Computer simulation of the transformation of natural living matter into kerogen

Abstract

Thermodynamic simulation of the system living matter (algae, zooplankton, or green plants) + mineral matter (25% carbonates + 75% clay minerals) + standard seawater at temperatures and pressure corresponding to diagenesis indicates that kerogen can be synthesized, together with hydrocarbons and carbon dioxide, in the reaction mix. The removal of CO₂(g) and N₂(g) from the system is favorable for the reaction Δ₁C₂₉₂H₂₈₈O₁₂ (s; H/C = 0.99, O/C = 0.041) → Δ₂C₁₂₈H₆₈O₇ (s; H/C = 0.53, O/C = 0.055) + xСH₄(aq) + yCO₂(aq) + zH₂O, whose constant and stoichiometric coefficients were calculated based on the simulation results. It is demonstrated that a pressure increase is favorable, while a temperature increase is not, for the procedure of this reaction at P-T parameters of diagenesis: log K =–567 (20°C, 35 bar), 1170 (20°C, 200 bar),–1530 (20°C, 60 bar), and +1030 (20°C, 600 bar).