Bridging molecular modeling and 3E cycle analysis in absorption cooling using biomass-based solvents
Improving the sustainability of thermal processes has fostered growing interest in renewable, biodegradable, and non-toxic compounds. Among them, biomass-derived solvents present significant advantages over traditional petroleum-based alternatives, contributing to circular economy strategies. In thi...
| Autores: | , , , , , |
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| Tipo de recurso: | artículo |
| Fecha de publicación: | 2026 |
| País: | España |
| Institución: | Universidad de Cantabria (UC) |
| Repositorio: | UCrea Repositorio Abierto de la Universidad de Cantabria |
| Idioma: | inglés |
| OAI Identifier: | oai:dnet:ucreareposit::a4c985b47284d8c078f9319e22d103a7 |
| Acceso en línea: | https://hdl.handle.net/10902/39688 |
| Access Level: | acceso abierto |
| Palabra clave: | SAFT-VR Mie EoS Biomass-based solvents Fluorinated refrigerants Absorption refrigeration 3E analysis Indirect emissions |
| Sumario: | Improving the sustainability of thermal processes has fostered growing interest in renewable, biodegradable, and non-toxic compounds. Among them, biomass-derived solvents present significant advantages over traditional petroleum-based alternatives, contributing to circular economy strategies. In this study, we develop a comprehensive thermodynamic framework to assess the potential of new refrigerant-solvent working pairs for absorption refrigeration systems (ARS). These pairs combine fluorinated refrigerants and CO2 with five green organic solvents: Propylene Carbonate, Solketal, Terpinolene, y-Valerolactone, and Rhodiasolv PolarClean. The solubility of refrigerants in these solvents is modeled using an extended version of the SAFT-VR Mie equation of state, incorporating descriptors for planar ring structures and polar contributions. Refrigerants are treated as non-associating but dipolar fluids, and their thermophysical properties are successfully reproduced. Mixture behavior is captured with a single, temperature-independent binary interaction parameter, enabling reliable extrapolation to process conditions. The validated model is employed to quantify the working capacity of each refrigerant?solvent pair, serving as a pre-screening tool to choose the most promising pairs for cycle simulation. Single-effect (SE) and compression-assisted (CA) ARSs are evaluated through a detailed parametric study. Then, a comprehensive 3E analysis (energetic, exergetic, and environmental) is conducted, incorporating Key Performance Indicators, including the energy and exergy coefficients of performance, circulation ratio, high-pressure levels, and the total equivalent warming impact (TEWI). Finally, the TOPSIS multi-criteria decision-making method is applied to rank the working pairs and identify the best options for each configuration, revealing that R32/y-Valerolactone stands out as the best working pair in CA-Cycles when environmental concerns are considered. |
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