2017
DOI: 10.1016/j.coche.2017.05.005
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Abstract: Sustainability issues are changing the nature of process design problems and methods. • Design boundaries have expanded down towards molecular level and up to global scales. • Methods and decision support frameworks address multidimensionality and multiscale. • Explicit consideration of ecosystems has shown recent advancements. • Tools capturing the full range of scales and interactions are yet to be developed.

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Cited by 19 publications
(9 citation statements)
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References 73 publications
(61 reference statements)
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“…In LCA terminology, this means that the foreground system is represented by the process only. However, even the design of such a single plant itself involves decision-making on multiple scales (69,70): On the smallest scale, molecules must be selected as catalysts, solvents, or working fluids. On the process scale, equipment types and operating conditions are determined for optimal process performance.…”
Section: Process Designmentioning
confidence: 99%
“…In LCA terminology, this means that the foreground system is represented by the process only. However, even the design of such a single plant itself involves decision-making on multiple scales (69,70): On the smallest scale, molecules must be selected as catalysts, solvents, or working fluids. On the process scale, equipment types and operating conditions are determined for optimal process performance.…”
Section: Process Designmentioning
confidence: 99%
“…16,23 This allowed obtaining a viscosity database that covers compound classes obtainable from biomass with diverse structural configurations. The main database was composed of 418 compounds comprising alcohols (24), aldehydes (6), alkenes (27), aromatics (34), carboxylic acids (15), cycloalkanes (41), esters (79), ethers (15), isoalkanes (29), ketones (15), n-alkanes (13), and polyfunctional molecules (120). Polyfunctional molecules included polyalcohols, polyethers, dienes, polyaromatics, aromatic ethers and alcohols, glycols, glycol ethers, substituted ring compounds, and unsaturated carboxylic acids and esters.…”
Section: ■ Methodologymentioning
confidence: 99%
“…For many of these molecules, physical property data have not been measured yet and need to be predicted to determine their suitability to a particular application. , Estimation of properties is required to screen a large number of molecules with potential for the desired property in a fast and resource-efficient manner, before entering into detailed experimentation and synthesis. Knowledge about molecular properties can also be the basis for sustainable chemical process design . Furthermore, establishing models to predict molecular properties is a key step in the de novo design and intelligent discovery of organic molecules using machine learning (ML) methods …”
Section: Introductionmentioning
confidence: 99%
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“…All of the abovediscussed methods rely upon the overall approach, whereas the individual equipment approach has not been explored extensively (Hendershot, 2010). Furthermore, individual equipment has also been indicated in the "onion model" of sustainable process design as an important level for the recent trends of sustainable process design (Martinez-Hernandez, 2017). A few methods…”
Section: Introductionmentioning
confidence: 99%