IDEAS home Printed from https://ideas.repec.org/a/eee/energy/v158y2018icp924-935.html
   My bibliography  Save this article

Standard molar chemical exergy: A new accurate model

Author

Listed:
  • Gharagheizi, Farhad
  • Ilani-Kashkouli, Poorandokht
  • Hedden, Ronald C.

Abstract

One of the key challenges in exergy analysis is computation of the standard molar chemical exergies of the compounds involved in the process or system. Here, we present a new, data-driven model for computation of the standard molar chemical exergies of pure organic compounds composed of C, H, N, O, S, F, Cl, Br, I and Si. The model is obtained by considering the formation of a pure organic compound from its constituent elements. The compound's standard molar chemical exergy is related to its standard state enthalpy and entropy of formation, and to the standard molar chemical exergies of its constituent elements. A database of 3148 pure organic compounds is used to develop correlations for the enthalpy and entropy of formation of an arbitrary organic compound based on a group contribution approach. Using these correlations, the standard molar chemical exergy of a given organic compound can be computed from our model. Comparison of model predictions with experimental data for 3148 compounds produces an average absolute relative deviation of only 0.3%. The new model provides a reasonable basis to estimate the standard molar chemical exergies of various organic compounds when experimental data are not available.

Suggested Citation

  • Gharagheizi, Farhad & Ilani-Kashkouli, Poorandokht & Hedden, Ronald C., 2018. "Standard molar chemical exergy: A new accurate model," Energy, Elsevier, vol. 158(C), pages 924-935.
    • Handle: RePEc:eee:energy:v:158:y:2018:i:c:p:924-935
    DOI: 10.1016/j.energy.2018.05.186
    as

    Download full text from publisher

    File URL: http://www.sciencedirect.com/science/article/pii/S0360544218310314
    Download Restriction: Full text for ScienceDirect subscribers only
    File URL: https://libkey.io/10.1016/j.energy.2018.05.186?utm_source=ideas
    LibKey link: if access is restricted and if your library uses this service, LibKey will redirect you to where you can use your library subscription to access this item
    ---><---

    As the access to this document is restricted, you may want to search for a different version of it.

    References listed on IDEAS

    as
    1. Gharagheizi, Farhad & Ilani-Kashkouli, Poorandokht & Mohammadi, Amir H. & Ramjugernath, Deresh, 2014. "A group contribution method for determination of the standard molar chemical exergy of organic compounds," Energy, Elsevier, vol. 70(C), pages 288-297.
    2. Bilgen, Selçuk & Kaygusuz, Kamil, 2008. "The calculation of the chemical exergies of coal-based fuels by using the higher heating values," Applied Energy, Elsevier, vol. 85(8), pages 776-785, August.
    3. Song, Guohui & Xiao, Jun & Zhao, Hao & Shen, Laihong, 2012. "A unified correlation for estimating specific chemical exergy of solid and liquid fuels," Energy, Elsevier, vol. 40(1), pages 164-173.
    4. Stepanov, V.S., 1995. "Chemical energies and exergies of fuels," Energy, Elsevier, vol. 20(3), pages 235-242.
    Full references (including those not matched with items on IDEAS)

    Citations

    Citations are extracted by the CitEc Project, subscribe to its RSS feed for this item.
    as


    Cited by:

    1. Vilardi, Giorgio & Verdone, Nicola, 2022. "Exergy analysis of municipal solid waste incineration processes: The use of O2-enriched air and the oxy-combustion process," Energy, Elsevier, vol. 239(PB).
    2. Geng, Xueli & Yan, Peng & Zhou, Hao & Li, Hong & Gao, Xin, 2023. "Process synthesis and 4E evaluation of hybrid reactive distillation processes for the ethanol and tert-butanol recovery from wastewater," Renewable Energy, Elsevier, vol. 205(C), pages 929-944.
    3. Huang, Youwang & Wang, Haiyong & Zhang, Xinghua & Zhang, Qi & Wang, Chenguang & Ma, Longlong, 2022. "Accurate prediction of chemical exergy of technical lignins for exergy-based assessment on sustainable utilization processes," Energy, Elsevier, vol. 243(C).
    4. Andrea Liberale Rispoli & Giacomo Rispoli & Nicola Verdone & Annarita Salladini & Emanuela Agostini & Mirko Boccacci & Maria Paola Parisi & Barbara Mazzarotta & Giorgio Vilardi, 2021. "The Electrification of Conventional Industrial Processes: The Use of Mechanical Vapor Compression in an EtOH–Water Distillation Tower," Energies, MDPI, vol. 14(21), pages 1-18, November.

    Most related items

    These are the items that most often cite the same works as this one and are cited by the same works as this one.
    1. Huang, Y.W. & Chen, M.Q. & Li, Y. & Guo, J., 2016. "Modeling of chemical exergy of agricultural biomass using improved general regression neural network," Energy, Elsevier, vol. 114(C), pages 1164-1175.
    2. Mollanoori, Mohammad & Dehghan, Ali Akbar, 2024. "Estimating the higher heating value and chemical exergy of solid, liquid, and natural gas fossil fuels," Energy, Elsevier, vol. 302(C).
    3. Huang, Youwang & Wang, Haiyong & Zhang, Xinghua & Zhang, Qi & Wang, Chenguang & Ma, Longlong, 2022. "Accurate prediction of chemical exergy of technical lignins for exergy-based assessment on sustainable utilization processes," Energy, Elsevier, vol. 243(C).
    4. Gharagheizi, Farhad & Ilani-Kashkouli, Poorandokht & Mohammadi, Amir H. & Ramjugernath, Deresh, 2014. "A group contribution method for determination of the standard molar chemical exergy of organic compounds," Energy, Elsevier, vol. 70(C), pages 288-297.
    5. Charalampos Michalakakis & Jeremy Fouillou & Richard C. Lupton & Ana Gonzalez Hernandez & Jonathan M. Cullen, 2021. "Calculating the chemical exergy of materials," Journal of Industrial Ecology, Yale University, vol. 25(2), pages 274-287, April.
    6. Chen, Xiaohui & Zheng, Danxing & Guo, Jing & Liu, Jingxiao & Ji, Peijun, 2013. "Energy analysis for low-rank coal based process system to co-produce semicoke, syngas and light oil," Energy, Elsevier, vol. 52(C), pages 279-288.
    7. Francis Chinweuba Eboh & Peter Ahlström & Tobias Richards, 2017. "Exergy Analysis of Solid Fuel-Fired Heat and Power Plants: A Review," Energies, MDPI, vol. 10(2), pages 1-29, February.
    8. Song, Guohui & Xiao, Jun & Zhao, Hao & Shen, Laihong, 2012. "A unified correlation for estimating specific chemical exergy of solid and liquid fuels," Energy, Elsevier, vol. 40(1), pages 164-173.
    9. Qian, Hongliang & Zhu, Weiwei & Fan, Sudong & Liu, Chang & Lu, Xiaohua & Wang, Zhixiang & Huang, Dechun & Chen, Wei, 2017. "Prediction models for chemical exergy of biomass on dry basis from ultimate analysis using available electron concepts," Energy, Elsevier, vol. 131(C), pages 251-258.
    10. Huang, Weijia & Zheng, Danxing & Chen, Xiaohui & Shi, Lin & Dai, Xiaoye & Chen, Youhui & Jing, Xuye, 2020. "Standard thermodynamic properties for the energy grade evaluation of fossil fuels and renewable fuels," Renewable Energy, Elsevier, vol. 147(P1), pages 2160-2170.
    11. Zhang, Yaning & Zhao, Wenke & Li, Bingxi & Zhang, Haochun & Jiang, Baocheng & Ke, Cunfeng, 2016. "Two equations for estimating the exergy of woody biomass based on the exergy of ash," Energy, Elsevier, vol. 106(C), pages 400-407.
    12. Guohui Song & Xiaobo Cui & Liang Wang & Zheng Wei, 2025. "Comparative Assessment of Biomass and Power-to-Gas Processes Integrated with Different Electricity-Driven Gasification Technologies," Clean Technol., MDPI, vol. 7(1), pages 1-20, January.
    13. Wang, Buyu & Pamminger, Michael & Wallner, Thomas, 2019. "Impact of fuel and engine operating conditions on efficiency of a heavy duty truck engine running compression ignition mode using energy and exergy analysis," Applied Energy, Elsevier, vol. 254(C).
    14. Soltanian, Salman & Kalogirou, Soteris A. & Ranjbari, Meisam & Amiri, Hamid & Mahian, Omid & Khoshnevisan, Benyamin & Jafary, Tahereh & Nizami, Abdul-Sattar & Gupta, Vijai Kumar & Aghaei, Siavash & Pe, 2022. "Exergetic sustainability analysis of municipal solid waste treatment systems: A systematic critical review," Renewable and Sustainable Energy Reviews, Elsevier, vol. 156(C).
    15. Mousavi, Seyed Ali & Toopshekan, Ashkan & Mehrpooya, Mehdi & Delpisheh, Mostafa, 2023. "Comprehensive exergetic performance assessment and techno-financial optimization of off-grid hybrid renewable configurations with various dispatch strategies and solar tracking systems," Renewable Energy, Elsevier, vol. 210(C), pages 40-63.
    16. Geng, Xueli & Yan, Peng & Zhou, Hao & Li, Hong & Gao, Xin, 2023. "Process synthesis and 4E evaluation of hybrid reactive distillation processes for the ethanol and tert-butanol recovery from wastewater," Renewable Energy, Elsevier, vol. 205(C), pages 929-944.
    17. Aghbashlo, Mortaza & Tabatabaei, Meisam & Rastegari, Hajar & Ghaziaskar, Hassan S. & Valijanian, Elena, 2018. "Exergy-based optimization of a continuous reactor applied to produce value-added chemicals from glycerol through esterification with acetic acid," Energy, Elsevier, vol. 150(C), pages 351-362.
    18. Xiao Chen & Yongquan Wen & Nanyang Li, 2016. "Energy Efficiency and Sustainability Evaluation of Space and Water Heating in Urban Residential Buildings of the Hot Summer and Cold Winter Zone in China," Sustainability, MDPI, vol. 8(10), pages 1-14, September.
    19. Siwen Zhang & Haiming Gu & Jing Qian & Wioletta Raróg-Pilecka & Yuan Wang & Qijing Wu & Hao Zhao, 2023. "Techno-Economic Assessment of High-Safety and Cost-Effective Syngas Produced by O 2 -Enriched Air Gasification with 40–70% O 2 Purity," Energies, MDPI, vol. 16(8), pages 1-13, April.
    20. Wang, Yongzhen & Zhang, Lanlan & Song, Yi & Han, Kai & Zhang, Yan & Zhu, Yilin & Kang, Ligai, 2024. "State-of-the-art review on evaluation indicators of integrated intelligent energy from different perspectives," Renewable and Sustainable Energy Reviews, Elsevier, vol. 189(PA).

    Corrections

    All material on this site has been provided by the respective publishers and authors. You can help correct errors and omissions. When requesting a correction, please mention this item's handle: RePEc:eee:energy:v:158:y:2018:i:c:p:924-935. See general information about how to correct material in RePEc.

    If you have authored this item and are not yet registered with RePEc, we encourage you to do it here. This allows to link your profile to this item. It also allows you to accept potential citations to this item that we are uncertain about.

    If CitEc recognized a bibliographic reference but did not link an item in RePEc to it, you can help with this form .

    If you know of missing items citing this one, you can help us creating those links by adding the relevant references in the same way as above, for each refering item. If you are a registered author of this item, you may also want to check the "citations" tab in your RePEc Author Service profile, as there may be some citations waiting for confirmation.

    For technical questions regarding this item, or to correct its authors, title, abstract, bibliographic or download information, contact: Catherine Liu (email available below). General contact details of provider: http://www.journals.elsevier.com/energy .

    Please note that corrections may take a couple of weeks to filter through the various RePEc services.

    IDEAS is a RePEc service. RePEc uses bibliographic data supplied by the respective publishers.