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Cubic and higher order equations of state for fluid mixtures : development, parameterization and validation through industrial energy conversion applications

Abstract : One of the strategies to achieve the target of 32% share of EU energy consumption coming from renewable energy sources (RES) by 2030 is to increase the use of distributed energy systems (DES). The promotion of DES has opened the way to different technologies such as combined heat and power (CHP) or combined cooling, heating and power (CCHP) systems. Recently, a novel CCHP cycle, operating with two-phase expanders and compressors, has been designed. Such a cycle enables the development of an all-in-one device capable of producing electric, heating and cooling power with a single working fluid. Among the design challenges of this novel CCHP system, the working fluid selection appears as a key stage of its development. In this thesis a methodology for the selection of promising working fluids for Combined Cooling, Heating and Power (CCHP) applications has been presented. This study has intended to provide an insight about working fluids that should be considered for further theoretical and experimental investigations. A key stage of the development of the proposed methodology relied on the study of cubic equations of state for pure compounds and mixtures in with the purpose of enhancing their accuracy on the estimation of saturation and caloric properties. Throughout this work it has been showed that two major concepts are necessary for the development of cubic equations of state (CEoS): the consistency and volume-translation concepts. The implementation of these concepts along with a sound parameterization method leads to highly accurate CEoS such as the translated-consistent Peng-Robinson (tc-PR) EoS. In order to safely extend CEoS to mixtures addressing the question of mixing rules is capital. The research work of this thesis introduced advanced mixing rules (EoS/a_res) derived by equating the residual part of the excess Helmholtz energy from an EoS and from an explicit activity-coefficient model. Finally, a database search methodology has been implemented to screen about 60 000 species included in the DDB, the DIPPR and the NIST TDE 103b databases. The screening approach considered thermodynamic, process-related, constructional, safety and environmental constraints. The screening coupled with the performance evaluation have demonstrated that fluids such as HFC-152 or HCFO-1233zd(E) have a good potential for CCHP applications.
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Submitted on : Tuesday, June 21, 2022 - 11:53:31 AM
Last modification on : Tuesday, June 21, 2022 - 11:58:10 AM


  • HAL Id : tel-03456951, version 1



Andrés Piña-Martinez. Cubic and higher order equations of state for fluid mixtures : development, parameterization and validation through industrial energy conversion applications. Chemical and Process Engineering. Université de Lorraine, 2021. English. ⟨NNT : 2021LORR0170⟩. ⟨tel-03456951⟩



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