Hydrocarbon thermal cracking modeling by individualizing chemical classes of compounds, defining cracking reaction scheme, defining kinetic scheme, pyrolysis experiment and determining kinetic parameters and stoichiometric coefficients

摘要

Modeling of thermal cracking of hydrocarbon, comprises: constructing reaction schemes of thermal cracking of kerogen, individualizing the chemical classes; defining a primary cracking reaction scheme of the kerogen; defining a scheme of secondary cracking reaction; constructing a kinetic scheme by determining the kinetic parameters and stoichiometric coefficients of the reaction scheme; conducting pyrolysis experiments; determining the proportions of pyrolysis products using a simulation; determining the kinetic parameters and stoichiometric coefficients and modeling the thermal cracking. Modeling of thermal cracking of hydrocarbon, comprises: (A) constructing reaction schemes of thermal cracking of kerogen, individualizing the chemical classes of: water, hydrogen sulfide and carbon dioxide; 1-4 carbon fraction; saturated hydrocarbons with more than 14 carbon atoms (C14+ fraction); nitrogen, sulfur and oxygen compounds (NSO); thermally inert polyaromatic solid; kerogen 1-4; fraction of saturated hydrocarbons with 6-14 carbon atoms (C14- fraction), alkylated, preferably methylated; saturated hydrocarbons with more than 14 carbon atoms (C14+ fraction) containing saturated C14+, aromatic hydrocarbons having more than 14 carbon atoms (Aro 1) and aromatic hydrocabons having more than 14 carbon atoms and resulting from thermal cracking of different families of hydrocarbon (Aro 2 and Aro 3); solid fraction containing polyaromatic solid resulting from thermal cracking of the aromatic fraction, preferably thermally reactive polyaromatic solid (prechar) (B) defining a scheme of primary cracking reaction of the kerogen, where each of the reactants decomposes into mobile and immobile products according to a table given in the specification (C) defining a scheme of secondary cracking reaction of the immobile NSO, immobile C14+ Aro 1, immobile C14+ Aro 2, immobile C14+ Aro 3 and prechar, where each of the reactants decomposes into mobile and immobile products according to a table given in the specification (D) constructing a kinetic scheme by determining the kinetic parameters and stoichiometric coefficients associated with the reaction scheme (E) conducting pyrolysis experiments to determine the proportion of pyrolysis products to each of the families of compounds such as non-hydrocarbon gases like carbon dioxide, hydrogen sulfide and water, hydrocarbon gases comprising 1-4 carbon atoms, liquid hydrocarbons, NSO compounds soluble in polar solvents, NSO compounds soluble in saturated solvents and solid residues containing kerogen 1-4 and prechar (F) determining the proportions of pyrolysis products for each of the families using simulation based on the reaction schemes (G) determining the kinetic parameters and stoichiometric coefficients using a numerical inversion by minimizing the difference between the proportion of the simulated products and the proportion of the paralyzed products (H) and modeling the kerogen thermal cracking using the kinetic scheme. An independent claim is included for a basin modeling in which the quantities of hydrocarbons present in source rocks and reservoir rocks are estimated using the thermal cracking modeling.