Selection of solvents or solvent mixtures for liquid–liquid extraction using predictive thermodynamic models or access to the Dortmund Data Bank
J Gmehling, A Schedemann - Industrial & Engineering Chemistry …, 2014 - ACS Publications
A sophisticated software package for the selection of the most suitable solvents or solvent
mixtures for liquid–liquid extraction was developed. For the selection in particular, phase …
mixtures for liquid–liquid extraction was developed. For the selection in particular, phase …
Incorporating Machine Learning in Computer-Aided Molecular Design for Fragrance Molecules
The demand for new novel flavour and fragrance (F&F) molecules has boosted the need for
a systematic approach to designing fragrance molecules. However, the F&F-related industry …
a systematic approach to designing fragrance molecules. However, the F&F-related industry …
Computer-aided solvent design for reactions: maximizing product formation
M Folic, CS Adjiman… - Industrial & engineering …, 2008 - ACS Publications
A hybrid experimental/computer-aided methodology for the design of solvents for reactions,
recently proposed by the authors [Folić et al., AIChE J. 2007, 53, 1240–1256], is extended …
recently proposed by the authors [Folić et al., AIChE J. 2007, 53, 1240–1256], is extended …
CAMD for entrainer screening of extractive distillation process based on new thermodynamic criteria
S Cignitti, I Rodriguez-Donis, J Abildskov, X You… - … Research and Design, 2019 - Elsevier
This paper presents a preliminary design framework for finding suitable homogeneous
entrainers E to separate minimum boiling azeotropic mixtures AB by extractive distillation …
entrainers E to separate minimum boiling azeotropic mixtures AB by extractive distillation …
Improved structure–property relationship models for prediction of critical properties
SS Godavarthy, RL Robinson Jr, KAM Gasem - Fluid Phase Equilibria, 2008 - Elsevier
New chemical process design strategies utilizing computer-aided molecular design (CAMD)
can provide significant improvements in process economics by identifying the chemicals …
can provide significant improvements in process economics by identifying the chemicals …
Molecule superstructures for computer-aided molecular and process design
Integrated molecular and process design optimizes process variables together with
molecules as an additional degree of freedom. The integrated design needs to represent the …
molecules as an additional degree of freedom. The integrated design needs to represent the …
Energy systems engineering-a guided tour
As future energy systems aim to be more efficient, cost-effective, environmentally benign,
and interconnected with each other, their design and operation become ever challenging …
and interconnected with each other, their design and operation become ever challenging …
[HTML][HTML] The design of optimal mixtures from atom groups using Generalized Disjunctive Programming
A comprehensive computer-aided mixture/blend design methodology for formulating a
general mixture design problem where the number, identity and composition of mixture …
general mixture design problem where the number, identity and composition of mixture …
Computer-aided blended extractant design and screening for co-extracting phenolic, polycyclic aromatic hydrocarbons and nitrogen heterocyclic compounds …
R Xu, YH Zhao, QZ Han, PG Ning, HB Cao… - Journal of Cleaner …, 2020 - Elsevier
An innovative design and screening methodology of blended extractants was proposed, for
co-extracting phenolic, polycyclic aromatic hydrocarbons (PAHs) and nitrogen heterocyclic …
co-extracting phenolic, polycyclic aromatic hydrocarbons (PAHs) and nitrogen heterocyclic …
Design for environment: a state-of-the-art review
U Diwekar, Y Shastri - Clean technologies and environmental policy, 2011 - Springer
Traditional process design concentrates on process simulation and profitability. However, for
design for environment one has to extend the simulation framework to include chemical and …
design for environment one has to extend the simulation framework to include chemical and …