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A Property Based Approach for Simultaneous Process and Molecular Design
(
Elsevier B.V.
, 2009 , Article)
In this work, property clustering techniques and group contribution methods are combined to enable simultaneous consideration of process performance requirements and molecular property constraints. Using this methodology, ...
Efficient visual mixture design of experiments using property clustering techniques
(2009 , Article)
Mixture design is a design of experiments (DOE) tool used to determine the combination of chemical constitutents that deliver a desired response (or property) using a minimum number of experimental runs. While the approach ...
A novel algorithm for molecular synthesis using enhanced property operators
(
Elsevier Ltd
, 2008 , Article)
Traditionally process design and molecular design have been treated as two separate problems, with little or no feedback between the two approaches. Introduction of the property integration framework has allowed for ...
A systematic visual approach to molecular design via property clusters and group contribution methods
(
Elsevier Ltd
, 2008 , Article)
In this work, a new simple yet effective, systematic method to synthesize and design molecules is presented. Visualization of the problem is achieved by employing an annex to the recently developed property clustering ...
Preliminary study on the inclusion of inherent safety principles using property design framework
(
AIChE
, 2008 , Conference Paper)
The word safety in design signals accident prevention and protective measures. On a larger scale, safety in processes involves the risk of operating process units and operating conditions, supplied and generated substances ...