Abstract
Shale gas, as a promising alternative energy source, has received considerable attention because of its broad resource base and wide distribution. The establishment of shale models that can accurately describe the composition and structure of shale is essential to perform molecular simulations of gas adsorption in shale reservoirs. This Review provides an overview of shale models, which include organic matter models, inorganic mineral models, and composite shale models. Molecular simulations of gas adsorption performed on these models are also reviewed to provide a more comprehensive understanding of the behaviors and mechanisms of gas adsorption on shales. To accurately understand the gas adsorption behaviors in shale reservoirs, it is necessary to be aware of the pore structure characteristics of shale reservoirs. Thus, we also present experimental studies on shale microstructure analysis, including direct imaging methods and indirect measurements. The advantages, disadvantages, and applications of these methods are also well summarized. This Review is useful for understanding molecular models of gas adsorption in shales and provides guidance for selecting experimental characterization of shale structure and composition.