Optimisation and process design tools for cleaner production

Y Van Fan, HH Chin, JJ Klemeš, PS Varbanov… - Journal of Cleaner …, 2020 - Elsevier
Assessments of hotspot analysis and process optimisation followed by improved design are
essential to achieve cleaner production. Cleaner production also involves complex …

Triggers for chemical product design: A systematic literature review

JL Rivera Gil, J Serna, JA Arrieta‐Escobar… - AIChE …, 2022 - Wiley Online Library
The product design project is a complex problem because objectives and constraints must
be considered simultaneously, the sustainability context is highly relevant and specific …

Systematic green solvent selection for the hydroformylation of long-chain alkenes

S Linke, K McBride, K Sundmacher - ACS Sustainable Chemistry …, 2020 - ACS Publications
When selecting solvents, not only thermodynamic criteria but also environmental, health,
and safety (EHS) properties should be considered. To this end, we present a fully automated …

An approach for simultaneous computer-aided molecular design with holistic sustainability assessment: Application to phase-change CO2 capture solvents

AI Papadopoulos, G Shavalieva… - Computers & Chemical …, 2020 - Elsevier
We propose an approach for the simultaneous consideration of a holistic sustainability
assessment framework in computer-aided molecular design (CAMD). The framework …

Computer-aided design of optimal environmentally benign solvent-based adhesive products

S Jonuzaj, J Cui, CS Adjiman - Computers & Chemical Engineering, 2019 - Elsevier
The manufacture of improved adhesive products that meet specified target properties has
attracted increasing interest over the last decades. In this work, a general systematic …

Design of bio-oil additives via molecular signature descriptors using a multi-stage computer-aided molecular design framework

JW Chong, S Thangalazhy-Gopakumar… - Frontiers of Chemical …, 2022 - Springer
Direct application of bio-oil from fast pyrolysis as a fuel has remained a challenge due to its
undesirable attributes such as low heating value, high viscosity, high corrosiveness and …

Computer-aided naphtha liquid–liquid extraction: Molecular reconstruction, sustainable solvent design and multiscale process optimization

XC Ma, Q Zhang, C He, QL Chen, BJ Zhang - Fuel, 2023 - Elsevier
A new integrated sustainable solvent and process design framework is proposed based on
GDP (generalized disjunctive programming) to separate the naphthenic and aromatic …

Computer-aided framework for the design of entrainer for palm process residue recovery

SY Lim, NG Chemmangattuvalappil, VS Chok… - … Research and Design, 2024 - Elsevier
Oleochemical industry produced substantial palm process residue during hydrogenation
process of fatty acid/methyl ester, containing medium-to long-chain fatty alcohols and …

Computer-aided framework for the design of optimal bio-oil/solvent blend with economic considerations

JW Chong, LY Ng, OA Aboagwa… - Processes, 2021 - mdpi.com
A major obstacle in utilising pyrolysis bio-oil as biofuel is its relatively low heating value,
high viscosity, and non-homogeneity. Solvent addition is a simple yet practical approach in …

Multiobjective Pinch Analysis for Resource Conservation in Constrained Source–Sink Problems

S Jain, HH Chin, JJ Klemeš… - Industrial & …, 2021 - ACS Publications
Resource conservation strategies play a vital role in the manufacturing and process
industries to fulfill environmental discharge and societal responsibilities. This paper aims to …