(229f) An Integrated Methodology for the Design of Optimal Solvent-Based Adhesive Products with Low Toxicity
In this work, we present a comprehensive approach for the design of optimal adhesive products with low environmental impact (Cui et al., 2018; Jonuzaj et al., 2019). The proposed methodology integrates computer-aided design tools (Gani, 2004) and Generalised Disjunctive Programming (Raman and Grossmann, 1994) to formulate and solve the product design problem. Within this integrated approach, the number of product constituents, the identities of the components (i.e., active ingredients and solvents) and their compositions are determined simultaneously. This makes it possible to identify the best combination of active ingredient and the solvent mixture, alleviating the need to decompose the problem in sequential steps in order to specify the identity of each type of chemical. The design methodology is applied to identifying optimal acrylic adhesive formulations with low toxicity. The results show that better performance can be achieved with an integrated product design approach rather than using simplified hierarchical methods. Furthermore, significant trade-offs between competing performance objectives are highlighted through a set of Pareto optimal solutions, where different blends are evaluated based on product toxicity and concentration of the active ingredient. Finally, a ranked list of promising designs, which can serve as a guide to experiments, is generated by adding integer cuts to the integrated formulation, showing that the top-ranked products are diverse in terms of the number of mixture ingredients, the identity of the solvents and their composition.
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Cui, J., Jonuzaj, S. & Adjiman, C.S., 2018. A Comprehensive Approach for the Design of Solvent-based Adhesive Products using Generalized Disjunctive Programming. Computer Aided Chemical Engineering, 44, pp.427-432.
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Gani, R., 2004. Computer-aided methods and tools for chemical product design. Chemical Engineering Research and Design, 82, pp.1494-1504.
Jonuzaj, S., Cui, J. & Adjiman, C.S., 2018. Computer-aided design of optimal environmentally benign solvent-based adhesive products. Computers and Chemical Engineering. Accepted for publication.
Raman, R. & Grossmann, I.E., 1994. Modelling and computational techniques for logic based integer programming. Computers & Chemical Engineering, 18, pp.563-578.