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<p>Water adsorption on Aluminium Fumarate (Al-Fum), a promising MOF for low-temperature heat-driven applications, exhibits complex isotherm shapes that challenge conventional modeling approaches. In this work, we develop a physically grounded dual-site adsorption model that combines Langmuir adsorption on high-energy sites with cooperative water clustering based on association theory. The model reproduces full isotherm profiles across a broad temperature range (20–90&#xa0;°C) using eight temperature-independent parameters with clear physical significance. The model achieves excellent agreement (adjusted R² = 0.9957), accurately capturing both low-pressure concavity and the S-shaped transition. It also enables the calculation of isosteres and isosteric heats of adsorption, revealing distinct thermodynamic regimes governed by the two adsorption mechanisms. To demonstrate system-level relevance, the model is applied to a typical intermittent adsorption cooling cycle operating at 10/30/60°C. Al-Fum delivers a thermal COP of 0.785 (excluding heat exchangers’ sensible heat) and a cycled mass of 177.5&#xa0;g kg⁻¹, outperforming benchmark materials. This work provides a robust, physically sound modeling tool for the design and optimization of advanced adsorption-based thermal systems.</p>

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Dual-Site (Langmuir-Association Theory) model for Al-Fumarate/Water isotherms

  • 期刊论文

  • 发表日期：

    2025年10月15日

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  • Amín Altamirano,
  • Cécile Daniel,
  • David Farrusseng,
  • Francis Meunier,
  • Orhan Talu

摘要

Water adsorption on Aluminium Fumarate (Al-Fum), a promising MOF for low-temperature heat-driven applications, exhibits complex isotherm shapes that challenge conventional modeling approaches. In this work, we develop a physically grounded dual-site adsorption model that combines Langmuir adsorption on high-energy sites with cooperative water clustering based on association theory. The model reproduces full isotherm profiles across a broad temperature range (20–90 °C) using eight temperature-independent parameters with clear physical significance. The model achieves excellent agreement (adjusted R² = 0.9957), accurately capturing both low-pressure concavity and the S-shaped transition. It also enables the calculation of isosteres and isosteric heats of adsorption, revealing distinct thermodynamic regimes governed by the two adsorption mechanisms. To demonstrate system-level relevance, the model is applied to a typical intermittent adsorption cooling cycle operating at 10/30/60°C. Al-Fum delivers a thermal COP of 0.785 (excluding heat exchangers’ sensible heat) and a cycled mass of 177.5 g kg⁻¹, outperforming benchmark materials. This work provides a robust, physically sound modeling tool for the design and optimization of advanced adsorption-based thermal systems.