Emulsion Interface Model – From Science to Implementation

Abstract Using computational chemistry solutions, a practical software tool is developed to simulate emulsion system, thereby gaining comprehensive information from atomistic level to manage oil field emulsion. The software tool is a revolutionary emulsion interface model, established based on physical chemistry of surface tension and torque concepts, coupled with solution of interface bending rigidity with relation to interface energy. With solid theoretical foundation, the tool is reliable and proven for field application. The emulsion interface model simulates emulsion behavior in molecular dynamics to predict emulsion type and stability in the presence of various surface-active agents. It comprises of two key mathematical approaches. The first approach is used to assess the surface mechanical coefficients (surface tension and torque) to infer the type of emulsion formation: water-in-oil emulsion, oil-in-water emulsion or microemulsion. The second approach is used to estimate the emulsion interface bending rigidity to deduce interface stability. Digital oil model with accurate representation of atomistic components of actual crude oil is constructed as input to the simulation. The emulsion interface model is verified with both published data on pure oil emulsion system and with actual data on oilfield emulsion system from offshore field in Malaysia. Good agreement between simulations and field results is achieved. This indicates that the main characteristics and physics of emulsion behavior are captured correctly in the emulsion interface model. The duration for selecting effective surface-active agents to manage oilfield emulsion can be reduced up to 90%. The main advantage of the tool lies in its dual-functionality applicable for both emulsifier selection for enhanced oil recovery and demulsifier selection for production flow assurance. Ultimately, the application of emulsion interface model has successfully enabled step-change in oilfield emulsion management via an efficient and reliable scientific based digital platform. It is a powerful tool with potential to exclusively use simulation to design molecular composition of surface-active agent for novel chemical production.