon storage activities, and in shale oil and gas extraction (SOGE) with carbon dioxide (CO2) as stimulation fluid, CO2 comes into contact with shale rock and its pore fluid. As a reactive fluid, the injected CO2 displays a large potential to modify the shale’s chemical, physical, and mechanical properties, which need to be well studied and documented. The state of the art on shale–CO2 interactions published in several review articles does not exhaust all aspects of these interactions, such as changes in the mechanical, petrophysical, or petrochemical properties of shales. This review paper presents a characterization of shale rocks and reviews their possible interaction mechanisms with different phases of CO2. The effects of these interactions on petrophysical, chemical and mechanical properties are highlighted. In addition, a novel experimental approach is presented, developed and used by our team to investigate mechanical properties by exposing shale to different saturation fluids under controlled temperatures and pressures, without modifying the test exposure conditions prior to mechanical and acoustic measurements. This paper also underlines the major knowledge gaps that need to be filled in order to improve the safety and efficiency of SOGE and CO2 storage.

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“…SC-CO2 has competitive adsorption with CH4 and replaces the adsorbed natural gas. It is freely soluble in heavy oil and reduces the oil viscosity [4]. Additionally, SC-CO2 inhibits clay expansion in the reservoir and reduces the skin factor near the wellhole [5,6].…”

Section: Introductionmentioning

confidence: 99%