A Simple Molecular Kerogen Pore-Network Model for Transport Simulation in Condensed Phase Digital Source-Rock Physics

Novel molecular simulation process design of adsorption in realistic shale kerogen spherical pores

(2016) Bo Zhou et al.   FUEL

Facilitated Diffusion of Methane in Pores with a Higher Aromaticity

(2016) Yuanli Hu et al.   Journal of Physical Chemistry C

Imaging pores in sedimentary rocks: Foundation of porosity prediction

(2016) Kitty L. Milliken et al.   MARINE AND PETROLEUM GEOLOGY

Realistic molecular model of kerogen’s nanostructure

(2016) Colin Bousige et al.   NATURE MATERIALS

Multi-scale Analysis of Gas Transport Mechanisms in Kerogen

(2016) Rui Kou et al.   TRANSPORT IN POROUS MEDIA

Activated desorption at heterogeneous interfaces and long-time kinetics of hydrocarbon recovery from nanoporous media

(2016) Thomas Lee et al.   Nature Communications

Nanostructural control of methane release in kerogen and its implications to wellbore production decline

(2016) Tuan Anh Ho et al.   Scientific Reports

Effect of Chain Length and Pore Accessibility on Alkane Adsorption in Kerogen

(2015) Kerstin Falk et al.   ENERGY & FUELS

Optimized molecular reconstruction procedure combining hybrid reverse Monte Carlo and molecular dynamics

(2015) Colin Bousige et al.   JOURNAL OF CHEMICAL PHYSICS

Transport of Multicomponent Hydrocarbon Mixtures in Shale Organic Matter by Molecular Simulations

(2015) Julien Collell et al.   Journal of Physical Chemistry C

Subcontinuum mass transport of condensed hydrocarbons in nanoporous media

(2015) Kerstin Falk et al.   Nature Communications

Molecular Simulation of Bulk Organic Matter in Type II Shales in the Middle of the Oil Formation Window

(2014) Julien Collell et al.   ENERGY & FUELS

Molecular Modeling of the Volumetric and Thermodynamic Properties of Kerogen: Influence of Organic Type and Maturity

(2014) Philippe Ungerer et al.   ENERGY & FUELS

Digital rock physics benchmarks—part II: Computing effective properties

(2012) Heiko Andrä et al.   COMPUTERS & GEOSCIENCES

Digital rock physics benchmarks—Part I: Imaging and segmentation

(2012) Heiko Andrä et al.   COMPUTERS & GEOSCIENCES

Single species transport and self diffusion in wide single-walled carbon nanotubes

(2012) T. Mutat et al.   JOURNAL OF CHEMICAL PHYSICS

Molecular modeling of carbon dioxide transport and storage in porous carbon-based materials

(2012) Mahnaz Firouzi et al.   MICROPOROUS AND MESOPOROUS MATERIALS

Lattice Boltzmann Method for Simulation of Shale Gas Transport in Kerogen

(2012) Ebrahim Fathi et al.   SPE JOURNAL