TY - JOUR
T1 - Working fluid and system optimisation of organic Rankine cycles via computer-aided molecular design
T2 - A review
AU - Markides, Christos N.
AU - Bardow, André
AU - De Paepe, Michel
AU - De Servi, Carlo
AU - Groß, Joachim
AU - Haslam, Andrew J.
AU - Lecompte, Steven
AU - Papadopoulos, Athanasios I.
AU - Oyewunmi, Oyeniyi A.
AU - More Authors, null
PY - 2025
Y1 - 2025
N2 - Organic Rankine cycle (ORC) systems are a class of distributed power-generation systems that are suitable for the efficient conversion of low-to-medium temperature thermal energy to useful power. These versatile systems have significant potential to contribute in diverse ways to future clean and sustainable energy systems through, e.g., deployment for waste-heat recovery in industrial facilities, but also the utilisation of renewable-heat sources, thereby improving energy access and living standards, while reducing primary energy consumption and the associated emissions. The energetic and economic performance, but also environmental sustainability of ORC systems, all depend strongly on the working fluid employed, and therefore a significant effort has been made in recent years to select, but also to design novel working fluids for ORC systems. In this context, computer-aided molecular design (CAMD) techniques have emerged as highly promising approaches with which to explore the key role of working fluids, and present an opportunity, by focusing on the design of new eco-friendly fluids with low environmental footprints, to identify alternatives to traditional refrigerants with improved characteristics. In this review article, an overview of working-fluid and system optimisation methodologies that can be used for the design and operation of next-generation ORC systems is provided. With reference to wide-ranging applications from waste-heat recovery in industrial and automotive applications, to biomass, geothermal and solar-energy conversion and/or storage, this review represents a comprehensive, forward-looking exposition of the application of CAMD to the design of ORC technology.
AB - Organic Rankine cycle (ORC) systems are a class of distributed power-generation systems that are suitable for the efficient conversion of low-to-medium temperature thermal energy to useful power. These versatile systems have significant potential to contribute in diverse ways to future clean and sustainable energy systems through, e.g., deployment for waste-heat recovery in industrial facilities, but also the utilisation of renewable-heat sources, thereby improving energy access and living standards, while reducing primary energy consumption and the associated emissions. The energetic and economic performance, but also environmental sustainability of ORC systems, all depend strongly on the working fluid employed, and therefore a significant effort has been made in recent years to select, but also to design novel working fluids for ORC systems. In this context, computer-aided molecular design (CAMD) techniques have emerged as highly promising approaches with which to explore the key role of working fluids, and present an opportunity, by focusing on the design of new eco-friendly fluids with low environmental footprints, to identify alternatives to traditional refrigerants with improved characteristics. In this review article, an overview of working-fluid and system optimisation methodologies that can be used for the design and operation of next-generation ORC systems is provided. With reference to wide-ranging applications from waste-heat recovery in industrial and automotive applications, to biomass, geothermal and solar-energy conversion and/or storage, this review represents a comprehensive, forward-looking exposition of the application of CAMD to the design of ORC technology.
KW - CAMD
KW - CAMPD
KW - Computer-aided
KW - Distributed power generation
KW - Group contribution
KW - Heat conversion
KW - Low-grade heat
KW - Optimisation
KW - ORC
KW - Process design
KW - Renewable heat
KW - SAFT
KW - Waste-heat recovery
UR - http://www.scopus.com/inward/record.url?scp=85211072317&partnerID=8YFLogxK
U2 - 10.1016/j.pecs.2024.101201
DO - 10.1016/j.pecs.2024.101201
M3 - Review article
AN - SCOPUS:85211072317
SN - 0360-1285
VL - 107
JO - Progress in Energy and Combustion Science
JF - Progress in Energy and Combustion Science
M1 - 101201
ER -