Integrated Design of Working Fluid Mixtures and Absorption Refrigeration Cycles

<p dir="ltr">This work presents a CAMD (computer-aided molecular design) approach for the design of working fluid mixtures used in ABR (absorption refrigeration) cycles. Compared to previous works, the proposed approach introduces two major improvements. It employs for the first time...

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Main Author: Athanasios I. Papadopoulos (1919008) (author)
Other Authors: Alexios-Spyridon Kyriakides (10538807) (author), Panos Seferlis (1919002) (author), Ibrahim Hassan (225257) (author)
Published: 2021
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author Athanasios I. Papadopoulos (1919008)
author2 Alexios-Spyridon Kyriakides (10538807)
Panos Seferlis (1919002)
Ibrahim Hassan (225257)
author2_role author
author
author
author_facet Athanasios I. Papadopoulos (1919008)
Alexios-Spyridon Kyriakides (10538807)
Panos Seferlis (1919002)
Ibrahim Hassan (225257)
author_role author
dc.creator.none.fl_str_mv Athanasios I. Papadopoulos (1919008)
Alexios-Spyridon Kyriakides (10538807)
Panos Seferlis (1919002)
Ibrahim Hassan (225257)
dc.date.none.fl_str_mv 2021-04-08T03:00:00Z
dc.identifier.none.fl_str_mv 10.3389/fceng.2021.622998
dc.relation.none.fl_str_mv https://figshare.com/articles/journal_contribution/Integrated_Design_of_Working_Fluid_Mixtures_and_Absorption_Refrigeration_Cycles/26095666
dc.rights.none.fl_str_mv CC BY 4.0
info:eu-repo/semantics/openAccess
dc.subject.none.fl_str_mv Engineering
Chemical engineering
Fluid mechanics and thermal engineering
molecular design
absorption refrigeration
multicriteria assessment
working fluids
CAMD
dc.title.none.fl_str_mv Integrated Design of Working Fluid Mixtures and Absorption Refrigeration Cycles
dc.type.none.fl_str_mv Text
Journal contribution
info:eu-repo/semantics/publishedVersion
text
contribution to journal
description <p dir="ltr">This work presents a CAMD (computer-aided molecular design) approach for the design of working fluid mixtures used in ABR (absorption refrigeration) cycles. Compared to previous works, the proposed approach introduces two major improvements. It employs for the first time an ABR process model in the course of CAMD, hence enabling the evaluation of the generated mixtures considering process performance indicators. It enables for the first time the simultaneous generation and evaluation of molecular structures for both refrigerants and absorbents. The employed model and CAMD optimization problem formulation incorporates major ABR operational driving forces pertaining to efficient refrigeration, sufficient solubility of mixture components and ease of separation in the generator. The approach employs a multicriteria assessment methodology both during CAMD and for the evaluation of selected mixtures using a more rigorous ABR model at a second stage. The work identifies novel mixtures, with Acetaldehyde/2-Methoxyethyl acetate and Acetaldehyde/Methanediol exhibiting the highest performance. The latter exhibits 3% higher COP (coefficient of performance) and cooling output than the reference mixture NH<sub>3</sub>/H<sub>2</sub>O, whereas it operates at 87 and 89% lower high and low cycle pressures. The novel mixtures are also compared with novel mixtures previously identified through a heuristic approach by the authors. The latter mixtures indicate overall higher ABR performance but similar or worse performance in safety, health and environmental impact indices. Further performance improvements may be achieved by including into CAMD additional chemical groups to be able to simulate the complex absorbent structures available in published works.</p><h2>Other Information</h2><p dir="ltr">Published in: Frontiers in Chemical Engineering<br>License: <a href="https://creativecommons.org/licenses/by/4.0/" target="_blank">https://creativecommons.org/licenses/by/4.0/</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.3389/fceng.2021.622998" target="_blank">https://dx.doi.org/10.3389/fceng.2021.622998</a></p>
eu_rights_str_mv openAccess
id Manara2_9f8dbf0c0420dc4dc9035fe1f7227de8
identifier_str_mv 10.3389/fceng.2021.622998
network_acronym_str Manara2
network_name_str Manara2
oai_identifier_str oai:figshare.com:article/26095666
publishDate 2021
repository.mail.fl_str_mv
repository.name.fl_str_mv
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rights_invalid_str_mv CC BY 4.0
spelling Integrated Design of Working Fluid Mixtures and Absorption Refrigeration CyclesAthanasios I. Papadopoulos (1919008)Alexios-Spyridon Kyriakides (10538807)Panos Seferlis (1919002)Ibrahim Hassan (225257)EngineeringChemical engineeringFluid mechanics and thermal engineeringmolecular designabsorption refrigerationmulticriteria assessmentworking fluidsCAMD<p dir="ltr">This work presents a CAMD (computer-aided molecular design) approach for the design of working fluid mixtures used in ABR (absorption refrigeration) cycles. Compared to previous works, the proposed approach introduces two major improvements. It employs for the first time an ABR process model in the course of CAMD, hence enabling the evaluation of the generated mixtures considering process performance indicators. It enables for the first time the simultaneous generation and evaluation of molecular structures for both refrigerants and absorbents. The employed model and CAMD optimization problem formulation incorporates major ABR operational driving forces pertaining to efficient refrigeration, sufficient solubility of mixture components and ease of separation in the generator. The approach employs a multicriteria assessment methodology both during CAMD and for the evaluation of selected mixtures using a more rigorous ABR model at a second stage. The work identifies novel mixtures, with Acetaldehyde/2-Methoxyethyl acetate and Acetaldehyde/Methanediol exhibiting the highest performance. The latter exhibits 3% higher COP (coefficient of performance) and cooling output than the reference mixture NH<sub>3</sub>/H<sub>2</sub>O, whereas it operates at 87 and 89% lower high and low cycle pressures. The novel mixtures are also compared with novel mixtures previously identified through a heuristic approach by the authors. The latter mixtures indicate overall higher ABR performance but similar or worse performance in safety, health and environmental impact indices. Further performance improvements may be achieved by including into CAMD additional chemical groups to be able to simulate the complex absorbent structures available in published works.</p><h2>Other Information</h2><p dir="ltr">Published in: Frontiers in Chemical Engineering<br>License: <a href="https://creativecommons.org/licenses/by/4.0/" target="_blank">https://creativecommons.org/licenses/by/4.0/</a><br>See article on publisher's website: <a href="https://dx.doi.org/10.3389/fceng.2021.622998" target="_blank">https://dx.doi.org/10.3389/fceng.2021.622998</a></p>2021-04-08T03:00:00ZTextJournal contributioninfo:eu-repo/semantics/publishedVersiontextcontribution to journal10.3389/fceng.2021.622998https://figshare.com/articles/journal_contribution/Integrated_Design_of_Working_Fluid_Mixtures_and_Absorption_Refrigeration_Cycles/26095666CC BY 4.0info:eu-repo/semantics/openAccessoai:figshare.com:article/260956662021-04-08T03:00:00Z
spellingShingle Integrated Design of Working Fluid Mixtures and Absorption Refrigeration Cycles
Athanasios I. Papadopoulos (1919008)
Engineering
Chemical engineering
Fluid mechanics and thermal engineering
molecular design
absorption refrigeration
multicriteria assessment
working fluids
CAMD
status_str publishedVersion
title Integrated Design of Working Fluid Mixtures and Absorption Refrigeration Cycles
title_full Integrated Design of Working Fluid Mixtures and Absorption Refrigeration Cycles
title_fullStr Integrated Design of Working Fluid Mixtures and Absorption Refrigeration Cycles
title_full_unstemmed Integrated Design of Working Fluid Mixtures and Absorption Refrigeration Cycles
title_short Integrated Design of Working Fluid Mixtures and Absorption Refrigeration Cycles
title_sort Integrated Design of Working Fluid Mixtures and Absorption Refrigeration Cycles
topic Engineering
Chemical engineering
Fluid mechanics and thermal engineering
molecular design
absorption refrigeration
multicriteria assessment
working fluids
CAMD