An improved theoretical procedure for the pore-size analysis of activated carbon by gas adsorption

Amorphous carbon materials play a vital role in adsorbed natural gas(ANG) storage. One of the key issues in the more prevalent use of ANG is the limited adsorption capacity, which is primarily determined by the porosity and surface characteristics of porous materials. To identify suitable adsorbents, we need a reliable computational tool for pore characterization and, subsequently, quantitative prediction of the adsorption behavior. Within the framework of adsorption integral equation(AIE), the pore-size distribution(PSD) is sensitive to the adopted theoretical models and numerical algorithms through isotherm fitting. In recent years, the classical density functional theory(DFT) has emerged as a common choice to describe adsorption isotherms for AIE kernel construction. However,rarely considered is the accuracy of the mean-field approximation(MFA) commonly used in commercial software. In this work, we calibrate four versions of DFT methods with grand canonical Monte Carlo(GCMC) molecular simulation for the adsorption of CH_4 and CO_2 gas in slit pores at 298 K with the pore width varying from 0.65 to 5.00 nm and pressure from 0.2 to 2.0 MPa. It is found that a weighted-density approximation proposed by Yu(WDA-Yu) is more accurate than MFA and other non-local DFT methods. In combination with the trapezoid discretization of AIE, the WDA-Yu method provides a faithful representation of experimental data, with the accuracy and stability improved by 90.0% and 91.2%, respectively, in comparison with the corresponding results from MFA for fitting CO_2 isotherms. In particular, those distributions in the feature pore width range(FPWR)are proved more representative for the pore-size analysis. The new theoretical procedure for pore characterization has also been tested with the methane adsorption capacity in seven activated carbon samples.

High-resolution coupling of stratigraphic'sweet-spot'lithofacies and petrophysical properties:A multiscale study of Ordovician Goldwyer Formation,Western Australia

The identification of stratigraphic'sweet-spot'interval is significant in oil and gas formation evaluation.However,formation evaluation in macroscopic-scale merely provides low resolution and limited infor-mation,thus may lead to uncertainties in resource estimation.To accurately identify the'sweet-spot'intervals amongst heterogeneous lithofacies,we conducted a very high-resolution and quantitative analysis from in-situ macroscopic scale to laboratory microscopic scale on the Goldwyer formation of Canning Basin,Western Australia.The comprehensive advanced well logging and slim-compact micro imager(SCMI)technologies were synthetically applied in couple with the laboratory nanoscaled ex-periments.The results unveiled an extraordinarily large lithofacies heterogeneity between different rock intervals,with distinguished features shown in Goldwyer Ⅰ,Ⅱ,and Ⅲ members.The most favorable lithofacies is recognized as the laminated argillaceous thermally-matured organic matter(OM)-rich mudstone,which is widely developed in Goldwyer Ⅲ as the major attributor to'sweet-spot'intervals.Goldwyer Ⅱ is exclusively characterized by thick mudstone intervals(94.4%),interbedded with thin calcareous mudstones(5.5%),corresponding to a depositional environment of low-energy distal section of the outer ramp settings.Microscopically,the most favorable lithofacies in'sweet-spot'intervals develop numerous OM-/mineral nanopores for hydrocarbon storage.Illite-rich lithofacies develops abundant inter-particle pores from 2 to 17 nm that mainly contribute to pore volume for free gas storage capacity.OM-rich lithofacies with higher maturity have OM-pores with good connectivity,bearing large specific surface area that is beneficial for adsorbed gas capacity.