

Earth Science Frontiers ›› 2023, Vol. 30 ›› Issue (1): 281-295.DOI: 10.13745/j.esf.sf.2022.8.33-en
Special Issue: Research Articles (English)
LU Shuangfang1,2,3(
), WANG Jun3, LI Wenbiao1,2,*(
), CAO Yixin3, CHEN Fangwen3, LI Jijun3, XUE Haitao3, WANG Min3
Received:2022-07-10
Revised:2022-07-30
Online:2023-01-25
Published:2022-10-20
Contact:
LI Wenbiao
About author:LU Shuangfang, professor, doctoral supervisor; research on unconventional oil and gas geology and oil and gas geochemistry. E-mail: lushuangfang@qq.com
Supported by:LU Shuangfang, WANG Jun, LI Wenbiao, CAO Yixin, CHEN Fangwen, LI Jijun, XUE Haitao, WANG Min. Economic feasibility and efficiency enhancement approaches for in situ upgrading of low-maturity organic-rich shale from an energy consumption ratio perspective[J]. Earth Science Frontiers, 2023, 30(1): 281-295.
| Molecular formula and bond type | Number of bonds | ||
|---|---|---|---|
| Source kerogen | Residual kerogen | Light oil molecule | |
| Molecular formula | C1439H2360O86.3N4.3S1.4 | C305H253O4N0.92S0.92 | C8H15.4O0.026N0.03S0.015 |
| C-C | 1251 | 109 | 5.975 |
| Benzene-C | 40 | 20 | |
| C=C | 4 | 0.7 | |
| C-C triple bond | 0.3 | ||
| Aromatics | 96 | 42 | |
| C-N | 12 | 2 | 0.03 |
| C-O | 263 | 8 | 0.03 |
| C=O | 78 | 0.01 | |
| C-S | 2 | 2 | 0.0015 |
| Phenolic hydroxyl C-O | 20 | ||
| C-H | 1770 | 210 | 15.32 |
| Benzene-H | 80 | 42 | |
| N-H | 1 | 0.06 | |
| Disulfide bond | 1 | ||
| O-H | 65 | 0.01 | |
| S-H | 0.0015 | ||
| Phenol hydroxyl O-H | 20 | ||
| Total molecular bond energy (kJ/mol) | 1604190.18 | 241314.86 | 9120.35 |
| Molecular formula and bond type | Number of bonds | ||
|---|---|---|---|
| Source kerogen | Residual kerogen | Light oil molecule | |
| Molecular formula | C1439H2360O86.3N4.3S1.4 | C305H253O4N0.92S0.92 | C8H15.4O0.026N0.03S0.015 |
| C-C | 1251 | 109 | 5.975 |
| Benzene-C | 40 | 20 | |
| C=C | 4 | 0.7 | |
| C-C triple bond | 0.3 | ||
| Aromatics | 96 | 42 | |
| C-N | 12 | 2 | 0.03 |
| C-O | 263 | 8 | 0.03 |
| C=O | 78 | 0.01 | |
| C-S | 2 | 2 | 0.0015 |
| Phenolic hydroxyl C-O | 20 | ||
| C-H | 1770 | 210 | 15.32 |
| Benzene-H | 80 | 42 | |
| N-H | 1 | 0.06 | |
| Disulfide bond | 1 | ||
| O-H | 65 | 0.01 | |
| S-H | 0.0015 | ||
| Phenol hydroxyl O-H | 20 | ||
| Total molecular bond energy (kJ/mol) | 1604190.18 | 241314.86 | 9120.35 |
| Molecule type | Proportion(%) | Number of C-C | Number of C-H | Total molecular bond energy (kJ/mol) |
|---|---|---|---|---|
| Methane | 70 | 4 | 1652.60 | |
| Ethane | 20 | 1 | 6 | 2816.38 |
| Propane | 7 | 2 | 8 | 3980.16 |
| Butane | 2 | 3 | 10 | 5143.94 |
| Pentane | 1 | 4 | 12 | 6307.72 |
| Total molecular bond energy of wet gas (kJ/mol) | 2164.66 | |||
| Molecule type | Proportion(%) | Number of C-C | Number of C-H | Total molecular bond energy (kJ/mol) |
|---|---|---|---|---|
| Methane | 70 | 4 | 1652.60 | |
| Ethane | 20 | 1 | 6 | 2816.38 |
| Propane | 7 | 2 | 8 | 3980.16 |
| Butane | 2 | 3 | 10 | 5143.94 |
| Pentane | 1 | 4 | 12 | 6307.72 |
| Total molecular bond energy of wet gas (kJ/mol) | 2164.66 | |||
| Bond type | Carbon dioxide | Oxygen | Nitrogen |
|---|---|---|---|
| O=O | 1 | ||
| C=O | 2 | ||
| N-N triple bond | 1 | ||
| Total molecular bond energy (kJ/mol) | 1448.38 | 498.00 | 946 |
| Bond type | Carbon dioxide | Oxygen | Nitrogen |
|---|---|---|---|
| O=O | 1 | ||
| C=O | 2 | ||
| N-N triple bond | 1 | ||
| Total molecular bond energy (kJ/mol) | 1448.38 | 498.00 | 946 |
| Bond type | Dissociation energy (kJ/mol) |
|---|---|
| C-C | 337.48 |
| Benzene-C | 380.62 |
| C=C | 614.5 |
| C-C triple bond | 962.7 |
| Aromatics | 2060 |
| C-N | 292 |
| C-O | 349.58 |
| C=O | 723.87 |
| C-S | 272 |
| Phenolic hydroxyl C-O | 427.6 |
| C-H | 413.15 |
| Benzene-H | 460 |
| N-H | 391 |
| Disulfide bond | 268 |
| O-H | 463 |
| S-H | 339 |
| Phenol hydroxyl O-H | 356 |
| Bond type | Dissociation energy (kJ/mol) |
|---|---|
| C-C | 337.48 |
| Benzene-C | 380.62 |
| C=C | 614.5 |
| C-C triple bond | 962.7 |
| Aromatics | 2060 |
| C-N | 292 |
| C-O | 349.58 |
| C=O | 723.87 |
| C-S | 272 |
| Phenolic hydroxyl C-O | 427.6 |
| C-H | 413.15 |
| Benzene-H | 460 |
| N-H | 391 |
| Disulfide bond | 268 |
| O-H | 463 |
| S-H | 339 |
| Phenol hydroxyl O-H | 356 |
| Model parameter | Parameter value | Model parameter | Parameter value |
|---|---|---|---|
| Shale/sandstone length (m) | Sufficient | Shale thermal conductivity (W/(m·K)) | 1.0-2.4 (1.21) |
| Shale thickness (m) | 30 | Surrounding rock thermal conductivity (W/(m·K)) | 2.1-3.5 (3) |
| Sandstone thickness (m) | 500 | Shale specific heat (J/(kg·K)) | 1100-2000 (1141) |
| Wellbore radius (m) | 0.02/0.05/0.1/0.2/0.5 | Specific heat of surrounding rock (J/(kg·K)) | 762-1071.8 (890) |
| Well spacing (m) | 5/10/15/20/25 | Shale density (kg/m3) | 2100-2800 (2450) |
| Burial depth of the bottom of shale layer (m) | 1800 | Density of surrounding rock (kg/m3) | 1800-2800 (2470) |
| Ground surface temperature (℃) | 20 | Heating well temperature (℃) | 500/600/700/800/900 |
| TOC (%) | 1-20 (5) | Production well temperature (℃) | 200/250/300/350/400 |
| HI (mgHC/gTOC) | 800 | Geothermal gradient (℃/m) | 0.033 |
| Model parameter | Parameter value | Model parameter | Parameter value |
|---|---|---|---|
| Shale/sandstone length (m) | Sufficient | Shale thermal conductivity (W/(m·K)) | 1.0-2.4 (1.21) |
| Shale thickness (m) | 30 | Surrounding rock thermal conductivity (W/(m·K)) | 2.1-3.5 (3) |
| Sandstone thickness (m) | 500 | Shale specific heat (J/(kg·K)) | 1100-2000 (1141) |
| Wellbore radius (m) | 0.02/0.05/0.1/0.2/0.5 | Specific heat of surrounding rock (J/(kg·K)) | 762-1071.8 (890) |
| Well spacing (m) | 5/10/15/20/25 | Shale density (kg/m3) | 2100-2800 (2450) |
| Burial depth of the bottom of shale layer (m) | 1800 | Density of surrounding rock (kg/m3) | 1800-2800 (2470) |
| Ground surface temperature (℃) | 20 | Heating well temperature (℃) | 500/600/700/800/900 |
| TOC (%) | 1-20 (5) | Production well temperature (℃) | 200/250/300/350/400 |
| HI (mgHC/gTOC) | 800 | Geothermal gradient (℃/m) | 0.033 |
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