Based on the Tao-Mason equation of state we have proposed a nonlinear ordinary differential equation that asymptotically converges to the compressibility factor of a pure substance or a mixture of chemical species. We have used the Dormand-Prince pair algorithm to solve the aforementioned differential equation in a purely numerical manner. Our method is devoid of the adverse convergence issues that are usually associated with the Newton-type solvers. We have provided two case studies concerning two industrially common compounds namely ethane and carbon dioxide, for the sake of exposition. For 96 points of different temperatures and pressures, our method succeeded at calculating the compressibility factor of carbon dioxide with an average absolute error of 6.53×10-5 and a maximum absolute error of 4.79×10-4. Unlike the previous root finding algorithms, we only need to perform “formal” polynomial deflations in our method, which circumvents the computation-intensive synthetic divisions, to obtain all compressibility factors offered by the Tao-Mason EOS.
Anderko Equation-of-state methods for the modelling of phase equilibria. Fluid Phase Equilibria. 1990; 61(1-2): 145-225.
Fatoorehchi H, Rach R, Tavakoli O, Abolghasemi H. An efficient numerical scheme to solve a quintic equation of state for supercritical fluids. Chemical Engineering Communications. 2015; 202(3): 402-7.
Fatoorehchi H, Abolghasemi H, Rach R, Assar M. An improved algorithm for calculation of the natural gas compressibility factor via the Hall‐Yarborough equation of state. The Canadian Journal of Chemical Engineering. 2014; 92(12): 2211-17.
Fatoorehchi H, Abolghasemi H, Rach R. An accurate explicit form of the Hankinson–Thomas–Phillips correlation for prediction of the natural gas compressibility factor. Journal of Petroleum Science and Engineering. 2014; 117: 46-53.
Kontogeorgis GM, Liang X, Arya A, Tsivintzelis I. Equations of state in three centuries. Are we closer to arriving to a single model for all applications?. Chemical Engineering Science: X. 2020; 7:100060.
Valderrama JO. The state of the cubic equations of state. Industrial & Engineering Chemistry Research. 2003; 42(8): 1603-18.
Lopez-Echeverry JS, Reif-Acherman S, Araujo-Lopez E. Peng-Robinson equation of state: 40 years through cubics. Fluid Phase Equilibria. 2017; 447:39-71.
Shojaeian A, Fatoorehchi H. Modeling solubility of refrigerants in ionic liquids using Peng Robinson-Two State equation of state. Fluid Phase Equilibria. 2019; 486: 80-90.
Kedge CJ, Trebble MA. Improvements to a new equation of state for pure components. Fluid Phase Equilibria. 2004; 217(2): 257-62.
Behar E, Simonet R, Rauzy E. A new non-cubic equation of state. Fluid Phase Equilibria. 1985; 21:237-55.
Kedge CJ, Trebble MA. Development of a new empirical non-cubic equation of state. Fluid phase equilibria. 1999; 158:219-28.
Fatoorehchi H, Mohammadi-Khanaposhtani M, Abolghasemi H. Erratum to “Performance assessment of Tao–Mason equation of state: Results for vapor–liquid equilibrium properties [J. Ind. Eng. Chem. 17 (4)(2011) 667–674]”. Journal of Industrial and Engineering Chemistry. 2020; 85: 308-9.
Yousefi F, Karimi H. Modification of Tao–Mason equation of state to ionic liquids. Ionics. 2012; 18(1):135-42.
Fatoorehchi H, Abolghasemi H. Finding all real roots of a polynomial by matrix algebra and the Adomian decomposition method. Journal of the Egyptian Mathematical Society. 2014; 22(3): 524-8.
Fatoorehchi H, Abolghasemi H. On computation of real eigenvalues of matrices via the Adomian decomposition. Journal of the Egyptian Mathematical Society. 2014; 22(1): 6-10.
Fatoorehchi H, Abolghasemi H, Zarghami R, Rach R, von Freeden S. A novel and computationally efficient algorithm for stability analysis of multi input-multi output process control systems. Korean Journal of Chemical Engineering. 2015; 32(9):1733-43.
Tao FM, Mason EA. Statistical‐mechanical equation of state for nonpolar fluids: prediction of phase boundaries. The Journal of chemical physics. 1994; 100(12): 9075-87.
Tsonopoulos C. An empirical correlation of second virial coefficients. AIChE Journal. 1974; 20(2): 263-72.
Jeffrey A. Analytic functions: Complex analysis and applications. CRC Press; 2005.
National Institute of Standards and Technology (NIST) database, 2016, accessed on 25 July 2022.
Fatoorehchi H, Rach R, Sakhaeinia H. Explicit Frost‐Kalkwarf type equations for calculation of vapour pressure of liquids from triple to critical point by the Adomian decomposition method. The Canadian Journal of Chemical Engineering. 2017; 95(11): 2199-208.
Fatoorehchi H, Rach R. Decomposition solution for nonlinear model describing diffusional growth of intermetallic layers. Acta Phys Pol A. 2021; 140(1): 91-6.
Fatoorehchi H, Gutman I, Abolghasemi H. A combined technique for computation of energy-effect of cycles in conjugated molecules. Journal of Mathematical Chemistry. 2015; 53(4):1113-25.
Fatoorehchi H, Rach R. An inversion-free method for computation of the square roots of real matrices. Romanian Journal of Physics. 2021; 66(7-8): 1-16.
Fatoorehchi, H. (2022). On the Solution of the Tao-Mason Equation of State by a Nonlinear Ordinary Differential Equation. Journal of Chemical and Petroleum Engineering, 56(2), 233-243. doi: 10.22059/jchpe.2022.346496.1399
MLA
Hooman Fatoorehchi. "On the Solution of the Tao-Mason Equation of State by a Nonlinear Ordinary Differential Equation", Journal of Chemical and Petroleum Engineering, 56, 2, 2022, 233-243. doi: 10.22059/jchpe.2022.346496.1399
HARVARD
Fatoorehchi, H. (2022). 'On the Solution of the Tao-Mason Equation of State by a Nonlinear Ordinary Differential Equation', Journal of Chemical and Petroleum Engineering, 56(2), pp. 233-243. doi: 10.22059/jchpe.2022.346496.1399
CHICAGO
H. Fatoorehchi, "On the Solution of the Tao-Mason Equation of State by a Nonlinear Ordinary Differential Equation," Journal of Chemical and Petroleum Engineering, 56 2 (2022): 233-243, doi: 10.22059/jchpe.2022.346496.1399
VANCOUVER
Fatoorehchi, H. On the Solution of the Tao-Mason Equation of State by a Nonlinear Ordinary Differential Equation. Journal of Chemical and Petroleum Engineering, 2022; 56(2): 233-243. doi: 10.22059/jchpe.2022.346496.1399