Related papers: Lattice simulation method to model diffusion and N…
This paper proposes an effective phase diffusion method to analyze chemical exchange in nuclear magnetic resonance (NMR). The chemical exchange involves spin jumps around different sites where the spin angular frequencies vary, which leads…
This work presents an efficient numerical method based on spectral expansions for simulation of heat and moisture diffusive transfers through multilayered porous materials. Traditionally, by using the finite-difference approach, the problem…
Nuclear Magnetic Resonance (NMR) spectroscopy leverages nuclear magnetization to probe molecules' chemical environment, structure, and dynamics, with applications spanning from pharmaceuticals to the petroleum industry. Despite its utility,…
Nuclear Magnetic Resonance (NMR) spectrometry uses electro-frequency pulses to probe the resonance of a compound's nucleus, which is then analyzed to determine its structure. The acquisition time of high-resolution NMR spectra remains a…
The structure and dynamics of fluids confined in nanoporous media differ from those in bulk, which can be probed using NMR relaxation measurements. We here show, using atomistic molecular dynamics simulations of water in a slit nanopore,…
A pore-scale numerical model for reactive transport processes based on the Lattice Boltzmann method is used to study the dissolution-induced changes in hydrologic properties of a fractured medium and a porous medium. The solid phase of both…
In the past several years, convolutional neural networks (CNNs) have proven their capability to predict characteristic quantities in porous media research directly from pore-space geometries. Due to the frequently observed significant…
Size, morphology and distributions of pores in organic matters of shale matrix are discussed based on high resolution images from experiments in the literature. 150 nanoscale structures of the organic matters are then reconstructed by…
The time dependency of the diffusion coefficient of particles in porous media is an efficient probe of their geometry. The analysis of this quantity, measured e.g. by nuclear magnetic resonance (PGSE-NMR), can provide rich information…
We report on the development of an original mesoscopic lattice model to predict structural, dynamical and capacitive properties of carbon-carbon supercapacitors. The model uses input from molecular simulations, such as free energy profiles…
Carbon nanomembranes (CNMs) are nanometer-thin disordered carbon materials that are suitable for a range of applications, from energy generation and storage, through to water filtration. The structure-property relationships of these…
In recent years, convolutional neural networks (CNNs) have experienced an increasing interest in their ability to perform a fast approximation of effective hydrodynamic parameters in porous media research and applications. This paper…
We study a lattice model for the spreading of fluid films, which are a few molecular layers thick, in narrow channels with inert lateral walls. We focus on systems connected to two particle reservoirs at different chemical potentials,…
This work introduces a novel application for predicting the macroscopic intrinsic permeability tensor in deformable porous media, using a limited set of micro-CT images of real microgeometries. The primary goal is to develop an efficient,…
This note presents a simulation method for investigating the relationship between porosity and particle size distribution in porous media characterization. The method simulates particle packing based on particle size distributions,…
Porous structures of shales are reconstructed based on scanning electron microscopy (SEM) images of shale samples from Sichuan Basin, China. Characterization analyzes of the nanoscale reconstructed shales are performed, including porosity,…
We present the state-of-the-art theoretical modeling, molecular simulation, and coarse-graining strategies for the transport of gases and liquids in nanoporous materials (pore size 1-100 nm). Special emphasis is placed on the transport of…
Gas flow in shale is associated with both organic matter (OM) and inorganic matter (IOM) which contain nanopores ranging in size from a few to hundreds of nanometers. In addition to the noncontinuum effect which leads to an apparent…
The equations of motion in a macroscopically inhomogeneous porous medium saturated by a fluid are derived. As a first verification of the validity of these equations, a two-layer rigid frame porous system considered as one single porous…
Porous materials are used in many fields, including energy industry, agriculture, medical industry, etc. The generation of digital porous media facilitates the fabrication of real porous media and the analysis of their properties. The past…