Computer aided chemical product design – ProCAPD and tailor-made blended products

Kalakul, Sawitree; Zhang, Lei; Fang, Zhou; Choudhury, Hanif A.; Intikhab, Saad; Elbashir, Nimir O.; Eden, Mario R.; Gani, Rafiqul

doi:10.1016/j.compchemeng.2018.03.029

Cited by 55 publications

(34 citation statements)

References 52 publications

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“…How can we convince industry about the benefits of a PI solution and what are the necessary steps for implementation? Versatile software: A general software tool that can perform routine CAPI is not yet available. Recent developments in process synthesis‐design‐intensification and chemical product design, however, have been encouraging. A multi‐disciplinary approach is necessary as different research groups need to provide different knowledge.…”

Section: Perspectivesmentioning

confidence: 99%

Computer‐aided process intensification: Challenges, trends and opportunities

2019

Self Cite

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Section: Perspectivesmentioning

confidence: 99%

Computer‐aided process intensification: Challenges, trends and opportunities

2019

Self Cite

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“…52 Through the mathematical programming technique the product design problems are solved directly through an appropriate numerical solver as reviewed by Austin et al 33 Computer Aided Mixture/blend Design: Given a set of chemicals and a set of property constraints, determine the optimal mixture and/or blend consisting of a sub-set of chemicals. 64,65 The design of chemical products depends very much on the ability to represent the product characteristics by a set of measurable and/or predictable properties. It is noteworthy that much work is required a priory to obtain such properties.…”

Section: Chemical Product Design and Formulationmentioning

confidence: 99%

“…Usually, an expert would be able to provide this knowledge if the necessary data is available. Another option followed in Kalakul et al 64 Product design is clearly a functionality driven discipline since the product design goal to a very large extend is determined by the intended purpose of the product.…”

Section: Chemical Product Design and Formulationmentioning

confidence: 99%

Functional Modeling View on Product and Process Engineering in Design and Operations

Jørgensen

Lind

Jensen³

2019

Ind. Eng. Chem. Res.

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“…Linear and simple nonlinear mixing rules are applied to predict mixture properties. The CAM b D methods are usually applied to mixtures with less than six ingredients such as solvent mixtures 10‐13 and blended fuels 14‐18 . This is because much greater computational effort is needed as the number of ingredients increases 13,14 .…”

Section: Introductionmentioning

confidence: 99%

Optimization‐based cosmetic formulation: Integration of mechanistic model, surrogate model, and heuristics

Zhang

Zhou

2020

AIChE Journal

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Multiple functional and hard‐to‐quantify sensorial product attributes that can be satisfied by a large number of cosmetic ingredients are required in the design of cosmetics. To overcome this problem, a new optimization‐based approach for expediting cosmetic formulation is presented. It exploits the use of a hierarchy of models in an iterative manner to refine the search for creating the highest‐quality cosmetic product. First, a systematic procedure is proposed for optimization problem formulation, where the cosmetic formulation problem is defined, design variables are specified, and a set of models for sensorial perception and desired product properties are identified. Then, a solution strategy that involves iterative model adoption and two numerical techniques (i.e., generalized disjunctive programming reformulation and model substitution) is applied to improve the efficiency of solving the optimization problem and to find better solutions. The applicability of the proposed procedure and solution strategy is illustrated with a perfume formulation example.

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Computer aided chemical product design – ProCAPD and tailor-made blended products

Cited by 55 publications

References 52 publications

Computer‐aided process intensification: Challenges, trends and opportunities

Computer‐aided process intensification: Challenges, trends and opportunities

Functional Modeling View on Product and Process Engineering in Design and Operations

Optimization‐based cosmetic formulation: Integration of mechanistic model, surrogate model, and heuristics

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