Rigorous distillation dynamics simulations using a computer algebra
In the present paper, Mathematica, the famous computer algebra, is used to perform steady-state and dynamic simulations of a multi-component distillation column. In order to describe the vaporliquid equilibrium (VLE) relationships and to compute the vapor- and liquid-phase enthalpies, the Soave RedlichKwong equation of state (SRK EOS) is chosen. Rigorous modeling is performed where both mass and energy balance equations are solved. The Francis weir formula is selected to model column hydraulics. All steady-state results of the column simulations are found to agree very well with those obtained using HYSYS. Finally, some insight into column control is given through the application of both the slope and sensitivity criteria. The computer code, developed at the National Institute of Applied Sciences and Technology (INSAT) in Tunis by the authors, has served to teach several aspects of chemical engineering to senior undergraduate students at INSAT. Indeed, students gain from such code a good understanding of energy and mass balances, column dynamic and control, equations of state and VLE as well as some applied mathematics such as nonlinear algebraic equations, differential-algebraic systems of equations, and how they can be solved using computer algebra such as Mathematica. In addition, they learn about major process simulators such as HYSYS.  2009 Wiley Periodicals, Inc. Comput Appl Eng Educ 20: 193202, 2012
distillation mathematica srk eos applied thermodynamics simulation dynamic and control