A Framework for the Integration of Holistic Sustainability Assessment in Computer-Aided Molecular Design

Παπαδόπουλος, Αθανάσιος Ι.; Shavalieva, Gulnara; Papadokonstantakis, Stavros; Seferlis, Panos

doi:10.1016/b978-0-12-818634-3.50003-5

Cited by 3 publications

(2 citation statements)

References 10 publications

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“…They showed the importance of integrating nonconventional properties into CAMD, as constraints on nonconventional properties excluded otherwise-optimal molecules from the design space. Papadopoulos et al (117) demonstrated an integrated sustainability assessment and CAMD approach for the design of solvents for chemisorption-based CO 2 capture. The considered sustainability metrics include LCA process metrics computed from a molecular-based neural network (58; see Section 3) as well as environment-relevant product properties computed from GC models.…”

Section: Product Designmentioning

confidence: 99%

Life Cycle Assessment for the Design of Chemical Processes, Products, and Supply Chains

Kleinekorte

Fleitmann

Bachmann

et al. 2020

Annu. Rev. Chem. Biomol. Eng.

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Design in the chemical industry increasingly aims not only at economic but also at environmental targets. Environmental targets are usually best quantified using the standardized, holistic method of life cycle assessment (LCA). The resulting life cycle perspective poses a major challenge to chemical engineering design because the design scope is expanded to include process, product, and supply chain. Here, we first provide a brief tutorial highlighting key elements of LCA. Methods to fill data gaps in LCA are discussed, as capturing the full life cycle is data intensive. On this basis, we review recent methods for integrating LCA into the design of chemical processes, products, and supply chains. Whereas adding LCA as a posteriori tool for decision support can be regarded as established, the integration of LCA into the design process is an active field of research. We present recent advances and derive future challenges for LCA-based design. 203 Annu. Rev. Chem. Biomol. Eng. 2020.11:203-233. Downloaded from www.annualreviews.org Access provided by 44.224.250.200 on 07/08/20. For personal use only.

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Section: Product Designmentioning

confidence: 99%

Life Cycle Assessment for the Design of Chemical Processes, Products, and Supply Chains

Kleinekorte

Fleitmann

Bachmann

et al. 2020

Annu. Rev. Chem. Biomol. Eng.

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“…These are issues which have been highlighted in a few cases (e.g., see Zhang) and potential solutions have been proposed, but more research is needed in this direction. To this end, Papadopoulos et al , proposed a framework for holistic sustainability assessment of CO 2 capture solvents, including phase-change solvents, while Papadokonstantakis et al extended this framework to account for holistic sustainability of process flowsheet modifications in view of different solvents. Note here that other materials used in CO 2 capture such as membranes also exhibit environmental impacts when viewed from a life-cycle perspective .…”

Section: Comparative Analysis and Concluding Remarksmentioning

confidence: 99%

Phase-Change Solvents and Processes for Postcombustion CO₂ Capture: A Detailed Review

Παπαδόπουλος

Tzirakis

Tsivintzelis

et al. 2019

Ind. Eng. Chem. Res.

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This work reviews research activities in the development of phase-change CO2 capture solvents and processes. The focus is on liquid–liquid phase-change solvents in which the CO2-lean phase can be recycled to the absorber prior to regeneration hence the energy demands may be substantially decreased compared to nonphase change processes. The review briefly provides the basic chemical and physical principles required to understand the phase-change behavior in postcombustion CO2 capture systems. The reviewed work is further organized per different solvent type into major sections including experimental property measurement studies, experimental pilot plant studies, thermodynamic and kinetic modeling studies, as well as process modeling and technoeconomic assessment studies. In all sections we provide details regarding experimental approaches, operating conditions of pilot plants, implementations in different industries, and performance data. Key findings include operating observations and performance indicators regarding the investigated solvents and processes as well as a substantiated estimation of their technology readiness level.

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Optimisation and process design tools for cleaner production

Fan

Chin

Klemeš

et al. 2020

Journal of Cleaner Production

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A Framework for the Integration of Holistic Sustainability Assessment in Computer-Aided Molecular Design

Cited by 3 publications

References 10 publications

Life Cycle Assessment for the Design of Chemical Processes, Products, and Supply Chains

Life Cycle Assessment for the Design of Chemical Processes, Products, and Supply Chains

Phase-Change Solvents and Processes for Postcombustion CO₂ Capture: A Detailed Review

Optimisation and process design tools for cleaner production

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A Framework for the Integration of Holistic Sustainability Assessment in Computer-Aided Molecular Design

Cited by 3 publications

References 10 publications

Life Cycle Assessment for the Design of Chemical Processes, Products, and Supply Chains

Life Cycle Assessment for the Design of Chemical Processes, Products, and Supply Chains

Phase-Change Solvents and Processes for Postcombustion CO2 Capture: A Detailed Review

Optimisation and process design tools for cleaner production

Contact Info

Product

Resources

About

Phase-Change Solvents and Processes for Postcombustion CO₂ Capture: A Detailed Review