Chemical Engineering Numerical Analysis with R: Peng-Robinson Equation of State


  • Abdulhalim Musa Abubakar Department of Chemical Engineering, Modibbo Adama University, Nigeria
  • Ahmed Elshahhat Information Systems Department, Zagazig University, Egypt
  • Simisani Ndaba Department of Computer Science, University of Botswana, Botswana
  • Adegoke Taiwo Mobolaji Department of Mathematics and Statistics, First Technical University, Nigeria
  • Balasubramanian Thiagarajan Sri Lalithambigai Medical College Chennai, The Tamilnadu Dr MGR Medical University, India
  • E. M. Mansour PVT Lab and PVT Services Center, Egyptian Petroleum Research Institute, Egypt



R programming, Secant method, Peng-Robinson, chemical engineering, equations of state


Likely, many text on MATLAB, C++, FORTRAN and Python programming languages exist in chemical engineering libraries, discussing their applications for chemical engineering numerical analysis. R programming language, which has been in existence for more than 40 years is just evolving as a language of choice for data analytics in science and engineering. Here, it is shown that, numerical analysis with equations of state (EOS), especially the Peng-Robinson EOS, typically taught in undergraduate chemical engineering introductory courses can be solved with a developed or existing R source codes. Out of several other mathematical methods, including Fixed-point iteration, Regula-Falsi, Bisection and their modified/hybrid methods recently developed, only Secant and Newton’s method algorithm were followed to solve a sample problem by writing an R program. Although sufficient, in-depth study of the R language using some recommended manuals in this work can be a guide in implementing a solution with R for other numerical methods, for the same problem, as well as several other existing analytical and statistical chemical engineering problems out there.


Received: 16 January 2023 | Revised: 2 March 2023 | Accepted: 17 March 2023


Conflicts of Interest

The authors declare that they have no conflicts of interest to this work.




How to Cite

Abubakar, A. M., Elshahhat, A., Ndaba, S., Mobolaji, A. T. ., Thiagarajan, B., & Mansour, E. M. (2023). Chemical Engineering Numerical Analysis with R: Peng-Robinson Equation of State. Journal of Data Science and Intelligent Systems, 1(1), 25–44.



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