Adsorption behavior of carbon dioxide and methane in bituminous coal:A molecular simulation study

The adsorption behavior of CO_2, CH_4 and their mixtures in bituminous coal was investigated in this study. First, a bituminous coal model was built through molecular dynamic(MD) simulations, and it was confirmed to be reasonable by comparing the simulated results with the experimental data. Grand Canonical Monte Carlo(GCMC)simulations were then carried out to investigate the single and binary component adsorption of CO_2 and CH_4with the built bituminous coal model. For the single component adsorption, the isosteric heat of CO_2 adsorption is greater than that of CH_4 adsorption. CO_2 also exhibits stronger electrostatic interactions with the heteroatom groups in the bituminous coal model compared with CH_4, which can account for the larger adsorption capacity of CO_2 in the bituminous coal model. In the case of binary adsorption of CO_2 and CH_4mixtures, CO_2 exhibits the preferential adsorption compared with CH_4 under the studied conditions. The adsorption selectivity of CO_2 exhibited obvious change with increasing pressure. At lower pressure, the adsorption selectivity of CO_2 shows a rapid decrease with increasing the temperature, whereas it becomes insensitive to temperature at higher pressure. Additionally, the adsorption selectivity of CO_2 decreases gradually with the increase of the bulk CO_2 mole fraction and the depth of CO_2 injection site.

Apatite fission-track study on the thermo-tectonic history of the Huainan Coalfield in Anhui Province, China: Tectonic implications for the potential coalbed methane resource

Coalbed methane (CBM) is a kind of burgeoning and enormously potential clean energy resource, and the temperature of the thermogenic CBM generation is close to that of the partial annealing zone (PAZ) of apatite fission tracks (AFT). In this study the thermo-tectonic history of the Huainan Coalfield and the potential CBM resource were studied and discussed by using the AFT method. The AFT data indicate that the apparent ages of AFT vary from 45.5 to 199.1 Ma. They are younger than the ages of their host strata (255–1800 Ma) except one sample, and the single-grain ages of AFT can be classified as a single age group for each sample. In combination with the geological setting, modeling results of the AFT ages, average lengths, and the thermal history based on the AFT single-grain ages and length distributions, some preliminary conclusions can be drawn as follows: (1) at least three thermo-tectonic events (in the periods of ～240, 140 and 80 Ma, respectively) have occurred in the study area since the Late Paleozoic. The occurrence of both the first (during 240–220 Ma) and second (during 160–120 Ma) thermo-tectonic events is possibly responsible for the establishment of the patterns of gas generation and reservoir formation. The second thermo-tectonic event also led to slight accumulation of hydrocarbons and generation of thermogenic gas; (2) the AFT ages of most coal-bearing strata lie between 50 and 70 Ma. They should represent the cooling ages and the ages of inferred uplift and denudation, as well as the possible CBM release history. Therefore, the maximum burial depth of coal-bearing strata and the denudation thickness of the overlying strata are over 3000 and 2000 m in the Upper Cretaceous and Paleogene series, respectively; and (3) subsequently, a spot of secondary biogenic and scarcely thermogenic gas generation occurred due to negligible sedimentation during the Neogene and Quaternary periods. Thus, it can be presumed that subsequent tectonism would destroy the CBM reservoir after its formation in the Huainan Coalfield, especially in its structural development region. These AFT data may be helpful for a better understanding of the thermo-tectonic history of the Huainan Coalfield, as well as of CBM generation, storage and release in the Huainan Coalfield.