Development of atomistic kerogen models and their applications for gas adsorption and diffusion: a mini-review

A Obliger, C Bousige, B Coasne, JM Leyssale - Energy & Fuels, 2023 - ACS Publications
With the emergence of shale gas, numerous atomic-scale models of kerogen have been
proposed in the literature. These models, which attempt to capture the structure, chemistry …

A comprehensive analysis of the pyrolysis effects on oil shale pore structures at multiscale using different measurement methods

J Lei, B Pan, Y Guo, YF Fan, L Xue, S Deng, L Zhang… - Energy, 2021 - Elsevier
It is useful in the clarifications of pore spaces at different scales in reservoir evaluations, and
also helpful to exploit shale oil resources. The analysis of pores and fractures can be used to …

Perspectives of gas adsorption and storage in kerogens and shales

KM Thomas - Energy & Fuels, 2023 - ACS Publications
Shale gas from unconventional resources will contribute to meeting the energy demand
during the transition to a net-zero carbon economy. In this minireview, the current status of …

Wetting Behavior of Kerogen Surfaces: Insights from Molecular Dynamics

N Sanchouli, S Babaei, M Kanduc, F Molaei… - Langmuir, 2024 - ACS Publications
In this study, the wettability of a kerogen surface, a key component of shale reservoirs, is
investigated by using molecular dynamics simulations. Specifically, we examined the impact …

Critical Practices for the Preparation and Analysis of Kerogen

MT Suekuni, PR Craddock, JT Douglas… - Energy & …, 2022 - ACS Publications
Knowledge of the chemical and structural properties of kerogen is needed for accurate
volumetric and economic appraisal of petroleum-bearing unconventional resources …

[HTML][HTML] Biomass transformation towards diamondoids and beyond

E Furimsky - Carbon Trends, 2023 - Elsevier
Adamantane (AD) is the first member in diamondoids family. It is an alkane of C 10 H 16
formula, having a cage structure consisting of three fused cyclohexane rings. It was formed …

Gas adsorption capacity of type-II kerogen at a varying burial depth

H Wu, L Wen, L Zhang, D Wang, N Li, M Yang - Energy & Fuels, 2022 - ACS Publications
Kerogen is the main host of methane in most shale formations. Although many studies
focused on its isothermal adsorption, the relationship between its methane adsorption …

Technical aspects of the pore structure in shale measured by small-angle and ultrasmall-angle neutron scattering: A mini review

J Zhang, G Cheng - Energy & Fuels, 2021 - ACS Publications
Small-angle neutron scattering (SANS) and ultrasmall-angle neutron scattering (USANS)
are special and powerful tools to study micro-, meso-, and macropores from 1 nm to 10 μm in …

A ReaxFF Potential for Modeling Organic Matter Degradation with Oxybromine Oxidants

J Hur, YN Abousleiman, KL Hull, MJA Qomi - ChemPhysChem, 2024 - Wiley Online Library
Oxidation of organic matter with oxybromine oxidants is ushering in a new era of enhanced
hydrocarbon recovery. While these potent reagents are being tested in laboratory and field …