Pore-scale modeling of effective diffusion coefficient of building materials

Author(s):  
Mazhar Hussain ◽  
En Tian ◽  
Tao-Feng Cao ◽  
Wen-Quan Tao
Geofluids ◽  
2017 ◽  
Vol 2017 ◽  
pp. 1-24 ◽  
Author(s):  
Rebecca Allen ◽  
Shuyu Sun

We compute effective properties (i.e., permeability, hydraulic tortuosity, and diffusive tortuosity) of three different digital porous media samples, including in-line array of uniform shapes, staggered-array of squares, and randomly distributed squares. The permeability and hydraulic tortuosity are computed by solving a set of rescaled Stokes equations obtained by homogenization, and the diffusive tortuosity is computed by solving a homogenization problem given for the effective diffusion coefficient that is inversely related to diffusive tortuosity. We find that hydraulic and diffusive tortuosity can be quantitatively different by up to a factor of ten in the same pore geometry, which indicates that these tortuosity terms cannot be used interchangeably. We also find that when a pore geometry is characterized by an anisotropic permeability, the diffusive tortuosity (and correspondingly the effective diffusion coefficient) can also be anisotropic. This finding has important implications for reservoir-scale modeling of flow and transport, as it is more realistic to account for the anisotropy ofboththe permeability and the effective diffusion coefficient.


Author(s):  
Pikee Priya ◽  
Kristopher L. Kuhlman ◽  
Narayana R. Aluru

Author(s):  
Hossein Fazeli ◽  
Veerle Vandeginste ◽  
Arash Rabbani ◽  
Masoud Babaei ◽  
Bagus Muljadi

2012 ◽  
Vol 550-553 ◽  
pp. 158-163 ◽  
Author(s):  
Zi Yuan Liu ◽  
Sheng Li Chen ◽  
Peng Dong ◽  
Xiu Jun Ge

Through the measured effective diffusion coefficients of Dagang vacuum residue supercritical fluid extraction and fractionation (SFEF) fractions in FCC catalysts and SiO2model catalysts, the relation between pore size of catalyst and effective diffusion coefficient was researched and the restricted diffusion factor was calculated. The restricted diffusion factor in FCC catalysts is less than 1 and it is 1~2 times larger in catalyst with polystyrene (PS) template than in conventional FCC catalyst without template, indicating that the diffusion of SFEF fractions in the two FCC catalysts is restricted by the pore. When the average molecular diameter is less than 1.8 nm, the diffusion of SFEF fractions in SiO2model catalyst which average pore diameter larger than 5.6 nm is unrestricted. The diffusion is restricted in the catalyst pores of less than 8 nm for SFEF fractions which diameter more than 1.8 nm. The tortuosity factor of SiO2model catalyst is obtained to be 2.87, within the range of empirical value. The effective diffusion coefficient of the SFEF fractions in SiO2model catalyst is two orders of magnitude larger than that in FCC catalyst with the same average pore diameter. This indicate that besides the ratio of molecular diameter to the pore diameter λ, the effective diffusion coefficient is also closely related to the pore structure of catalyst. Because SiO2model catalyst has uniform pore size, the diffusion coefficient can be precisely correlated with pore size of catalyst, so it is a good model material for catalyst internal diffusion investigation.


2016 ◽  
Vol 14 (4) ◽  
pp. 1800-1807 ◽  
Author(s):  
Joelson Kalil Coelho ◽  
Mariana Dias Pena ◽  
Oldrich Joel Romero

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