Using large scale computer simulations and pore network models of porous rock, we investigate the e€ect of correlated heterogeneity on two-phase ̄ow through porous media. First, we review and discuss the experimental evidence for correlated heterogeneity. We then employ the invasion percolation model of two-phase ̄ow in porous media to study the e€ect of correlated heterogeneity on rate-control...

Molecular dynamics simulations were used to study the possible catalytic role of an unusual conserved water-filled pore structure in the family 48 cellulase enzyme Cel48A from Thermobifida fusca. It was hypothesized that this pore serves as the pathway for the water molecules consumed in the hydrolysis catalyzed by the enzyme to reach the active site in a continuous stream to participate in the...

Modified Moving Particle Semi-implicit (MMPS) is a particle-based method used to simulate pore-scale fluid flow through disordered porous media. We present a multi-GPU implementation of MMPS for hybrid CPU–GPU clusters using NVIDIA’s Compute Unified Device Architecture (CUDA). Message Passing Interface (MPI) functions are used to communicate between different nodes of the cluster and hence thei...

A network model that investigates electrical resistivity and capillary pressure curves of oil/water/rock systems for a full̄ooded cycle (primary drainage, imbibition and secondary drainage) is presented. This model uses a realistic pore geometry in the form of a grain boundary pore (GBP) shape and pore constrictions. The model also incorporates pore-scale displacement mechanisms and pore-scale w...

We develop a numerical algorithm to simulate nuclear magnetic resonance (NMR) measurements in the presence of constant magnetic field gradients. The algorithm is based on Monte Carlo conditional random walks in restricted and unrestricted space. Simulations can be performed of threedimensional (3D) porous media that include both arbitrary bimodal pore distributions and multi-phase fluid saturat...

We present two novel Volume-of-Solid (VoS) formulations for micro-continuum simulation of mineral dissolution at the pore-scale. The traditional VoS formulation (VoS- ψ ) uses a diffuse interface localization function to ensure stability and limit diffusion reactive surface. main limitation this is that accuracy strongly dependent on choice function. Our first improved (iVoS) divergence flux lo...

The study of pore level displacement of immiscible fluids has scientific appeal as well as many applications, notably in oil reservoir engineering and in subsurface environmental engineering. Pore network models have been used for numerical simulation of fluid displacement over relevant physical volume sizes. An accurate description of the mechanics of displacement could significantly improve t...