Hydrocarbon generation from coal, extracted coal and bitumen rich coal in confined pyrolysis experiments

Li, Erting; Pan, Changchun; Yu, Shuang; Jiang, Xiaodong; Liu, Jinzhong

doi:10.1016/j.orggeochem.2013.09.004

Cited by 44 publications

(43 citation statements)

References 62 publications

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“…Numerous oil and kerogen pyrolysis experiments demonstrated that the relative concentration of aromatics to saturates increases rapidly with increasing oil-cracking (e.g., Horsfield et al, 1992;Hill et al, 2003;Pan et al, 2009;Li et al, 2013). In the present study, the ratio of methylnaphthalenes/(2×n-C 13 + methylnaphthalenes) is used as representative of the aromatics/saturates ratio.…”

Section: Stabilities Yields and Overlap Of Generation And Cracking Omentioning

confidence: 88%

“…Our experimental system permits 14 pressure vessels to be placed in a single furnace. The performance of the sample loading and pyrolysis apparatus was described previously (e.g., Pan et al, 2010Pan et al, , 2012Li et al, 2013).…”

Section: Confined Pyrolysis Experimentsmentioning

confidence: 99%

“…EASY%Ro values were used as a maturity parameter to indicate thermal stress in isothermal or non-isothermal confined pyrolysis experiments (e.g., Hill et al, 2003;Li et al, 2013).…”

Section: Kinetic Modeling For Generation Of Oil and Hydrocarbon Gasesmentioning

confidence: 99%

“…This phenomenon may occur because kerogen at first generates mainly polar products (NSO-compounds), which are further cracked into oil, gas and pyrobitumen with increasing thermal stress (e.g., Tissot and Welte, 1984;Erdmann and Horsfield, 2006). EASY%Ro values for the maximum amount of total liquid n-alkanes (Σn-C 8+ ) are in the range 1.18-1.21 for kerogen J23S3 and 1.31-1.35 for kerogen SS1S3 ( Li et al, 2013). EASY%Ro values for the maximum amounts of bitumen and oil are also relatively higher for kerogen SS1S3 than J23S3 ( Fig.…”

Section: Stabilities Yields and Overlap Of Generation And Cracking Omentioning

confidence: 99%

See 3 more Smart Citations

Petroleum generation kinetics for Permian lacustrine source rocks in the Junggar Basin, NW China

Xiang

Gao

et al. 2016

Organic Geochemistry

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Section: Stabilities Yields and Overlap Of Generation And Cracking Omentioning

confidence: 88%

Section: Confined Pyrolysis Experimentsmentioning

confidence: 99%

“…EASY%Ro values were used as a maturity parameter to indicate thermal stress in isothermal or non-isothermal confined pyrolysis experiments (e.g., Hill et al, 2003;Li et al, 2013).…”

Section: Kinetic Modeling For Generation Of Oil and Hydrocarbon Gasesmentioning

confidence: 99%

Section: Stabilities Yields and Overlap Of Generation And Cracking Omentioning

confidence: 99%

See 2 more Smart Citations

Petroleum generation kinetics for Permian lacustrine source rocks in the Junggar Basin, NW China

Xiang

Gao

et al. 2016

Organic Geochemistry

Self Cite

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“…It is valid to simulate the natural maturation process in the laboratory by increasing temperature during a short period of time [36]. Many thermal simulation experiments have been performed to demonstrate the mechanism between molecules active bond with products, as well as the energy characteristics in the coalification process [37][38][39][40]. The physical and chemical structural parameters were also discussed.…”

Section: Introductionmentioning

confidence: 99%

Molecular model and ReaxFF molecular dynamics simulation of coal vitrinite pyrolysis

Zhu

Wang

et al. 2015

J Mol Model

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Vitrinite in coal, the mainly generating methane maceral, plays an important role in hydrocarbon generation of coal. This study aims at obtaining products formation mechanism of vitrinite pyrolysis, and hence determining the chemical bond, molecular liquefaction activity, and reactions mechanism of methane and C2-4 during pyrolysis. The ReaxFF molecular dynamics (MD) simulation was carried out at temperature of 1500 K in order to investigate the mechanism of vitrinite pyrolysis. Initially, a minimum energy conformational structure model was constrained by a combination of elemental and carbon-13 nuclear magnetic resonance ((13)C NMR) literature data. The model analysis shows the chemical and physical parameters of vitrinite pyrolysis are broadly consistent with the experimental data. Based on the molecular model, ReaxFF MD simulations further provide information of unimolecule such as bond length, and chemical shift, and hence the total population and energy of main products. Molecules bond and pyrolysis fragments, based on active bond analyzed, revealed pyrolysis products of single vitrinite molecule with aliphatic C-C bond, especially ring and chain aliphatic as liquefaction activity. The molecular cell whose density is 0.9 g/cm(3) with lowest energy accords with the experimental density 1.33 g/cm(3). The content of main products after pyrolysis, classifying as CH4, H2O, and H2, was changed along with the increasing temperature. The gas molecule, fragments and generation pathways of CO2, H2, CH4, and C2H6 were also elucidated. These results show agreement with experimental observations, implying that MD simulation can provide reasonable explanation for the reaction processes involved in coal vitrinite pyrolysis. Thus the mechanism of coal hydrocarbon generation was revealed at the molecular level.

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Kinetic analysis of hydrocarbon generation based on saline lacustrine source rock and kerogen samples in the western Qaidam Basin, China

Shi

Chen

et al. 2018

Carbonates Evaporites

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Hydrocarbon generation from coal, extracted coal and bitumen rich coal in confined pyrolysis experiments

Cited by 44 publications

References 62 publications

Petroleum generation kinetics for Permian lacustrine source rocks in the Junggar Basin, NW China

Petroleum generation kinetics for Permian lacustrine source rocks in the Junggar Basin, NW China

Molecular model and ReaxFF molecular dynamics simulation of coal vitrinite pyrolysis

Kinetic analysis of hydrocarbon generation based on saline lacustrine source rock and kerogen samples in the western Qaidam Basin, China

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