Molecular simulations of oil adsorption and transport behavior in inorganic shale

Sui, Hongguang; Zhang, Fenyun; Wang, Ziqiang; Wang, Diansheng; Wang, Yudou

doi:10.1016/j.molliq.2020.112745

Cited by 55 publications

(15 citation statements)

References 81 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The factors influencing the adsorption capacity of the reservoir include the reservoir's physical properties, the mineral properties, and the oil component (Taheri-Shakib et al., 2019). In traditional adsorption simulation experiments, the samples are usually crushed into powders or use single mineral directly (Su et al., 2018; Sui et al., 2020). In these experiments, the possible influence of reservoir physical properties on adsorption capacity has been ignored (Szymula and Marczewski, 2002).…”

Section: Discussionmentioning

confidence: 99%

“…The influence of quartz and authigenic chlorite on reservoir quality. simulation experiments, the samples are usually crushed into powders or use single mineral directly (Su et al, 2018;Sui et al, 2020). In these experiments, the possible influence of reservoir physical properties on adsorption capacity has been ignored (Szymula and Marczewski, 2002).…”

Section: The Controlling Factors Of the Adsorption Capacity Of Chlorimentioning

confidence: 99%

See 1 more Smart Citation

Formation mechanism of authigenic chlorite in tight sandstone and its influence on tight oil adsorption, Triassic Ordos Basin, China

Zhou

et al. 2020

Energy Exploration & Exploitation

View full text Add to dashboard Cite

In this study, the formation mechanism of authigenic chlorite in tight reservoirs and its influence on the adsorption capacity to tight oil have been analyzed. The occurrence states of chlorite and the formation mechanism have been analyzed by thin section (TS) and field emission scanning electron microscopy (FE-SEM) measurements. Due to the alteration of volcanic rock fragments, the mudstone pressurized water, and the dissolution of early chlorite, the material source has been provided for the formation of chlorite. The formation time of chlorite with different occurrence states is in the following order: grain-coating chlorite → pore-lining chlorite → pore-lining chlorite in dissolved pores → rosette chlorite. Authigenic chlorite developed in the reservoirs has influenced the change of the reservoir quality in two respects. On the one hand, authigenic chlorite can protect the residual pores, improve the anti-compaction capacity of the reservoir, and provide certain inter-crystalline space. On the other hand, it can hinder pore space and inhibit throat, resulting in a decrease in the connectivity of pores and the increase in the heterogeneity of the reservoir. Tight oil absorbed by the chlorite is mainly in the form of the thin film and aggregates. Through in situ testing of environmental scanning electron microscope (ESEM) and energy dispersive spectrum (EDS), the adsorption capacity of chlorite with different occurrence states to tight oil, being in the following order: rosette chlorite > pore-lining chlorite > pore-lining chlorite in dissolved pores > grain-coating chlorite. Furthermore, the controlling factors on reservoir quality, the content of chlorite and content of Fe and K have been investigated, and the adsorption capacity of different chlorite types has been studied, which can provide guidance for analysis of the control factors on the difference in adsorption capacity of different occurrence states of chlorite to tight oil in tight reservoirs.

show abstract

Section: Discussionmentioning

confidence: 99%

Section: The Controlling Factors Of the Adsorption Capacity Of Chlorimentioning

confidence: 99%

Formation mechanism of authigenic chlorite in tight sandstone and its influence on tight oil adsorption, Triassic Ordos Basin, China

Zhou

et al. 2020

Energy Exploration & Exploitation

View full text Add to dashboard Cite

show abstract

“…( 11) is to determine the values of nw and l s . In this study, MDS data from Wang et al (2016a;2016c) and Sui et al (2020) are analyzed to obtain these two parameters in graphene, quartz, calcite and dolomite nanopores, respectively. Octane is used in their simulations to represent oil.…”

Section: Two-fluid System Model Of Shale Nanoporesmentioning

confidence: 99%

“…Although the slip length in quartz (~ 1.15 nm for a 5.24 nm nanopore) and calcite nanopores is small, ignoring the slip boundary conditions will lead to large errors. Similarly, Sui et al (2020) explored the octane flow mechanisms in dolomite nanopores. With the same temperature, pressure and driving force as the quartz nanopores, the slip length for a 5.7 nm dolomite nanopore is only 0.44 nm.…”

Section: Introductionmentioning

confidence: 99%

Stochastic-based liquid apparent permeability model of shale oil reservoir considering geological control

Wang

Ma³

et al. 2021

J Petrol Explor Prod Technol

View full text Add to dashboard Cite

Shale is a complex porous medium composed of organic matter (OM) and inorganic minerals (iOM). Because of its widespread nanopores, using Darcy’s law is challenging. In this work, a two-fluid system model is established to calculate the oil flow rate in a single nanopore. Then, a spatial distribution model of shale components is constructed with a modified quartet structure generation set algorithm. The stochastic apparent permeability (AP) model of shale oil is finally established by combining the two models. The proposed model can consider the effects of various geological controls: the content and grain size distribution of shale components, pore size distribution, pore types and nanoconfined effects (slip length and spatially varying viscosity). The results show that slip length in OM nanopores is far greater than that in iOM. However, when the total organic content is less than 0.3 ~ 0.4, the effect of the OM slip on AP increases first and then decreases with the decrease in mean pore size, resulting in that the flow enhancement in shale is much smaller than that in a single nanopore. The porosity distribution and grain size distribution are also key factors affecting AP. If we ignore the difference of porosity between shale components, the error of permeability estimation is more than 200%. Similarly, the relative error can reach 20% if the effect of grain size distribution is ignored. Our model can help understand oil transport in shale strata and provide parameter characterization for numerical simulation.

show abstract

“…Second, combination of GCMC and MD methods is imple-mented in some studies (e.g. by Zhou and Wang [23] to study carbon dioxide adsorption and diffusion in slit carbon pores and by Sui et al [24] to study flow characteristics of n-alkanes in dolomite pores).…”

mentioning

confidence: 99%

Linking Theoretical and Simulation Approaches to Study Fluids in Nanoporous Media: Classical Molecular Dynamics and Density Functional Theory

Vaganova,

Nesterova,

Kanygin

et al. 2021

Preprint

View full text Add to dashboard Cite

We propose an approach that links Density Functional Theory (DFT) and Molecular Dynamics (MD) simulation to study fluid behavior in nanopores in contact with bulk (macropores). It consists of two principal steps. First, the theoretical calculation of fluid composition and density distribution in nanopore under specified thermodynamic conditions using DFT. Second, MD simulation of the confined system with obtained characteristics. This method allows us to investigate both structural and dynamic properties of confined fluid at given bulk conditions and do not require computationally expensive simulation of bulk reservoir. In this work we obtain equilibrium density profiles of pure methane, ethane and carbon dioxide and their binary mixtures in slit-like nanopores with carbon walls. Good agreement of structures obtained by theory and simulation confirms the applicability of the proposed method. CONTENT I. Introduction 1 II. Methods

show abstract

Molecular simulations of oil adsorption and transport behavior in inorganic shale

Cited by 55 publications

References 81 publications

Formation mechanism of authigenic chlorite in tight sandstone and its influence on tight oil adsorption, Triassic Ordos Basin, China

Formation mechanism of authigenic chlorite in tight sandstone and its influence on tight oil adsorption, Triassic Ordos Basin, China

Stochastic-based liquid apparent permeability model of shale oil reservoir considering geological control

Linking Theoretical and Simulation Approaches to Study Fluids in Nanoporous Media: Classical Molecular Dynamics and Density Functional Theory

Contact Info

Product

Resources

About