Dr. Vipasha Soni's Talk

Dec 01, 2011 - 16:00

Dec 01, 2011 - 17:00

Creativity Hall Room 118 Chemical Eng Department.

Seminars

Dr. Vipasha Soni Senior Project Engineer BASF SE Germany

Abstract This presentation shows the development and application of a general model-based design framework for the simultaneous design of processes and products. Products in this case are referred to structured materials that assist the process by enhancing their performance. Conventionally most process-product design problems employ an iterative trial and error experiment-based procedure. Since experiments are usually expensive and time consuming the search space for optimal design is limited. Applying computer-aided model-based framework has the potential to save time and expenses and widen the search domain for the design alternatives for the process and the products. The key factors for the simultaneous design of the processes and the assisting structured materials are the dependence of the process performance on the properties of the assisting structured material and the dependence of the assisting structured material properties on their microscopic structures. Thus properties play a central role in the simultaneous process-product design. It is observed that separating the constitutive equations representing the properties of the assisting structured material from the process model can reduce the computational complexity of the design problem by not having to solve multilevel models (macro-level equations representing the process and micro-level equations representing the structured material) together. This is achieved by employing the reverse algorithm that first defines the design targets in terms of properties of the assisting structured material corresponding to a desired process performance (stage 1) and then determine structured materials that match the property targets (stage 2). In this way the process model does not need a property model for the structured material since the properties are the unknown variables in stage 1. Once the values for the property targets are obtained from the first stage structured materials corresponding to these properties can be found using property models that relate the properties to the microscopic structure of the structured materials. The application of molecular modeling in generating property data for the assisting structured materials as a function of the microscopic structure of the structured materials has been investigated and found to add a new dimension to the simultaneous process-product design problem. It has been possible to generate very useful property data through this option. The application for the model-based design framework has been illustrated through case studies involving membrane-based separation processes. In particular membrane based gas separation have been illustrated in this presentation. The design framework is however general enough to be applicable to other chemical process and product design problems.All are cordially invited