[HTML][HTML] Maximizing information from chemical engineering data sets: Applications to machine learning
It is well-documented how artificial intelligence can have (and already is having) a big
impact on chemical engineering. But classical machine learning approaches may be weak …
impact on chemical engineering. But classical machine learning approaches may be weak …
Computer-aided molecular design of ionic liquids as advanced process media: a review from fundamentals to applications
The unique physicochemical properties, flexible structural tunability, and giant chemical
space of ionic liquids (ILs) provide them a great opportunity to match different target …
space of ionic liquids (ILs) provide them a great opportunity to match different target …
Computer-aided molecular design: An introduction and review of tools, applications, and solution techniques
This article provides an introduction to and review of the field of computer-aided molecular
design (CAMD). It is intended to be approachable for the absolute beginner as well as useful …
design (CAMD). It is intended to be approachable for the absolute beginner as well as useful …
Long range interactions in nanoscale science
Our understanding of the “long range” electrodynamic, electrostatic, and polar interactions
that dominate the organization of small objects at separations beyond an interatomic bond …
that dominate the organization of small objects at separations beyond an interatomic bond …
New frontiers, challenges, and opportunities in integration of design and control for enterprise-wide sustainability
M Rafiei, LA Ricardez-Sandoval - Computers & Chemical Engineering, 2020 - Elsevier
Enterprise-wide sustainability involves aspects from molecular-scale design to macroscale
facilities. Typically, these aspects are treated as independent sub-problems. Maintaining …
facilities. Typically, these aspects are treated as independent sub-problems. Maintaining …
Deep learning and knowledge-based methods for computer-aided molecular design—toward a unified approach: State-of-the-art and future directions
The optimal design of compounds through manipulating properties at the molecular level is
often the key to considerable scientific advances and improved process systems …
often the key to considerable scientific advances and improved process systems …
Chemical product design: challenges and opportunities
R Gani - Computers & Chemical Engineering, 2004 - Elsevier
This paper highlights for a class of chemical products, the design process, their design with
respect to the important issues, the need for appropriate tools and finally, lists some of the …
respect to the important issues, the need for appropriate tools and finally, lists some of the …
Separation of butanol from acetone–butanol–ethanol fermentation by a hybrid extraction–distillation process
K Kraemer, A Harwardt, R Bronneberg… - Computers & Chemical …, 2011 - Elsevier
The alternative fuel butanol can be produced via acetone–butanol–ethanol (ABE)
fermentation from biomass. The high costs for the separation of ABE from the dilute …
fermentation from biomass. The high costs for the separation of ABE from the dilute …
Process intensification: A perspective on process synthesis
In recent years, process intensification (PI) has attracted considerable academic interest as
a potential means for process improvement, to meet the increasing demands for sustainable …
a potential means for process improvement, to meet the increasing demands for sustainable …
Phenomena based methodology for process synthesis incorporating process intensification
Process intensification (PI) has the potential to improve existing as well as conceptual
processes, in order to achieve a more sustainable production. PI can be achieved at …
processes, in order to achieve a more sustainable production. PI can be achieved at …