Using pulsed-field-gradient (PFG) experiments, the sizes of the pores in ordered porous media can be estimated from the "diffraction" pattern that the signal attenuation curves exhibit. A different diffraction pattern is observed when the experiment is extended to a larger number (N) of diffusion gradient pulse pairs. Simulations to calculate signal values from arbitrary gradient waveforms are ...

The use of nanoporous anodic alumina (NAA) for the development of drug delivery systems has gained much attention in recent years. The release of drugs loaded inside NAA pores is complex and depends on the morphology of the pores. In this study, NAA, with different three-dimensional (3D) pore structures (cylindrical pores with several pore diameters, multilayered nanofunnels, and multilayered i...

In this study, Santa Barbara Amorphous (SBA-15) mesoporous silica has been functionalized with aminopropyl groups that were converted to propargyl-bearing moieties through the reaction with propargyl bromide. The material then underwent an efficient Cu(I)-catalyzed azide alkyne click reaction with sodium azide in order to obtain the corresponding triazole products. The covalent modification of ...

Abstract GeoChemFoam is an open-source OpenFOAM-based toolbox that includes a range of additional packages solve various flow processes from multiphase transport with interface transfer, to single-phase in multiscale porous media, reactive mineral dissolution. In this paper, we present novel solver for simulations on complex pore geometries, including microfluidic devices and micro-CT images, i...

A finite element heterogeneous multiscale method is proposed for solving the Stokes problem in porous media. The method is based on the coupling of an effective Darcy equation on a macroscopic mesh, with unknown permeabilities recovered from micro finite element calculations for Stokes problems on sampling domains centered at quadrature points in each macro element. The numerical method account...

A pore-scale model based on the lattice Boltzmann (LB) method is developed for multiphase reactive transport with phase transitions and dissolution-precipitation processes. The model combines the single-component multiphase Shan-Chen LB model [X. Shan and H. Chen, Phys. Rev. E 47, 1815 (1993)], the mass transport LB model [S. P. Sullivan et al., Chem. Eng. Sci. 60, 3405 (2005)], and the dissolu...