A potential model for interaction between the Lennard–Jones cylindrical wall and fluid molecules

Zhang, Xuehua; Wang, Wenchuan; Jiang, Guangfeng

doi:10.1016/j.fluid.2004.01.005

Cited by 32 publications

(23 citation statements)

References 9 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The potential energy equation for cylindrical pores as shown in Figure 6 has been developed by Zhang et al16 as: …”

Section: Potential Energy Equationsmentioning

confidence: 99%

“…There is no pore‐size restriction specified in the development of Eq. (17)16 provided that a single layer of gas molecules can be accommodated in CNTs. For our current purposes, the CNT radii, R , are greater than 3.5 Å ( D p > 7.0 Å), providing sufficient space for the formation of a single CO 2 layer in a CNT, and consequently allowing the application of Eq.…”

Section: Potential Energy Equationsmentioning

confidence: 99%

“…In special cases, such as linear potential fields and time‐invariant boundary conditions, the Smoluchowski diffusion equation can be solved analytically through a similarity transformation. However, for systems with general potential fields and arbitrary boundary conditions, numerical methods such as the orthogonal collocation on finite elements (OCFE) method,8 are required for solution of Smoluchowski and Fokker‐Planck diffusion equations. Potential fields within nanopores can be approximately characterized using the Steele 10‐4‐3 potential energy equation for the slit shaped pores,12 and the 9‐3 potential energy equation and hypergeometric approach developed by Zhang et al16 for cylindrical shaped pores. Although these two potential equations are simplified approximations to complex potential fields, satisfactory results can be obtained by incorporating a solid‐fluid binary interaction parameter, k sf , into the models 4, 14, 15.…”

Section: Conclusion and Recommendationsmentioning

confidence: 99%

“…Potential fields within nanopores can be approximately characterized using the Steele 10‐4‐3 potential energy equation for the slit shaped pores,12 and the 9‐3 potential energy equation and hypergeometric approach developed by Zhang et al16 for cylindrical shaped pores. Although these two potential equations are simplified approximations to complex potential fields, satisfactory results can be obtained by incorporating a solid‐fluid binary interaction parameter, k sf , into the models 4, 14, 15.…”

Section: Conclusion and Recommendationsmentioning

confidence: 99%

See 3 more Smart Citations

Diffusion through ordered force fields in nanopores represented by Smoluchowski equation

Wang¹,

Zhu²,

Rudolph³

2009

AIChE Journal

View full text Add to dashboard Cite

in Wiley InterScience (www.interscience.wiley.com).The classical Einstein or Fick diffusion equation was developed in random force fields. When the equation is applied to gas transport through coal, significant discrepancies are observed between experimental and simulation results. The explanation may be that the random force field assumption is violated. In this article, we analyze molecular transport driven by both random and ordered (directional) forces in nanopores. When applied to CO 2 transport through cone-shaped carbon nano-tubes (CNTs) and Li þ doped graphite pores, computational results show that directional force fields may significantly affect porous media flow. Directional forces may be generated by potential gradients arising from a range of non-uniform characteristics, such as variations in the pore-sizes and in local surface compositions. On the basis of the simulation and experimental results, the Smoluchowski and Fokker-Planck equations, which account for the directional force fields, are recommended for diffusion through ordered force fields in nanopores.

show abstract

“…The potential energy equation for cylindrical pores as shown in Figure 6 has been developed by Zhang et al16 as: …”

Section: Potential Energy Equationsmentioning

confidence: 99%

Section: Potential Energy Equationsmentioning

confidence: 99%

Section: Conclusion and Recommendationsmentioning

confidence: 99%

Section: Conclusion and Recommendationsmentioning

confidence: 99%

See 2 more Smart Citations

Diffusion through ordered force fields in nanopores represented by Smoluchowski equation

Wang¹,

Zhu²,

Rudolph³

2009

AIChE Journal

View full text Add to dashboard Cite

show abstract

“…16 Then, many researchers paid much attention to the phenomena of adsorption and desorption of fluids in cylindrical pores. 17 Zhang et al 18 derived a completely analytical potential model for cylindrical pores and used the model to research the phase behavior of the Lennard-Jones (LJ) fluids.…”

Section: Introductionmentioning

confidence: 99%

Understanding the Effect of Corners: Adsorption of Fluids in Three Different Shapes of Nanopores

Shao¹,

Cao

et al. 2009

Chin. J. Chem.

Self Cite

View full text Add to dashboard Cite

Adsorption of nitrogen, hydrogen and methane in square and rectangular nanopores of various sizes has been studied by grand canonical Monte Carlo simulations (GCMC). By comparison of three kinds of potential models, it was found that the site-site model was more rational, which was therefore used in the work. Adsorption behavior of fluids in square, rectangular and cylindrical pores at T＝77 K was compared. Prewetting was found in the corners of the square and rectangular pores, which is absent in the cylindrical pores. Adsorption of hydrogen and methane in the three kinds of pores was compared. Among them, the adsorption uptake of hydrogen in the square pore is highest, especially at low pressures, because the effect of potential superposition in the "corners" makes an important contribution to hydrogen adsorption. The results indicate that the presence of corners has a profound effect upon the adsorption and phase behavior of fluids at low pressures.

show abstract

Understanding the diffusional tortuosity of porous materials: An effective medium theory perspective

Gao

Costa

Bhatia

2014

Chemical Engineering Science

View full text Add to dashboard Cite

A potential model for interaction between the Lennard–Jones cylindrical wall and fluid molecules

Cited by 32 publications

References 9 publications

Diffusion through ordered force fields in nanopores represented by Smoluchowski equation

Diffusion through ordered force fields in nanopores represented by Smoluchowski equation

Understanding the Effect of Corners: Adsorption of Fluids in Three Different Shapes of Nanopores

Understanding the diffusional tortuosity of porous materials: An effective medium theory perspective

Contact Info

Product

Resources

About