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...
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MDPI AG
2022-11-01
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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. |
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issn | 1996-1073 |
language | English |
last_indexed | 2024-03-09T19:06:14Z |
publishDate | 2022-11-01 |
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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 |
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