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1.
Molecules ; 29(2)2024 Jan 18.
Artículo en Inglés | MEDLINE | ID: mdl-38257388

RESUMEN

A new approach is presented in this paper for the dynamic modeling of the chemical and isotopic evolution of C1-3 during the hydrocarbon generation process. Based on systematic data obtained from published papers for the pyrolysis of various hydrocarbon sources (type I kerogen/source rock, type II kerogen/source rock, type III kerogen/source rock, crude oil, and asphalt, etc.), the empirical evolution framework of the chemical and isotopic composition of C1-3 during the hydrocarbon generation process was built. Although the empirical framework was built only by fitting a large amount of pyrolysis data, the chemical and isotopic composition of C1-3 derived from the pyrolysis experiments all follow evolution laws, convincing us that it is applicable to the thermal evolution process of various hydrocarbon sources. Based on the simplified formula of the isotopic composition of mixed natural gas at different maturities (δ13Cmixed), δ13Cmixed = X×niA×δ13CiA+Y×niB×δ13CiBX×niA+Y×niB, it can be derived that the cumulative isotopic composition of alkane generated in a certain maturity interval can be expressed by the integral of the product of the instantaneous isotopic composition and instantaneous yield at a certain maturity point, and then divided by the cumulative yield of alkane generated in the corresponding maturity interval. Thus, the cumulative isotopic composition (A(X)), cumulative yield (B(X)), instantaneous isotope (C(X)), and instantaneous yield (D(x)) in the dynamic model, comply with the following formula during the maturity interval of (X0~X). A(X) = ∫X0XCX×DXdxB(X), where A(X) and B(X) can be obtained by the fitting of pyrolysis data, and D(x) can also be obtained from the derivation of B(X). The dynamic model was applied on the pyrolysis data of Pingliang Shale to illustrate the quantitative evolution of the cumulative yield, instantaneous yield, cumulative isotope, and instantaneous isotope of C1-3 with increasing maturity. The dynamic model can quantify the yield of methane, ethane, and propane, as well as δ13C1, δ13C2, and δ13C3, respectively, during the hydrocarbon generation process. This model is of great significance for evaluating the natural gas resources of hydrocarbon source rock of different maturities and for identifying the origin and evolutionary process of hydrocarbons by chemical and isotopic data. Moreover, this model provides an approach to study the dynamic evolution of the isotope series of C1-3 (including reversed isotopic series), which is promising for revealing the mechanism responsible for isotopic reversal when combined with post-generation studies.

2.
ACS Omega ; 8(19): 16561-16569, 2023 May 16.
Artículo en Inglés | MEDLINE | ID: mdl-37214718

RESUMEN

The geological sequestration of CO2 in coal seams holds significant implications for coalbed methane development and greenhouse gas mitigation. This paper examines the principles, influencing factors, and evaluation methods for geological CO2 sequestration in coal seams by analyzing relevant domestic and international findings. Suitable geological conditions for CO2 sequestration include burial depths between 300 and 1300 m, permeability greater than 0.01 × 10-3 µm2, caprock and floor strata with water isolation capabilities, and high-rank bituminous coal or anthracite with low ash yield. Geological structures, shallow freshwater layers, and complex hydrological conditions should be avoided. Additionally, the engineering conditions of temperature, pressure, and storage time for CO2 sequestration should be given special attention. The feasibility evaluation of CO2 geological storage in coal seams necessitates a comprehensive understanding of coalfield geological factors. By integrating the evaluation principles of site selection feasibility, injection controllability, sequestration security, and development economy, various mathematical models and "one vote veto" power can optimize the sequestration area and provide recommendations for rational CO2 geological storage layout.

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