A transient nanoscale flow model for alkanes considering inhomogeneous flow properties and rough surfaces
•Density and viscosity models that characterize the properties of inhomogeneous flow are developed.•A transient numerical model that describes the transport behavior of alkanes in unsteady and steady stages is proposed.•Revealing the alkane flow behavior with the combined effect of nanoconfinement e...
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| Published in | Journal of molecular liquids Vol. 407; p. 125145 |
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| Main Authors | , , , , |
| Format | Journal Article |
| Language | English |
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Elsevier B.V
01.08.2024
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| Abstract | •Density and viscosity models that characterize the properties of inhomogeneous flow are developed.•A transient numerical model that describes the transport behavior of alkanes in unsteady and steady stages is proposed.•Revealing the alkane flow behavior with the combined effect of nanoconfinement effects and rough nanochannels.
The flow of alkanes within nanochannels holds significant scientific implications for biological, material, and oil field development. Existing models often overlook the combined effect of transient transport and rough surfaces under nanoconfinement conditions. In this study, we formulated an inhomogeneous density model controlled by wall energy based on molecular simulation results. Additionally, we constructed an inhomogeneous viscosity model by combining excess free energy, solvation energy, and cohesion energy using the Eyring equation. Integrating these models with the Weierstrass-Mandelbrot fractal function and a modified Navier-Stokes equation yielded a novel transient nanoscale flow model. We iteratively solved the model using the finite element method and confirmed model validity through comparisons with experimental data, molecular dynamics simulations, and existing models. Key findings indicated that surface roughness inhibited pressure drop deceleration caused by nanoconfinement. Conversely, rough surfaces and an inhomogeneous viscosity contributed to an increased pressure drop, moderated by slip effects. In the unsteady stage, the variation in flow enhancement rate was intricate and contingent on the combined action of rough surfaces and nanoconfinement effects at distinct times. Notably, the influence of inhomogeneous density on the flow enhancement rate initially amplified and then diminished, gradually dissipating over time. In the steady stage, inhomogeneous viscosity facilitated volumetric flux in smaller sizes (2 nm) but hindered it in larger sizes (10 nm). |
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| AbstractList | •Density and viscosity models that characterize the properties of inhomogeneous flow are developed.•A transient numerical model that describes the transport behavior of alkanes in unsteady and steady stages is proposed.•Revealing the alkane flow behavior with the combined effect of nanoconfinement effects and rough nanochannels.
The flow of alkanes within nanochannels holds significant scientific implications for biological, material, and oil field development. Existing models often overlook the combined effect of transient transport and rough surfaces under nanoconfinement conditions. In this study, we formulated an inhomogeneous density model controlled by wall energy based on molecular simulation results. Additionally, we constructed an inhomogeneous viscosity model by combining excess free energy, solvation energy, and cohesion energy using the Eyring equation. Integrating these models with the Weierstrass-Mandelbrot fractal function and a modified Navier-Stokes equation yielded a novel transient nanoscale flow model. We iteratively solved the model using the finite element method and confirmed model validity through comparisons with experimental data, molecular dynamics simulations, and existing models. Key findings indicated that surface roughness inhibited pressure drop deceleration caused by nanoconfinement. Conversely, rough surfaces and an inhomogeneous viscosity contributed to an increased pressure drop, moderated by slip effects. In the unsteady stage, the variation in flow enhancement rate was intricate and contingent on the combined action of rough surfaces and nanoconfinement effects at distinct times. Notably, the influence of inhomogeneous density on the flow enhancement rate initially amplified and then diminished, gradually dissipating over time. In the steady stage, inhomogeneous viscosity facilitated volumetric flux in smaller sizes (2 nm) but hindered it in larger sizes (10 nm). |
| ArticleNumber | 125145 |
| Author | Li, Changzhou Cao, Cheng Yong, Longquan Chang, Bin Yang, Zhao |
| Author_xml | – sequence: 1 givenname: Cheng surname: Cao fullname: Cao, Cheng email: caocheng@snut.edu.cn organization: Shaanxi University of Technology, Hanzhong, Shaanxi, 723001, China – sequence: 2 givenname: Bin surname: Chang fullname: Chang, Bin organization: State Key Laboratory of Continental Dynamics, Department of Geology, Northwest University, Xi’an, Shaanxi 710069, China – sequence: 3 givenname: Zhao surname: Yang fullname: Yang, Zhao organization: Shaanxi University of Technology, Hanzhong, Shaanxi, 723001, China – sequence: 4 givenname: Longquan surname: Yong fullname: Yong, Longquan organization: Shaanxi University of Technology, Hanzhong, Shaanxi, 723001, China – sequence: 5 givenname: Changzhou surname: Li fullname: Li, Changzhou organization: Shaanxi University of Technology, Hanzhong, Shaanxi, 723001, China |
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| Keywords | Nanochannel Inhomogeneous flow properties Transient flow Roughness surface Pressure drop |
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| Title | A transient nanoscale flow model for alkanes considering inhomogeneous flow properties and rough surfaces |
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