COSMO‐CAMPED – Solvent Design for an Extraction Distillation Considering Molecular, Process, Equipment, and Economic Optimization

Chemie Ingenieur Technik, vol. 95, pp. 416–426

Abstract

Abstract For an extraction process to be economically feasible, selecting a suitable solvent is imperative. This work extends the computer‐aided molecular and process design (CAMPD) framework COSMO‐CAMPD for solvent design in an extraction‐distillation process by replacing a pinch‐based process model with a hybrid, rate‐based extraction‐distillation process model. The resulting CAMPD framework is able to evaluate solvent candidates by investment costs in addition to operating costs in a fully predictive manner. In a case study for purifying acetone, we show that our framework's guided exploration of a vast design space yields solvents with superior performance compared to a benchmark solvent from the literature.

Authors 4

1. Lukas Polte Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University Fluid Process Engineering (AVT.FVT) Forckenbeckstraße 51 52074 Aachen Germany

   These authors contributed equally to this paper

2. Lukas Raßpe-Lange Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University Institute of Technical Thermodynamics Schinkelstraße 8 52062 Aachen Germany

   These authors contributed equally to this paper

3. Andreas Jupke Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University Fluid Process Engineering (AVT.FVT) Forckenbeckstraße 51 52074 Aachen Germany

4. Kai O. Leonhard corresponding Aachen

   RWTH Aachen University

   Affiliation as printed

   RWTH Aachen University Institute of Technical Thermodynamics Schinkelstraße 8 52062 Aachen Germany