Molecular understanding of the impacts of structural characteristics on ethanol adsorption performance for adsorption heat pumps

Li, Wei; Liu, Zhilu; Wu, Weixiong; Li, Song

doi:10.1039/d2me00222a

Cited by 4 publications

(5 citation statements)

References 51 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The pore size of the MOFs also affects the performance of this MOF–refrigerant pair toward adsorption cooling. Therefore, more efforts toward studying MOFs with expanded pore structure should be done to further enhance the alcohol uptake and working capacity …”

Section: Enfs–other Refrigerant Pairsmentioning

confidence: 99%

See 1 more Smart Citation

Engineered Nanoporous Frameworks for Adsorption Cooling Applications

Shen,

Kumar,

Wahiduzzaman

et al. 2024

Chem. Rev.

View full text Add to dashboard Cite

The energy demand for traditional vapor-compressed technology for space cooling continues to soar year after year due to global warming and the increasing human population's need to improve living and working conditions. Thus, there is a growing demand for eco-friendly technologies that use sustainable or waste energy resources. This review discusses the properties of various refrigerants used for adsorption cooling applications followed by a brief discussion on the thermodynamic cycle. Next, sorbents traditionally used for cooling are reviewed to emphasize the need for advanced capture materials with superior properties to improve refrigerant sorption. The remainder of the review focus on studies using engineered nanoporous frameworks (ENFs) with various refrigerants for adsorption cooling applications. The effects of the various factors that play a role in ENF−refrigerant pair selection, including pore structure/ dimension/shape, morphology, open-metal sites, pore chemistry and possible presence of defects, are reviewed. Next, in-depth insights into the sorbent−refrigerant interaction, and pore filling mechanism gained through a combination of characterization techniques and computational modeling are discussed. Finally, we outline the challenges and opportunities related to using ENFs for adsorption cooling applications and provide our views on the future of this technology.

show abstract

Section: Enfs–other Refrigerant Pairsmentioning

confidence: 99%

“…Therefore, more efforts toward studying MOFs with expanded pore structure should be done to further enhance the alcohol uptake and working capacity. 199…”

Section: Alcohols (Ethanol/methanol)mentioning

confidence: 99%

Engineered Nanoporous Frameworks for Adsorption Cooling Applications

Shen,

Kumar,

Wahiduzzaman

et al. 2024

Chem. Rev.

View full text Add to dashboard Cite

show abstract

“…There are tens of working pairs that were screened out with outstanding working capacity, suitable step location, and excellent COP, including SUKYIH/ethanol, COF-5/ethanol, MOF-841/water, and CAU-10pydc/water . Furthermore, the structure–property relationship reveals that the medium pore size (10–15 Å) is more preferential for high COP, in which small pore size MOFs limit the capacity of working fluids, while large pore size MOFs tend to have weak interaction that exhibits an unsatisfactory shape of the adsorption isotherm. , …”

Section: Introductionmentioning

confidence: 99%

“…Metal–organic frameworks (MOFs) are crystalline nanoporous materials composed of metal nodes and organic linkers, which possess many advantageous properties including ultrahigh surface areas, large pore volumes, and tunable structures that are favorable for gas adsorption. Meanwhile, water, , methanol, and ethanol , are commonly used as working fluids with MOFs in AHPs , for their environmental friendliness. Recently, a series of MOFs have been synthesized with significantly high working capacity (Δ W ) and excellent equilibrium performance reflected by COP, including Co 2 Cl 2 BTDD, MIP-200, CAU-23, and Zr-fumarate .…”

Section: Introductionmentioning

confidence: 99%

“…3 Furthermore, the structure−property relationship reveals that the medium pore size (10−15 Å) is more preferential for high COP, in which small pore size MOFs limit the capacity of working fluids, while large pore size MOFs tend to have weak interaction that exhibits an unsatisfactory shape of the adsorption isotherm. 6,22 Nevertheless, it was noticed that the lack of a solution for quick evaluation of dynamic performance, whether in the synthesis of novel MOFs or high-throughput computational screening 23 suitable candidate for AHPs, especially for the cooling power (i.e., SCP) that is equally important with COP for engineering practice. 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.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

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

Liang,

Li,

et al. 2024

ACS Sustainable Chem. Eng.

Self Cite

View full text Add to dashboard Cite

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.

show abstract

In-situ synthesis Al-fumarate on polyurethane foam as a monolithic desiccant for adsorption heat pump systems

Chen,

Liang,

Liao

et al. 2024

Materials Today Communications

View full text Add to dashboard Cite

Molecular understanding of the impacts of structural characteristics on ethanol adsorption performance for adsorption heat pumps

Abstract: Adsorption heat pumps (AHPs) powered by low-grade waste heat or renewable energy can reduce electricity consumption and carbon emission. The exploration of the high-performing adsorbents of AHPs is the key...

Cited by 4 publications

References 51 publications

Engineered Nanoporous Frameworks for Adsorption Cooling Applications

Engineered Nanoporous Frameworks for Adsorption Cooling Applications

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

In-situ synthesis Al-fumarate on polyurethane foam as a monolithic desiccant for adsorption heat pump systems

Contact Info

Product

Resources

About