Molecular Dynamics Simulation and Experiment on the Microscopic Mechanism of the Effect of Wax Crystals on the Burst and Drainage of Foams

Abstract

In recent years, with the goal of “carbon peaking and carbon neutralization”, the CO2 flooding technology in carbon capture, utilization, and storage (CCUs) has been paid great attention to the oil fields. However, the CO2 flooding of crude oil may produce foams in the oil and gas separation process. In addition, the precipitation of wax components in crude oil might enhance the stability characteristics of these foams and lower the separator’s efficiency. Based on a crude oil depressurization foaming device, the influence of wax crystals on the bursting of oil foam was studied using simulated oil, and the microstructure of the wax crystal and foam liquid film was observed using freeze-etching and microscopic observation. In addition, the gas–liquid interface model of the wax oil was established by a molecular dynamics (MD) simulation to analyze the influence mechanism of wax crystals on foam drainage and gas diffusion among foams in the microlayer. The results show that the precipitation of wax crystals overall reduces the rate of defoaming and drainage and increases the grain diameter of the foam. The formation and growth of the wax crystal-shaped network impede the flow of liquid in the drainage channel and stabilize the foam. Moreover, it impedes the diffusion of CO2 among foams, inhibiting the bursting of the foams. The results of the combined experiments and MD simulation verify the accuracy and applicability of the molecular model, which further clarifies the effect of wax crystals on foam stability and its mechanism of action on foam film. These findings are a benchmark for the enhancement of defoaming and separation efficiency and a theoretical framework for future study and modeling.