A comprehensive framework for surfactant selection and design for emulsion based chemical product design

Robust chemical product design via fuzzy optimisation approach

“…The product design approach identifies feasible product candidates by using computer-aided tools to generate a list of potential molecules in stage 1, experimental planning which generate lists of experimental set-ups in stage 2, and experimental testing which verifies the desirable attributes of the final product in stage 3. Recently, comprehensive product design framework which identifies products that meets customer preferences have been developed for the design of emulsion based chemical product (Mattei et al, 2014). Property prediction models developed from GC methods and QSPR are utilised to estimate the target properties such as cloud point and krafft temperature of the emulsion design.…”

Product Design – From Molecules to Formulations to Devices

“…In formulated products, however, the solvent is part of the final product and its role is to deliver the AI and vaporize away from the product application site (Conte et al, 2011). (Hostrup et al, 1999) Process (separation -VLE) task Selectively dissolve solute ; no phase split; no azeotrope with solute; inert; environmentally benign (green) Single-solvent (Gani et al, 1991) Process (separation-LLE) task Selectively dissolve solute; phase split; no azeotrope with solute; inert; environmentally benign (green) Solvent blend (Karunanithi et al, 2006) Process (separationpurify) task Dissolve with solvent-1; precipitate with solvent-2; solvents 1 &2 are totally miscible; no azeotrope with solute; inert; environmentally benign (green) Water-based solvent-blend (Conte et al, 2011) Formulated product application (deliver AIs and evaporate away from application site) Dissolve AIs; water-miscible solvents; nontoxic; stable liquid; targeted viscosity, surface tension and evaporation rate Solvent-blend for cleaning (Mattei et al, 2014) Product application (remove unwanted materials, i.e., solids, coatings, dirt, etc.) Note that the different solvent design-selection problems listed in Table 3 can be solved through the framework (see Figure 1) for computer-aided solvent selection and design.…”

“…), databases (surfactants) and template has been introduced (Mattei et al 2014). ), databases (surfactants) and template has been introduced (Mattei et al 2014).…”

A grand model for chemical product design

“…Conte et al (2011Conte et al ( , 2012 proposed a systematic methodology which integrates computeraided tools and experimental testing for designing formulated products such as water-based insect repellent and waterproof sunscreen. Mattei et al (2014) extended the methodology to emulsion-based formulated products. Korichi et al (2008) presented a multi-level molecular knowledge framework for computer aided aroma design.…”