Experimental and molecular dynamics investigation on the pyrolysis mechanism of Chang 7 type-II oil shale kerogen

Efficient CH4/CO2 Gas Mixture Separation through Nanoporous Graphene Membrane Designs

(2021) Naiyer Razmara et al.   Energies

Thermal Transformation of Sulfur Species and Hydrogen Sulfide Formation in High-Pyrite-Containing Lacustrine Type-II Shale during Semiopen Pyrolysis

(2021) Weijiao Ma et al.   ENERGY & FUELS

Review of oil shale in-situ conversion technology

(2020) Zhiqin Kang et al.   APPLIED ENERGY

Generation and expulsion process of the Chang 7 oil shale in the Ordos Basin based on temperature-based semi-open pyrolysis: Implications for in-situ conversion process

(2020) Weijiao Ma et al.   JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING

Chemical structure changes of lacustrine Type-II kerogen under semi-open pyrolysis as investigated by solid-state 13C NMR and FT-IR spectroscopy

(2020) Lianhua Hou et al.   MARINE AND PETROLEUM GEOLOGY

A ReaxFF molecular dynamics study on the mechanism and the typical pyrolysis gases in the pyrolysis process of Longkou oil shale kerogen

(2020) Zhijun Zhang et al.   MOLECULAR SIMULATION

Geology of the Chang 7 Member oil shale of the Yanchang Formation of the Ordos Basin in central North China

(2019) Bai Yunlai et al.   PETROLEUM GEOSCIENCE

Kerogen pyrolysis model based on its chemical structure for predicting product evolution

(2019) Yulong You et al.   FUEL

Exploration progress and geochemical features of lacustrine shale oils in China

(2019) Min Wang et al.   JOURNAL OF PETROLEUM SCIENCE AND ENGINEERING

Comparing product distribution and desulfurization during direct pyrolysis and hydropyrolysis of Longkou oil shale kerogen using reactive MD simulations

(2019) Zhijun Zhang et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Role of bitumen and NSOs during the decomposition process of a lacustrine Type-II kerogen in semi-open pyrolysis system

(2019) Weijiao Ma et al.   FUEL

Role of biogeochemistry in efficient shale oil and gas production

(2019) Shikha Sharma et al.   FUEL

Molecular characterization of kerogen and its implications for determining hydrocarbon potential, organic matter sources and thermal maturity in Marcellus Shale

(2018) Vikas Agrawal et al.   FUEL

Multistep pyrolysis behavior of core-shell type hyperbranched azide copolymer: Kinetics and reaction mechanism via experiment and simulation

(2018) Guangpu Zhang et al.   FUEL

Experimental and dynamics simulation studies of the molecular modeling and reactivity of the Yaojie oil shale kerogen

(2018) Qing Wang et al.   FUEL

ReaxFF simulations of petroleum coke sulfur removal mechanisms during pyrolysis and combustion

(2018) Qifan Zhong et al.   COMBUSTION AND FLAME

A Review on Recent Synthetic Strategies and Pharmacological Importance of 1,3-Thiazole Derivatives

(2018) Swarna Gowri et al.   MINI-REVIEWS IN MEDICINAL CHEMISTRY

Evolution of gas and shale oil during oil shale kerogen pyrolysis based on structural characteristics

(2018) Yulong You et al.   JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS

Modeling of Bulk Kerogen Porosity: Methods for Control and Characterization

(2017) Manolis Vasileiadis et al.   ENERGY & FUELS

Reactive Molecular Dynamics Simulation of Kerogen Thermal Maturation and Cross-Linking Pathways

(2017) Gorakh Pawar et al.   ENERGY & FUELS

Thermodynamic and Structural Characterization of Bulk Organic Matter in Chinese Silurian Shale: Experimental and Molecular Modeling Studies

(2017) Liang Huang et al.   ENERGY & FUELS

Mechanism of kerogen pyrolysis in terms of chemical structure transformation

(2017) Dengguo Lai et al.   FUEL

Molecular dynamics simulations of Zhundong coal pyrolysis using reactive force field

(2017) Dikun Hong et al.   FUEL

The relationship between the humic degree of oil shale kerogens and their structural characteristics

(2017) Qian Wang et al.   FUEL

Structural characteristics and pyrolysis behaviors of huadian oil shale kerogens using solid-state 13C NMR, Py-GCMS and TG

(2017) Yulong You et al.   JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY

Evaluation of the macromolecular structure of Huadian oil shale kerogen using molecular modeling

(2016) Jianhui Tong et al.   FUEL

Primary understanding of non-isothermal pyrolysis behavior for oil shale kerogen using reactive molecular dynamics simulation

(2016) Yanan Qian et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Molecular dynamic investigation on hydrogen production by polycyclic aromatic hydrocarbon gasification in supercritical water

(2016) Hui Jin et al.   INTERNATIONAL JOURNAL OF HYDROGEN ENERGY

Initial Pyrolysis Mechanism of Oil Shale Kerogen with Reactive Molecular Dynamics Simulation

(2015) Xiaoping Liu et al.   ENERGY & FUELS

Three-Dimensional Structure of a Huadian Oil Shale Kerogen Model: An Experimental and Theoretical Study

(2015) Xiao-Hui Guan et al.   ENERGY & FUELS

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

Initial Chemical Reaction Simulation of Coal Pyrolysis via ReaxFF Molecular Dynamics

(2013) Mo Zheng et al.   ENERGY & FUELS

Three-Dimensional Structure of the Siskin Green River Oil Shale Kerogen Model: A Comparison between Calculated and Observed Properties

(2012) Anita M. Orendt et al.   ENERGY & FUELS

Experimental and computational studies on the average molecular structure of Chinese Huadian oil shale kerogen

(2012) Xin Ru et al.   JOURNAL OF MOLECULAR STRUCTURE

Combustion of an Illinois No. 6 coal char simulated using an atomistic char representation and the ReaxFF reactive force field

(2011) Fidel Castro-Marcano et al.   COMBUSTION AND FLAME

Evaluation of Structural Characteristics of Huadian Oil Shale Kerogen Using Direct Techniques (Solid-State13C NMR, XPS, FT-IR, and XRD)

(2011) Jianhui Tong et al.   ENERGY & FUELS

ReaxFF-lg: Correction of the ReaxFF Reactive Force Field for London Dispersion, with Applications to the Equations of State for Energetic Materials

(2011) Lianchi Liu et al.   JOURNAL OF PHYSICAL CHEMISTRY A

Thermal decomposition process in algaenan of Botryococcus braunii race L. Part 2: Molecular dynamics simulations using the ReaxFF reactive force field

(2008) Elodie Salmon et al.   ORGANIC GEOCHEMISTRY

Role of NSO compounds during primary cracking of a Type II kerogen and a Type III lignite

(2007) Françoise Behar et al.   ORGANIC GEOCHEMISTRY