2020/12/23 by Suman Chakraborty, Chakraborty, Suman, Yixuan Sun +5
Chemical Engineering · Engineering · #Advanced Combustion Engine Technologies #Combustion and flame dynamics #FOS: Physical sciences #Fluid Dynamics (physics.flu-dyn) #Phase Equilibria and Thermodynamics
paper · pdf · doi:10.48550/arxiv.2012.12928
openalex publication_date 2020/12/23 · openalex created_date 2021/01/05 · openalex updated_date 2026/07/28
Understanding fluid phase behavior in high pressure and high temperature conditions is crucial for developing high-fidelity simulations of chemically reacting flows in liquid-fueled combustion systems. The study of vapor-liquid equilibrium (VLE) curves also forms an integral part of the design and modeling of the control processes in chemical and oil-gas industries. The main objective of this study was to develop data-driven models to predict VLE of Type III binary mixtures involving long-chained n-alkanes and nitrogen. Two data-driven models have been proposed in this study, each of which was competent in estimating VLE for the binary systems of C10/N2 and C12/N2, at pressures ranging up to 50-60 MPa. Both the models showed better performance (less average absolute percentage error) in predicting equilibrium pressure of the binary mixtures as compared to the VLE modeled using Peng-Robinson equation of state (PR-EOS). The data-driven models were also able to correctly trace the change in curvature of the vapor phase composition, close to the mixture critical point, at high pressures and temperatures-a feature of the n-alkane/nitrogen system VLE which the PR-EOS model fails to capture.