Selected publications resulting from this work Sample Clauses

Selected publications resulting from this work. 1) X. Xxxxxxxxxxx, X.X. Xxxxxxxxxx, X.X. Xxxxxxxxxxxxx and X.X. Xxxxxxxx, “Transport Properties of Shale Gas in Relation to Kerogen Porosity”, J. Phys. Chem. C, 122(11), 6166 – 6177 (2018). Abstract: Kerogen is a microporous amorphous solid, which is the major component of the organic matter scattered in the potentially lucrative shale formations hosting shale gas. A deeper understanding of the way kerogen porosity characteristics affect the transport properties of hosted gas is important for the optimal design of the extraction process. We employ molecular simulation techniques to investigate the role of porosity on the adsorption and transport behavior of shale gas in overmature type II kerogen found in many currently productive shales. Grand canonical Monte Carlo simulations were performed for the study of the adsorption of XX0, X0X0, n-C4H10, and CO2 at 298.15 and 398.15 K and a variety of pressures. The amount adsorbed is found to correlate linearly with the porosity of the kerogen. The diffusion of XX0, X0X0, and CO2, both as pure components and as components of the mixture, was investigated using equilibrium molecular dynamics simulations at temperatures of 298.15 and 398.15 K and pressures of 1 and 250 atm. In addition to the effect of temperature and pressure, the importance of limiting pore diameter (LPD), maximum pore diameter (MPD), accessible volume (Vacc), and accessible surface (Sacc) on the observed adsorbed amount and diffusion coefficient was revealed by qualitative relationships. The diffusion was found to be anisotropic and the maximum component of the diffusion coefficient to correlate linearly with LPD, indicating that the controlling step of the transport process is the crossing of the limiting pore region. The transport behavior of the pure compounds was compared with their transport properties in the mixture and it was found that the diffusion coefficient of each component is similar to the corresponding one under pure conditions. This observation agrees with earlier studies in different kerogen models comprising wider pores.
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Selected publications resulting from this work. 1. Expansion of the ADOR Strategy for the Synthesis of Zeolites: The Synthesis of IPC-12 from Zeolite UOV Kasneryk, V; Shamzhy, M; Opanasenko, M; Xxxxxxxx, XX; Xxxxxx, XX; Xxxxxxx, XX; Mayoral, A; Xxxxxxx, M; Xxxxx, J; Xxxxxx, RE ANGEWANDTE CHEMIE-INTERNATIONAL EDITION 56, 2017, 4324-4327
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