Computer Aided Chemical Engineering, p. 495-500
DOI: 10.1016/s1570-7946(09)70083-5
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The objective of this paper is to present a novel computer-aided model-based framework for product-process design that also includes multiscale modelling features. To develop this framework, a combination of different computational tools, such as, property prediction packages, modelling tools, simulation engines, solvent selection software, etc, are necessary together with a set of established systematic work-flow and data-flow for various types of design problems. This framework allows the user to cover a wide range of problems at different scales (of length and time) and disciplines of chemical engineering and science in an easy and efficient manner; achieving in this way the development of a product-process with the desired end-use characteristics. Development of a pesticide formulation product where its uptake into the plant is used as a product performance measure, is used to highlight the work-flow and data-flow in the multiscale modelling framework.