International Journal of Engineering

International Journal of Engineering

Modeling of Thermodynamic Processes for Assessing Hydrocarbon Systems at Depths Exceeding 5 km

Document Type : Special Issue on FPP

Authors
Department of Oil and Gas Geology, Saint-Petersburg Mining University of Empress Ekaterina II, St. Petersburg, Russia
Abstract
The discovery of oil reservoirs at great and ultra-great depths has necessitated a revision of existing concepts about the possibility of hydrocarbon generation and preservation under extremely high pressure–temperature conditions. This work analyzes geochemical approaches and basin modeling methods used for predicting hydrocarbon generation at great depths. It examines the influence of high temperatures and pressures, burial rate, phase transitions, and other factors on the formation and destruction of oil and gas. An analysis of deep hydrocarbon systems is performed, and the potential of thermodynamic modeling of fluid equilibrium compositions and the results of experiments on oil transformation under high P–T conditions are considered. A modern approach to assessing a high-organic-carbon (Domanik) formation is presented, which allows evaluation of hydrocarbon generation potential. The reasons why existing geochemical methods and basin modeling can yield inconclusive results for similar processes at great depths under extreme pressure–temperature conditions are identified. In particular, sources of uncertainty in hydrocarbon phase transitions are discussed, associated with a lack of experimental data for model calibration and the limitations of thermodynamic models beyond their validated ranges, among other factors.

Graphical Abstract

Modeling of Thermodynamic Processes for Assessing Hydrocarbon Systems at Depths Exceeding 5 km
Keywords

Subjects


1.    Dvoynikov MV, Sidorkin DI, Yurtaev SL, Grokhotov EI, Ulyanov DS. Drilling of deep and ultra-deep wells for the purpose of searching and exploration of new mineral deposits. Journal of Mining Institute, 2022; 258: 945-55. https://doi.org/10.31897/PMI.2022.55
2.    Prishchepa OM, Lutsky DS, Kireev SB, Sinitsa NV. Thermodynamic modeling as the basis for predicting phase states of hydrocarbon fluids at great and ultra-great depths. Journal of Mining Institute, 2024; 269: 815-32.
3.    Kontorovich AE, Burshtein LM, Gubin IA, Parfenova TM, Safronov PI. Deeply buried oil and gas systems of the Lower Paleozoic in the east of the Siberian Platform: Geological-geophysical characteristics and resource assessment of hydrocarbons. Journal of Mining Institute, 2024; 269: 721-37.
4.    Kosenkova NN, Syngaevsky PE, Khafizov SF. Review of the modern ideas about the hydrocarbon accumulation formation processes at great depth. Oil Industry Journal, 2022; (5): 6-12. https://doi.org/10.24887/0028-2448-2022-5-6-12
5.    Trushko VL, Rozanov AO, Saitgaleev MM, Petrov DN, Ilinov MD, Karmansky DA, Selikhov AA. Acoustic emission criteria for analyzing rock destruction and evaluating fractured reservoir formation at great depths. Journal of Mining Institute, 2024; 269: 848-58.
6.    Glazunov VV, Saitgaleev MM, Sekerina DD. Features of fracture formation in rock samples under comprehensive compression using acoustic emission. International Journal of Engineering Transactions C: Aspects, 2026; 39(6): 1382-89. https://doi.org/10.5829/ije.2026.39.06c.0
7.    Sekerina DD, Saitgaleev MM, Senchina NP, Glazunov VV, Kalinin DF, Kozlov MP, Ismagilova EI. The role of strike-slip faults and graben-rifts in controlling the oil and gas potential of deep horizons of the Russko-Chaselsky Ridge (West Siberian Province). Mining Science and Technology, 2025; 10(2): 109-17. https://doi.org/10.17073/2500-0632-2025-2-399
8.    Zou C, Du J, Xu C. Formation, distribution, resource potential, and discovery of Sinian–Cambrian giant gas field, Sichuan Basin, SW China. Petroleum Exploration and Development, 2014; 41(5): 543-54. https://doi.org/10.1016/S1876-3804(14)60063-X
9.    Wang Z, Wang T, Wen L, Hua J, Zhang B. Basic geological characteristics and accumulation conditions of Anyue giant gas field, Sichuan Basin. China Offshore Oil and Gas, 2014; 28(2): 45-52.
10.    Ma A. Kinetics of oil-cracking for different types of marine oils from Tahe Oilfield, Tarim Basin, NW China. Journal of Natural Gas Geoscience, 2016; 1(1): 35-43. https://doi.org/10.1016/j.jnggs.2016.03.001
11.    Li J, Zhang Z, Zhu G, Zhao K, Chi L, Wang P, Chen Y. Geochemical characteristics and the origin of superdeep condensates in Tarim Basin, China. ACS Omega, 2021; 6(11): 7275-85. https://doi.org/10.1021/acsomega.0c04932
12.    Cherdantsev GA, Zharkov AM. Prospects of oil and gas content of Upper Permian deposits in the southwestern Vilyuysk syneclise based on sedimentation environments and geochemical conditions. Journal of Mining Institute, 2021; 251: 698-711. https://doi.org/10.31897/PMI.2021.5.9
13.    Fialkovsky IS, Litvinova TE, Lutsky DS, Alexeev AA. Determination of parameters of thermodynamic stability constants of bromide complexes of rare earth metals. Arab Journal of Basic and Applied Sciences, 2022; 29(1): 1-9. https://doi.org/10.1080/25765299.2021.2015897
14.    Helgeson HC, Richard L, McKenzie WF, Norton DL, Schmitt A. A chemical and thermodynamic model of oil generation in hydrocarbon source rocks. Geochimica et Cosmochimica Acta, 2009; 73(3): 594-695. https://doi.org/10.1016/j.gca.2008.03.004
15.    Holland TJB, Powell R. An internally consistent thermodynamic data set for phases of petrological interest. Journal of Metamorphic Geology, 1998; 16(3): 309-44. https://doi.org/10.1111/j.1525-1314.1998.00140.x
16.    Nefedov Y, Gribanov D, Gasimov E, Peskov D, Han G, Vostrikov N, Pashayeva S. Development of Achimov deposits sedimentation model of a West Siberian field. Reliability: Theory & Applications, 2023; 18(S5): 441-48. https://doi.org/10.24412/1932-2321-2023-575-441-448
17.    Zharkov AM, Peskov DV, Martynov AV. Identification of hydrocarbon accumulation zones on ancient platforms in the northern Eurasian lithospheric plate. International Journal of Engineering Transactions B: Applications, 2025; 38(11): 2713-27. https://doi.org/10.5829/ije.2025.38.11b.19
18.    Peskov DV, Zharkov AM, Kalinin DF. Criteria for predicting the hydrocarbon potential of Riphean–Vendian deposits in the Mezen Syneclise. Russian Journal of Earth Sciences, 2025; 25(5): 1-14. https://doi.org/10.2205/2025ES001033
19.    Mozhegova SV, Gerasimov RS, Paizanskaya IL, Alferova AA, Kravchenko EM. Kinetic features of thermal transformation of organic matter in Bazhenov and Domanik formations. Journal of Mining Institute, 2024; 269: 765-76.
20.    Plotnikova IN, Ostroukhov SB, Pronin NV. Influence of oceanic anoxia on the conditions of Domanik deposit formation. Journal of Mining Institute, 2024; 269: 803-14.
21.    Bolshakova MA, Sitar KA, Kozhanov DD. Features of composition and properties of ancient oil-and-gas source deposits. Journal of Mining Institute, 2024; 269: 700-07.
22.    Prishchepa OM, Kireev SB, Nefedov YV, Martynov AV, Lutsky DS, Krykova TN, Sinitsa N, Xu R. Approaches to identifying deep accumulations of oil and gas in Russian basins. Frontiers in Earth Science, 2023; 11: 1-22. https://doi.org/10.3389/feart.2023.1192051
23.    Liu J, Jin Z, Ma A. Hydrocarbon phase in the deep Cambrian of the Tarim Basin. Petroleum Geology & Experiment, 2015; 37(6): 681-88. https://doi.org/10.11781/sysydz201506681
24.    Huang J, Deliao Y, Yu H. Petroleum geology features and accumulation controls for ultra-deep oil and gas reservoirs. Petroleum Geology & Experiment, 2016; 38(5): 635-40. https://doi.org/10.11781/sysydz201605635
25.    Sokolov BA, Khain VE. Geofluidodynamic model of petroleum generation in sedimentary basins. Moscow: Nauka; 1997: 5-9.
26.    Lukin AE. On the origin of oil and gas (geosynergetic concept). Geologicheskiy Zhurnal, 1999; 1: 30-42.
27.    Chebanenko II, Klochko VP, Tokovenko VS, Evdoshuk NI. Sedimentary-inorganic theory of oil and gas field formation. Geology of Oil and Gas, 2000; 5: 50-52.
28.    Iskaziev KO, Syngaevsky PE, Khafizov SF. Oil at great depths: Deposits of offshore fields in the Gulf of Mexico. Bulletin of the Oil and Gas Industry of Kazakhstan, 2017; 3(1): 3-26.
29.    Guliyev IS, Kerimov VYu, Osipov AV, Mustaev RN. Generation and accumulation of hydrocarbons at great depths of the Earth’s crust. Scientific Works of NIPI Neftegaz GNKAR, 2017; 1: 4-16.
30.    Pepper AS, Corvi PJ. Simple kinetic models of petroleum formation: Part I. Marine and Petroleum Geology, 1995; 12(3): 291-319. https://doi.org/10.1016/0264-8172(95)98381-E
31.    Gibbs JW. Thermodynamics. Statistical mechanics. Moscow: Nauka; 1982. 584 p.
32.    Johnson JW, Oelkers EH, Helgeson HC. SUPCRT92: Software for calculating thermodynamic properties from 1 to 5000 bar and 0 to 1000°C. Computers & Geosciences, 1992; 18(7): 899-947. https://doi.org/10.1016/0098-3004(92)90029-Q
33.    Gibbs JW. Thermodynamic works. Moscow: State Publishing House of Technical-Theoretical Literature; 1950. 492 p.
34.    Marakushev SA, Belonogova OV. Thermodynamic factors of natural selection in autocatalytic chemical systems. 2012; 444(1): 92-97.
35.    Tissot BP, Welte DH. Formation and distribution of oil. Moscow: Mir; 1981. 500 p.
36.    Mitra-Kirtley S, Mullins O, Pomerantz A. Sulfur and nitrogen chemical speciation in crude oils. Applying Nanotechnology to the Desulfurization Process in Petroleum Engineering; 2016. 31 p. https://doi.org/10.4018/978-1-4666-9545-0.ch002
37.    Wu J, Ma C, Zhang W, Chang W, Zhang Y, Shi Q. Molecular characterization of non-polar sulfur compounds in crude oil fractions. Fuel, 2023; 338: 127323. https://doi.org/10.1016/j.fuel.2022.127323
38.    Cheremisina OV, Ponomareva MA, Mashukova YA, Nasonova NA, Burtseva MD. Thermodynamic characteristics of the ion-exchange process involving light rare earth metals. Separations, 2025; 12(7): 177. https://doi.org/10.3390/separations1207177
39.    Craddock PR, Haecker A, Bake KD, Pomerantz AE. Universal curves describing chemical and physical evolution of Type II kerogen. Energy & Fuels, 2020; 34(12): 15217-33. https://doi.org/10.1021/acs.energyfuels.0c02376
40.    Danilevskiy SA, Sklyarova ZP, Trifachev YM. Geofluidic systems of the Timan-Pechora region. Ukhta: Timan-Pechora Research Center; 2003. 298 p.
41.    Huang H, Zhang S, Yang F, Zhao J, Zhang M, Li S. Natural hydrodesulfurization in deep petroleum systems. Geochimica et Cosmochimica Acta, 2023; 345: 125-42. https://doi.org/10.1016/j.gca.2023.01.015
42.    Almenov T, Zhanakova R, Sarybayev M, Shabaz DM. Selecting rational supports for underground mining workings. Civil Engineering Journal, 2025; 11(3). https://doi.org/10.28991/CEJ-2025-011-03-022
43.    Sloniec J, Kulisz M, Malecka-Dobrogowska M, Konurbayeva Z, Sobaszek L. Awareness of IT/AI impact on energy consumption in enterprises. Energies, 2025; 18(21): 5573.
44.    Demin V, Kalinin A, Tomilova N, Tomilov A, Akpanbayeva A, Shokarev D, Popov A. Advanced digital modeling of stress-strain behavior in rock masses. Civil Engineering Journal, 2025; 11(3): 1072-87. https://doi.org/10.28991/cej-2025-011-03-014
45.    Ma A. Kinetics of oil-cracking for different types of marine oils from Tahe Oilfield, Tarim Basin, NW China. Journal of Natural Gas Geoscience, 2016; 1(1): 35-43. https://doi.org/10.1016/j.jnggs.2016.03.001