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Investigation of pore size effect on thermally driven CO₂ sorption compressor performance, using molecular simulations.

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Title: Investigation of pore size effect on thermally driven CO₂ sorption compressor performance, using molecular simulations.
Authors: Shapira, Roei1 (AUTHOR) roeis@ariel.ac.il, Tzabar, Nir1 (AUTHOR)
Source: International Journal of Refrigeration. May2026, Vol. 185, p177-186. 10p.
Subjects: Pore size (Materials), Compressor performance, Pore size distribution, Adsorption capacity, Molecular models
Abstract: • Molecular simulation method is being used for the benefit of increasing sorption compressor efficiency. • The research focuses on sorption compressors for CO 2 , aiming for air-conditioning and refrigeration applications. • Different adsorbent's pore sized are investigated, showing the existence of an optimum pore for sorption compressor applications. • Compressor efficiency is governed by favorable desorption energy input, rather than maximizing the total adsorption capacity. • The efficiency is optimized by a mass-to-heat ratio, which quantifies the compressor's flow rate per a unit of input energy. Thermally driven sorption compressors are a promising technology for utilizing low-grade waste heat for refrigeration and air conditioning, and their performance is highly dependent on the adsorption characteristics of the working materials. Existing optimization efforts typically focus on system design or maximizing adsorption capacity, while the fundamental impact of pore geometry on compressor performance remains unexplored at the molecular level. This study uses Grand Canonical Monte Carlo (GCMC) simulations to investigate the effect of carbon slit-pore width (10 Å to 60 Å) on the performance of a CO₂ sorption compressor, quantified by a Mass to Heat Ratio (MHR) relating delivered mass to total heat input. The research focuses on operating temperatures below 410 K. The results reveal a strong relationship between the MHR, pore size, and operating temperatures. Molecular-level analysis through density profiles and simulation snapshots reveals that peak performance at a 20 Å is driven by high packing density which maximizes mass release, effectively compensating for the energetic penalty. For larger pores, performance declines as the mass capacity diminishes while the relative energy cost rises. These findings suggest that adsorbent design should focus on creating a narrow pore size distribution in the optimal range to achieve the most energetically favorable structure for desorption, providing a direct means to enhance the Coefficient of Performance (COP) of sorption compressor based vapor compression systems. [ABSTRACT FROM AUTHOR]
Copyright of International Journal of Refrigeration is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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Header DbId: egs
DbLabel: Engineering Source
An: 192260941
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
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IllustrationInfo
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  Label: Title
  Group: Ti
  Data: Investigation of pore size effect on thermally driven CO₂ sorption compressor performance, using molecular simulations.
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  Data: <searchLink fieldCode="AR" term="%22Shapira%2C+Roei%22">Shapira, Roei</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> roeis@ariel.ac.il</i><br /><searchLink fieldCode="AR" term="%22Tzabar%2C+Nir%22">Tzabar, Nir</searchLink><relatesTo>1</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22International+Journal+of+Refrigeration%22">International Journal of Refrigeration</searchLink>. May2026, Vol. 185, p177-186. 10p.
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  Data: <searchLink fieldCode="DE" term="%22Pore+size+%28Materials%29%22">Pore size (Materials)</searchLink><br /><searchLink fieldCode="DE" term="%22Compressor+performance%22">Compressor performance</searchLink><br /><searchLink fieldCode="DE" term="%22Pore+size+distribution%22">Pore size distribution</searchLink><br /><searchLink fieldCode="DE" term="%22Adsorption+capacity%22">Adsorption capacity</searchLink><br /><searchLink fieldCode="DE" term="%22Molecular+models%22">Molecular models</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: • Molecular simulation method is being used for the benefit of increasing sorption compressor efficiency. • The research focuses on sorption compressors for CO 2 , aiming for air-conditioning and refrigeration applications. • Different adsorbent's pore sized are investigated, showing the existence of an optimum pore for sorption compressor applications. • Compressor efficiency is governed by favorable desorption energy input, rather than maximizing the total adsorption capacity. • The efficiency is optimized by a mass-to-heat ratio, which quantifies the compressor's flow rate per a unit of input energy. Thermally driven sorption compressors are a promising technology for utilizing low-grade waste heat for refrigeration and air conditioning, and their performance is highly dependent on the adsorption characteristics of the working materials. Existing optimization efforts typically focus on system design or maximizing adsorption capacity, while the fundamental impact of pore geometry on compressor performance remains unexplored at the molecular level. This study uses Grand Canonical Monte Carlo (GCMC) simulations to investigate the effect of carbon slit-pore width (10 Å to 60 Å) on the performance of a CO₂ sorption compressor, quantified by a Mass to Heat Ratio (MHR) relating delivered mass to total heat input. The research focuses on operating temperatures below 410 K. The results reveal a strong relationship between the MHR, pore size, and operating temperatures. Molecular-level analysis through density profiles and simulation snapshots reveals that peak performance at a 20 Å is driven by high packing density which maximizes mass release, effectively compensating for the energetic penalty. For larger pores, performance declines as the mass capacity diminishes while the relative energy cost rises. These findings suggest that adsorbent design should focus on creating a narrow pore size distribution in the optimal range to achieve the most energetically favorable structure for desorption, providing a direct means to enhance the Coefficient of Performance (COP) of sorption compressor based vapor compression systems. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of International Journal of Refrigeration is the property of Elsevier B.V. and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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    Identifiers:
      – Type: doi
        Value: 10.1016/j.ijrefrig.2026.02.013
    Languages:
      – Code: eng
        Text: English
    PhysicalDescription:
      Pagination:
        PageCount: 10
        StartPage: 177
    Subjects:
      – SubjectFull: Pore size (Materials)
        Type: general
      – SubjectFull: Compressor performance
        Type: general
      – SubjectFull: Pore size distribution
        Type: general
      – SubjectFull: Adsorption capacity
        Type: general
      – SubjectFull: Molecular models
        Type: general
    Titles:
      – TitleFull: Investigation of pore size effect on thermally driven CO₂ sorption compressor performance, using molecular simulations.
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            NameFull: Shapira, Roei
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            NameFull: Tzabar, Nir
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          Dates:
            – D: 01
              M: 05
              Text: May2026
              Type: published
              Y: 2026
          Identifiers:
            – Type: issn-print
              Value: 01407007
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              Value: 185
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            – TitleFull: International Journal of Refrigeration
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