Predicting thermochemical sulfate reduction reaction process and H2S generation in carbonate reservoirs using comprehensive kinetics modeling

Abstract

Thermochemical sulfate reduction (TSR) is a critical process controlling hydrogen sulfide (H2S) generation in carbonate reservoirs, posing significant economic and safety challenges for the oil and gas industry. This study develops a comprehensive model that integrates detailed thermal, burial, and hydrocarbon generation histories with key TSR kinetic parameters, such as reaction rate constants and activation energies, to predict TSR evolution and H2S generation accurately. A notable feature of the model is to separate and quantify the contributions of different hydrocarbon species (CH4, C2-5, C6-14, and C15+) to the overall TSR process, using the Arrhenius equation to simulate the temperature-dependent behavior of TSR for each hydrocarbon group. The model also accounts for the in-reservoir thermal cracking of heavier hydrocarbons into light hydrocarbons, ensuring predictions closely align with geological processes. Modeling results show that TSR reactions accelerate the depletion of oil and wet gas components. A large amount of CH4 is generated due to both kerogen thermal cracking and alteration of heavy hydrocarbon. Our modeling also allows for accurate prediction of TSR reactions as well as the timing and extent of H2S and CO2 generation over the history of a reservoir. Applications in the Puguang and Hetianhe gas fields validate the model's broad applicability and reliability, capturing extensive TSR activities and being consistent with the observed data. These results underscore the models' robustness in detailed predictions of TSR dynamics across diverse geological settings and its potential as a valuable tool for managing sour gas production, aiding in risk assessment and resource management.