New vistas in chemical product and process design

L Zhang, DK Babi, R Gani - Annual review of chemical and …, 2016 - annualreviews.org
Design of chemicals-based products is broadly classified into those that are process
centered and those that are product centered. In this article, the designs of both classes of …

[HTML][HTML] Computer-aided design of formulated products

GM Kontogeorgis, S Jhamb, X Liang… - Current opinion in …, 2022 - Elsevier
Formulated products represent a particular class of complex chemical products, and their
design is typically based on experience and extensive experimentation. Although still at an …

OptCAMD: An optimization-based framework and tool for molecular and mixture product design

Q Liu, L Zhang, L Liu, J Du, AK Tula, M Eden… - Computers & Chemical …, 2019 - Elsevier
Chemical product design determines the structure and constitution of products that satisfies
all desired properties and functions. Molecular products are usually employed as the main …

A machine learning based computer-aided molecular design/screening methodology for fragrance molecules

L Zhang, H Mao, L Liu, J Du, R Gani - Computers & Chemical Engineering, 2018 - Elsevier
Although the business of flavors and fragrances has become a multibillion dollar market, the
design/screening of fragrances still relies on the experience of specialists as well as …

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

S Kalakul, L Zhang, Z Fang, HA Choudhury… - Computers & Chemical …, 2018 - Elsevier
In chemical product design, application of computer-aided methods helps to design as well
as improve products to reach the market faster by reducing time-consuming experiments at …

An integrated framework for designing formulated products

L Zhang, KY Fung, X Zhang, HK Fung, KM Ng - Computers & Chemical …, 2017 - Elsevier
Formulated products are created by mixing various ingredients together. They are
commercially produced for drugs, cosmetics, cleaning agents, lubricants and many others …

A review of computer-aided design of paints and coatings

S Jhamb, M Enekvist, X Liang, X Zhang… - Current Opinion in …, 2020 - Elsevier
There is an immense potential for the computer-aided tools in the design of paints and
coatings. Significant advances have been made, involving also the use of thermodynamic …

Designing a surrogate fuel for gas-to-liquid derived diesel

HA Choudhury, S Intikhab, S Kalakul, M Khan… - Energy & …, 2017 - ACS Publications
Synthetic diesel fuel produced from natural gas via gas-to-liquid (GTL) technology is referred
to as ultraclean fuel but is still challenged for full certification as diesel fuel. GTL diesel lacks …

A computer-aided methodology for mixture-blend design. Applications to tailor-made design of surrogate fuels

L Zhang, S Kalakul, L Liu, NO Elbashir… - Industrial & …, 2018 - ACS Publications
Modern society needs various chemical products for its survival. The chemical products are
classified in terms of single species products, multiple species products, and devices …

Optimization proposal for emulsions formulation considering a multiscale approach

JJ Torres, CD Tinjaca, OA Alvarez… - Chemical Engineering …, 2020 - Elsevier
The design of higher value-added products involves the evaluation of different formulation
alternatives, while simultaneously addressing product structure and functionalities …