Abstract: The method according to the invention allows modelling of oil and the retention phenomenon in the source rock. Organic matter characterization experiments are used to establish the molecular model (MM) of the initial sample. The thermal cracking reaction of this molecular model is reproduced by dynamic molecular simulation computations with a reactive force field and validated by comparison with experimental data. The reaction mechanism permits a kinetic study by variation of the temperature parameter. The successive phase equilibrium assessments at various progress stages of the cracking reaction allow following the physicochemical evolution of the thermal maturation of the organic sample. The free hydrocarbons are not retained in the solid residue can be quantified throughout numerical modelling of the sample maturation.

Abstract: The method according to the invention allows the formation of oil and the retention phenomenon in the source rock to be modelled. Organic matter characterization experiments are used to establish the molecular model (MM) of the initial sample (E). The thermal cracking reaction of this molecular model is reproduced by dynamic molecular simulation computations with a reactive force field (RMD) and validated by comparison with experimental data. The reaction mechanism obtained (SR) allows to carry out a kinetic study (C) by variation of the temperature parameter. The phase equilibria (PES) of the reaction medium are determined at any time from dynamic simulation. The successive phase equilibrium assessments at various progress stages of the cracking reaction allow following the physicochemical evolution (PC) of the thermal maturation of the organic sample studied.

Abstract: At least one type of carbon material susceptible to generate a gas G is selected. Then, a model is built from the carbon isotopic composition of a gas P generated by thermal degradation of this type of carbon material. The model is calibrated by calibrating the kinetic effect independently of the precursor effect. In order to achieve that, pyrolyses are performed on compounds modeling the type of carbon material, said compounds being synthesized and labeled with 13C. Using said model, a carbon isotopic composition of gas P generated is estimated. Finally, it is determined whether gas G has been generated from the selected type of carbon material, by comparing a measured isotopic composition of gas G to the estimated isotopic composition.

Abstract: The invention relates to a method allowing to determine at least one petroleum characteristic of a geologic sediment sample, wherein the sample is heated in an oxidizing atmosphere, its temperature being successively raised to a first, then to a second value, said first value below 200° C. being reached very quickly, then maintained substantially constant for a certain time, said second value ranging between 600° C. and 850° C. being reached with a temperature gradient ranging between 1 and 30° C./min, from said first value. According to the invention, the amount of SO2 contained by the effluent resulting from said oxidizing heating is measured continuously, every moment of the heating period of said sample.

Abstract: At least one type of carbon material susceptible to generate a gas G is selected. Then, a model is built from the carbon isotopic composition of a gas P generated by thermal degradation of this type of carbon material. The model is calibrated by calibrating the kinetic effect independently of the precursor effect. In order to achieve that, pyrolyses are performed on compounds modeling the type of carbon material, said compounds being synthesized and labeled with 13C. Using said model, a carbon isotopic composition of gas P generated is estimated. Finally, it is determined whether gas G has been generated from the selected type of carbon material, by comparing a measured isotopic composition of gas G to the estimated isotopic composition.

Abstract: The method according to the invention allows the formation of oil and the retention phenomenon in the mother rock to be modelled. Organic matter characterization experiments are used to establish the molecular model (MM) of the initial sample (E). The thermal cracking reaction of this molecular model is reproduced by dynamic molecular simulation computations with a reactive force field (RMD) and validated by comparison with experimental data. The reaction mechanism obtained (SR) allows to carry out a kinetic study (C) by variation of the temperature parameter. The phase equilibria (PES) of the reaction medium are determined at any time from dynamic simulation. The successive phase equilibrium assessments at various progress stages of the cracking reaction allow following the physicochemical evolution (PC) of the thermal maturation of the organic sample studied.

Abstract: The invention relates to a method allowing to determine at least one petroleum characteristic of a geologic sediment sample, wherein the sample is heated in an oxidizing atmosphere, its temperature being successively raised to a first, then to a second value, said first value below 200° C. being reached very quickly, then maintained substantially constant for a certain time, said second value ranging between 600° C. and 850° C. being reached with a temperature gradient ranging between 1 and 30° C./min, from said first value. According to the invention, the amount of SO2 contained by the effluent resulting from said oxidizing heating is measured continuously, every moment of the heating period of said sample.

Abstract: Method for constructing a kinetic model allowing the mass of hydrogen sulfide produced by aquathermolysis within a rock containing crude oil to be estimated. The crude oil and the rock are described according to four chemical compound fractions: NSO fraction, aromatics fraction, resin fraction and insolubles fraction. A kinetic model describing the mass of hydrogen sulfide produced as a function of time, of temperature and of the evolution of the sulfur mass distribution in said fractions is then defined. In this kinetic model, the sulfur contained in the NSO and resin fractions generates hydrogen sulfide and is partly incorporated in the insolubles and aromatics fractions. The kinetic parameters of the model are then calibrated from aqueous pyrolysis experiments carried out in an inert and closed medium, while checking that all of the sulfur initially contained in the oil is entirely dispersed in all the fractions.