Abstract
A computationally-efficient numerical method that uses a Pseudo-Eulerian formulation (PEF) for the design calculation of unit operations is presented and validated. This method is applicable to any unit operation that can be modelled using a system of ODEs. Performing the design of a unit operation in the PEF is tenfold faster than with the conventional Eulerian formulation (EF). The mathematical equivalence between the PEF and the EF is demonstrated by proving that the solution of different unit operation design problems provides the same numerical result independently of the formulation. It is shown that reducing the computation of the unit operation design problems also speeds the computation time of a process design or an optimization flowsheet. Additionally, as opposed to other computationally efficient methods for unit operation design, the PEF allows the accurate estimation of the concentration or temperature profiles of complex unit operations such as a multiphase multicomponent reactor system.
Highlights
The simulation of chemical engineering processes is a necessary task in the assessment of the techno-economic performance of chemical engineering projects
Undesirable long times are greatly accentuated if the process has unit operations that are designed with ordinary differential equations (ODE)
Due to the relevance of ODE-based models for process design, this work will focus on reducing the computation time of ODE systems by proposing a method that derives an alternative formulation of the governing equations
Summary
The simulation of chemical engineering processes is a necessary task in the assessment of the techno-economic performance of chemical engineering projects. The computational capabilities of modern-day computers have been significantly enhanced over the past years, the computational resources may appear limited with respect to conceptual design and optimization superstructure frameworks. The complexity of these frameworks may lead to long overall computation times. Undesirable long times are greatly accentuated if the process has unit operations that are designed with ordinary differential equations (ODE). Due to the relevance of ODE-based models for process design, this work will focus on reducing the computation time of ODE systems by proposing a method that derives an alternative formulation of the governing equations
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