Construction of bulk kerogen models Sample Clauses

Construction of bulk kerogen models. Initially, we adopt a representative model of the kerogen molecule and then a systematic method is used for the construction of realistic bulk kerogen configurations based on this molecule. The problem of molecular modelling of kerogen is long lasting, with the first efforts to elucidate the structure of kerogen dating back the 1980s. The first 2D molecules of kerogen were constructed by Behar and Vandenbrouke [14], followed by Siskin [15]. Later Siskins 2D model was converted into a 3D representation [16]. One last approach towards this direction was made by ▇▇▇▇▇▇▇ et al. [17-19]. For different types of kerogen at different maturation stages they developed small representative molecular structures and used them to construct bulk kerogen models and to study various of their properties. In our work, we adopt the mature type II molecule published by ▇▇▇▇▇▇▇ et al. since this type of kerogen is of interest in many industrially important shale fields. This molecule has been given the name II-D and is shown in Figure 2.