Performance Prediction and Working Fluid Active Design of Organic Rankine Cycle Based on Molecular Structure

Working fluid selection is crucial for organic Rankine cycles (ORC). In this study, the relationship between molecular structure and ORC performance was established based on the quantitative structure–property relationship (QSPR) and working fluid parameterized model (WFPM), from which an ORC workin...

Full description

Bibliographic Details
Main Authors: Yachao Pan, Fubin Yang, Hongguang Zhang, Yinlian Yan, Anren Yang, Jia Liang, Mingzhe Yu
Format: Article
Language:English
Published: MDPI AG 2022-11-01
Series:Energies
Subjects:
Online Access:https://www.mdpi.com/1996-1073/15/21/8160
_version_ 1797468351854804992
author Yachao Pan
Fubin Yang
Hongguang Zhang
Yinlian Yan
Anren Yang
Jia Liang
Mingzhe Yu
author_facet Yachao Pan
Fubin Yang
Hongguang Zhang
Yinlian Yan
Anren Yang
Jia Liang
Mingzhe Yu
author_sort Yachao Pan
collection DOAJ
description Working fluid selection is crucial for organic Rankine cycles (ORC). In this study, the relationship between molecular structure and ORC performance was established based on the quantitative structure–property relationship (QSPR) and working fluid parameterized model (WFPM), from which an ORC working fluid was actively designed. First, the QSPR model with four properties, namely, critical temperature (<i>T</i><sub>c</sub>), boiling point (<i>T</i><sub>b</sub>), critical pressure (<i>p</i><sub>c</sub>), and isobaric heat capacity (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msubsup><mi>c</mi><mi mathvariant="normal">p</mi><mn>0</mn></msubsup></mrow></semantics></math></inline-formula>), was built. Second, the evaporation enthalpy (<i>h</i><sub>vap</sub>), evaporation entropy (<i>s</i><sub>vap</sub>), and thermal efficiency (<i>η</i>) were estimated by WFPM, and the results were compared with those using REFPROP to verify the calculation accuracy of the “QSPR+WFPM” coupling model. The average absolute relative deviations of evaporation enthalpy and entropy are below 8.44%. The maximum relative error of thermal efficiency is 6%. Then, the thermodynamic performance limit of ORC and corresponding thermophysical properties of the ideal working fluid were calculated at typical geothermal source conditions. Finally, the active design of the working fluid was conducted with the ideal working fluid <i>T</i><sub>c</sub> and <i>p</i><sub>c</sub> as the target. The research shows that C<sub>3</sub>H<sub>4</sub>F<sub>2</sub> and C<sub>4</sub>H<sub>3</sub>F<sub>5</sub> are optimal working fluids at 473.15 and 523.15 K heat sources, respectively.
first_indexed 2024-03-09T19:06:14Z
format Article
id doaj.art-355d516822144114bae4d62ed321c023
institution Directory Open Access Journal
issn 1996-1073
language English
last_indexed 2024-03-09T19:06:14Z
publishDate 2022-11-01
publisher MDPI AG
record_format Article
series Energies
spelling doaj.art-355d516822144114bae4d62ed321c0232023-11-24T04:32:50ZengMDPI AGEnergies1996-10732022-11-011521816010.3390/en15218160Performance Prediction and Working Fluid Active Design of Organic Rankine Cycle Based on Molecular StructureYachao Pan0Fubin Yang1Hongguang Zhang2Yinlian Yan3Anren Yang4Jia Liang5Mingzhe Yu6Key Laboratory of Enhanced Heat Transfer and Energy Conservation of MOE, Beijing Key Laboratory of Heat Transfer and Energy Conversion, Faculty of Environment and Life, Beijing University of Technology, Beijing 100124, ChinaKey Laboratory of Enhanced Heat Transfer and Energy Conservation of MOE, Beijing Key Laboratory of Heat Transfer and Energy Conversion, Faculty of Environment and Life, Beijing University of Technology, Beijing 100124, ChinaKey Laboratory of Enhanced Heat Transfer and Energy Conservation of MOE, Beijing Key Laboratory of Heat Transfer and Energy Conversion, Faculty of Environment and Life, Beijing University of Technology, Beijing 100124, ChinaKey Laboratory of Enhanced Heat Transfer and Energy Conservation of MOE, Beijing Key Laboratory of Heat Transfer and Energy Conversion, Faculty of Environment and Life, Beijing University of Technology, Beijing 100124, ChinaKey Laboratory of Enhanced Heat Transfer and Energy Conservation of MOE, Beijing Key Laboratory of Heat Transfer and Energy Conversion, Faculty of Environment and Life, Beijing University of Technology, Beijing 100124, ChinaKey Laboratory of Enhanced Heat Transfer and Energy Conservation of MOE, Beijing Key Laboratory of Heat Transfer and Energy Conversion, Faculty of Environment and Life, Beijing University of Technology, Beijing 100124, ChinaKey Laboratory of Enhanced Heat Transfer and Energy Conservation of MOE, Beijing Key Laboratory of Heat Transfer and Energy Conversion, Faculty of Environment and Life, Beijing University of Technology, Beijing 100124, ChinaWorking fluid selection is crucial for organic Rankine cycles (ORC). In this study, the relationship between molecular structure and ORC performance was established based on the quantitative structure–property relationship (QSPR) and working fluid parameterized model (WFPM), from which an ORC working fluid was actively designed. First, the QSPR model with four properties, namely, critical temperature (<i>T</i><sub>c</sub>), boiling point (<i>T</i><sub>b</sub>), critical pressure (<i>p</i><sub>c</sub>), and isobaric heat capacity (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msubsup><mi>c</mi><mi mathvariant="normal">p</mi><mn>0</mn></msubsup></mrow></semantics></math></inline-formula>), was built. Second, the evaporation enthalpy (<i>h</i><sub>vap</sub>), evaporation entropy (<i>s</i><sub>vap</sub>), and thermal efficiency (<i>η</i>) were estimated by WFPM, and the results were compared with those using REFPROP to verify the calculation accuracy of the “QSPR+WFPM” coupling model. The average absolute relative deviations of evaporation enthalpy and entropy are below 8.44%. The maximum relative error of thermal efficiency is 6%. Then, the thermodynamic performance limit of ORC and corresponding thermophysical properties of the ideal working fluid were calculated at typical geothermal source conditions. Finally, the active design of the working fluid was conducted with the ideal working fluid <i>T</i><sub>c</sub> and <i>p</i><sub>c</sub> as the target. The research shows that C<sub>3</sub>H<sub>4</sub>F<sub>2</sub> and C<sub>4</sub>H<sub>3</sub>F<sub>5</sub> are optimal working fluids at 473.15 and 523.15 K heat sources, respectively.https://www.mdpi.com/1996-1073/15/21/8160organic Rankine cycleperformance predictionworking fluid designQSPR
spellingShingle Yachao Pan
Fubin Yang
Hongguang Zhang
Yinlian Yan
Anren Yang
Jia Liang
Mingzhe Yu
Performance Prediction and Working Fluid Active Design of Organic Rankine Cycle Based on Molecular Structure
Energies
organic Rankine cycle
performance prediction
working fluid design
QSPR
title Performance Prediction and Working Fluid Active Design of Organic Rankine Cycle Based on Molecular Structure
title_full Performance Prediction and Working Fluid Active Design of Organic Rankine Cycle Based on Molecular Structure
title_fullStr Performance Prediction and Working Fluid Active Design of Organic Rankine Cycle Based on Molecular Structure
title_full_unstemmed Performance Prediction and Working Fluid Active Design of Organic Rankine Cycle Based on Molecular Structure
title_short Performance Prediction and Working Fluid Active Design of Organic Rankine Cycle Based on Molecular Structure
title_sort performance prediction and working fluid active design of organic rankine cycle based on molecular structure
topic organic Rankine cycle
performance prediction
working fluid design
QSPR
url https://www.mdpi.com/1996-1073/15/21/8160
work_keys_str_mv AT yachaopan performancepredictionandworkingfluidactivedesignoforganicrankinecyclebasedonmolecularstructure
AT fubinyang performancepredictionandworkingfluidactivedesignoforganicrankinecyclebasedonmolecularstructure
AT hongguangzhang performancepredictionandworkingfluidactivedesignoforganicrankinecyclebasedonmolecularstructure
AT yinlianyan performancepredictionandworkingfluidactivedesignoforganicrankinecyclebasedonmolecularstructure
AT anrenyang performancepredictionandworkingfluidactivedesignoforganicrankinecyclebasedonmolecularstructure
AT jialiang performancepredictionandworkingfluidactivedesignoforganicrankinecyclebasedonmolecularstructure
AT mingzheyu performancepredictionandworkingfluidactivedesignoforganicrankinecyclebasedonmolecularstructure