Emmanouil Papadakis

Sustainable Chemical Process Development through an Integrated Framework

Abstract This paper describes the development and the application of a general integrated framework based on systematic model-based methods and computer-aided tools with the objective to achieve more sustainable process designs and to improve the process understanding. The developed framework can be applied to a wide range of problems, including the design of new processes as well as retrofit of existing batch-continuous production systems. The overview of the framework together with results from two case studies is presented to highlight the key aspects and the applicability of the framework. These case studies involve multiphase reaction systems for the synthesis of active pharmaceutical ingredients.

Model-based design and analysis of glucose isomerization process operation

Abstract The application of model-based methods for design and analysis of operational improvements of an industrial glucose isomerization (GI) process is highlighted. First, a multi-scale mathematical model representing important phenomena encountered in the reaction system of a glucose isomerization reactor is developed. Next, model analysis, model identification and model validation based on available reactor operational data are performed. The reactor model is found to describe accurately important phenomena, such as, reaction kinetics, enzyme decay and internal diffusion of the substrate in the enzymatic pellet as a function of the temperature, thereby confirming that the model is ready for use in design-analysis studies. Operation of the GI process is then analyzed in a single reactor and based on this, the reactor model is used as a building block to represent the operation of a GI reactor plant consisting of 10–20 reactors in parallel. The design of the GI plant operation is evaluated through the analysis of simulated results of different operational scenarios.

Model-Based Analysis and Efficient Operation of a Glucose Isomerization Reactor Plant

Abstract The application of computer-aided model based methods within an integrated systematic framework is illustrated with the objective to assist the multi-purpose pharmaceutical/biochemical industry to systematically solve the complex problems that are experienced when aiming at improving the process efficiency. The objective of this study is the application of the developed framework on an industrial case study of a glucose isomerization (GI) reactor plant that is part of a corn refinery, with the objective to improve the productivity of the process. Therefore, a multi-scale reactor model is developedfor use as a building block for the GI reactor plant simulation. An optimal operation strategy is proposed on the basis of the simulation results.

Application of the Generic Modelling Template Approach to Unsaturated Fatty Acid Oxidation and Crystallization Systems

Abstract In this work, a couple of applications of the template-based approach for model development are presented. The computer-aided template concept has been developed based on a model decomposition technique and has been implemented as a software tool, which provides a user-friendly interface for following the modelling workflow steps, guidance through the steps, as well as providing additional information and comments. The application of the tool is highlighted with two case studies: oxidation of unsaturated acid with hydrogen peroxide and modelling of a crystallization operation for the paracetamol-ethanol system.