Bridging molecular modeling and 3E cycle analysis in absorption cooling using biomass-based solvents

Autor segons l'article: Huenuvil-Pacheco, Isaias; Viar, Miguel; Zarca, Gabriel; Urtiaga, Ane; Mejia, Andres; Llovell, Felix

Departament: Enginyeria Química

Autor/s de la URV: Llovell Ferret, Fèlix Lluís

Paraules clau: Viscosity; Systems; Solubilities; Saft-vr mie eos; Propylene carbonate; Phase-equilibria; Mixtures; Ionic liquids; Indirect emissions; Fluorinated refrigerants; Equation-of-state; Energy; Density; Biomass-based solvents; Absorption refrigeration; 3e analysis

Resum: 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, gamma-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/gamma-Valerolactone stands out as the best working pair in CA-Cycles when environmental concerns are considered.

Àrees temàtiques: Thermodynamics; Renewable energy, sustainability and the environment; Química; Pollution; Modeling and simulation; Medicina iii; Medicina ii; Mechanical engineering; Materiais; Management, monitoring, policy and law; Interdisciplinar; Industrial and manufacturing engineering; Geografía; Geociências; General energy; Fuel technology; Engineering, chemical; Engenharias iv; Engenharias iii; Engenharias ii; Engenharias i; Energy engineering and power technology; Energy (miscellaneous); Energy (all); Energy & fuels; Electrical and electronic engineering; Economia; Civil and structural engineering; Ciências ambientais; Ciências agrárias i; Ciência de alimentos; Ciência da computação; Building and construction; Biotecnología; Biodiversidade; Administração pública e de empresas, ciências contábeis e turismo

Accès a la llicència d'ús: https://creativecommons.org/licenses/by/3.0/es/

Adreça de correu electrònic de l'autor: felix.llovell@urv.cat

Data d'alta del registre: 2026-03-02

Versió de l'article dipositat: info:eu-repo/semantics/publishedVersion

Enllaç font original: https://www.sciencedirect.com/science/article/pii/S0360544226002100?via%3Dihub

URL Document de llicència: https://repositori.urv.cat/ca/proteccio-de-dades/

Referència a l'article segons font original: Energy. 345 140108-

Referència de l'ítem segons les normes APA: Huenuvil-Pacheco, Isaias; Viar, Miguel; Zarca, Gabriel; Urtiaga, Ane; Mejia, Andres; Llovell, Felix (2026). Bridging molecular modeling and 3E cycle analysis in absorption cooling using biomass-based solvents. Energy, 345(), 140108-. DOI: 10.1016/j.energy.2026.140108

DOI de l'article: 10.1016/j.energy.2026.140108

Entitat: Universitat Rovira i Virgili

Any de publicació de la revista: 2026-02-15

Tipus de publicació: Journal Publications