Water, ethanol, or methanol for adsorption chillers? Model-based performance prediction from Infrared-Large-Temperature-Jump experiments

Henninger, Matthias; Engelpracht, Mirko; Tuchlinski, Daniel; Ismail, Mohamed; Bardow, André; Seiler, Jan

doi:10.1016/j.applthermaleng.2023.121816

Cited by 3 publications

(4 citation statements)

References 37 publications

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“…Q I–II and Q II–III are assumed to be heat inputs during regeneration. Notably, the reliability of this multiscale model was validated by comparing the experiment results of MIL-101Cr/ethanol and ZIF-8/ethanol . The SCP and COP C obtained from this work are 198 and 353 W/kg and 0.31 and 0.22, respectively, which are fairly close to the experiment results (SCP = 126 W/kg, COP C = 0.18 for MIL-101(Cr), 60 < SCP < 360, 0.18 < COP C < 0.32 for ZIF-8).…”

Section: Methodsmentioning

confidence: 99%

“…Notably, the reliability of this multiscale model was validated by comparing the experiment results of MIL-101Cr/ethanol 30 and ZIF-8/ ethanol. 24 The SCP and COP C obtained from this work are 198 and 353 W/kg and 0.31 and 0.22, respectively, which are fairly close to the experiment results (SCP = 126 W/kg, COP C = 0.18 for MIL-101(Cr), 60 < SCP < 360, 0.18 < COP C < 0.32 for ZIF-8). If the equilibrium adsorption model used in previous work was adopted, COP C of 0.59 and 0.76 were calculated for MIL-101(Cr) and ZIF-8/ethanol, respectively, and a significant discrepancy compared to the experiment results in the AHP system was noticed.…”

Section: Performance Evaluation and Validationmentioning

confidence: 99%

“…23 There are only a few MOFs with dynamic performance (i.e., SCP) that were reported, which is probably due to the long-term and huge efforts during the AHP system experiment. Notably, there are several routes to apply MOFs in the adsorbent bed of AHPs, and the majority are classified into coated 24 and granule 25 types. Al-Dadah et al 26 carried out the experimental testing of the AHP performance of Al-fumarate, CPO-27(Ni), and MIL-100(Fe) granules, in which MIL-100(Fe) showed a high SCP of 226 W/kg at 368 K and Al-fumarate produced 136 W/kg SCP at 363 K. However, it can be noticed that the COP of Alfumarate is higher than that of MIL-100(Fe), which indicates that the trend of SCP is not always consistent with COP and requires further research.…”

Section: Introductionmentioning

confidence: 99%

“…Considering the importance of dynamic performance for working pairs applied in AHPs, we perform the HTCS of MOFs/ethanol by integrating the GCMC simulation, molecular dynamic simulation, and mathematical modeling into multiscale modeling, which was validated by comparing with previous experiment results. , There are several reasons to choose ethanol instead of water in this work. The dominant motivation is to compare the extracted structure–property relationship with our previous equilibrium performance work, especially for COP, from a dynamic perspective. , Besides, the slightly large pore sizes that need to be employed for ethanol may enhance the heat and mass transfer .…”

Section: Introductionmentioning

confidence: 99%

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Performance Evaluation of Metal–Organic Frameworks in Adsorption Heat Pumps via Multiscale Modeling

Liang,

Li,

et al. 2024

ACS Sustainable Chem. Eng.

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The adsorption heat pump (AHP) driven by low-grade thermal energy is a promising technology to reduce building energy consumption for sustainable energy. Using metal−organic frameworks (MOFs) as adsorbents has attracted widespread attention in AHPs due to their large capacity of working fluids, a stepwise adsorption isotherm that tends to possess outstanding equilibrium performance (i.e., coefficient of performance, COP). Nevertheless, the dynamic performance of MOFs in AHPs lacks a quick evaluation and screening strategy, especially for specific cooling power (SCP) that is equally important with COP during operation. Herein, multiscale modeling combining the molecular simulation and the mathematical simulation of AHPs was proposed to obtain the SCP and COP for a vast number of MOF-based working pairs with high efficiency. Structure−property relationship obtained from the high-throughput computational screening of 1072 MOFs indicated that relatively low density (<1 kg/m 3 ), large pore size (>10 Å), and a relatively high void fraction (∼0.6) benefited the improvement of working capacity (ΔW), leading to high performance eventually. From a dynamic perspective, it was also suggested that the adsorption/desorption of working fluids majorly occurring in the temperature ranges of 305−325 and 330− 345 K was favorable for the MOFs to achieve better SCP and COP. Furthermore, the successful implementation of several commonly used machine learning (ML) algorithms paves the way for accelerating the assessment of the dynamic performance for nanoporous materials with reasonable computation time. During the training of ML algorithms, it was revealed that ΔW and transport diffusion were the dominant descriptors for predicting SCP, while equilibrium adsorption performance and MOF density played a vital role in predicting COP.

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Section: Methodsmentioning

confidence: 99%

Section: Performance Evaluation and Validationmentioning

confidence: 99%