Chemical enterprise model and decision-making framework for sustainable chemical product design

•A decision-making framework for sustainable chemical product design is proposed.•In a four level hierarchical decision process, stakeholders define requirements.•An efficient computer aided product design tool is used in the design phase.•Bio-sourced molecule or mixture can be tailored.•Information and communication technologies support the framework.

The chemical product substitution process is undertaken by chemical industries for complying with regulations, like REACH in Europe. Initially devoted to chemists, chemicals substitution is nowadays a complex process involving corporate, business and engineering stakeholders across the chemical enterprise for orienting the search toward a sustainable solution. We formalize a decision making process framework dedicated to the sustainable chemical product design activity in an industrial context. The framework aims at improving the sharing of information and knowledge and at enabling a collaborative work across the chemical enterprise stakeholders at the strategic, tactical and operational levels. It is supported by information and communication technologies (ICT) and integrates a computer aided molecular design tool. During the initial intelligence phase, a systemic analysis of the needs and usages enables to define the product requirements. In the design phase, they are compiled with the help of a facilitator to generate the input file of a computer aided product design tool. This multiobjective tool is designed to find mixtures with molecular fragments issued from renewable raw materials, and is able to handle environment-health and safety related properties along with process physicochemical properties. The final choice phase discusses the solution relevancy and provides feedback, before launching the product manufacturing. The framework is illustrated by the search of a bio-sourced water–solvent mixture formulation for lithographic blanket wash used in printing industry. The sustainability of the solution is assessed by using the sustainability shades method.

Graphical abstractDecision levels across the chemical enterprise for the finding of sustainable chemical products.Figure optionsDownload full-size imageDownload as PowerPoint slide