Method of quantifying the formation and retention of hydrocarbons in source rock

摘要

The method involves constructing a molecular model (MM) of a chemical macromolecular system by experimental characterizations of a sample of the system. A reaction scheme (SR) of heat maturation of the system is defined by submitting the model to a dynamic molecular simulation associated to a reactive force field. Hydrocarbons formed freely during the maturation are quantified by determining physico-chemical evolution (PC) of molecular mixture, directly defined by the scheme from the simulation, and by determining heat decomposition kinetics of the system by kinetics study (C) from the scheme. An independent claim is also included for a method for simulating genesis of a sedimentary basin.