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A Systematic Hierarchical Thermodynamic Analysis of Hydrogen Producing Iron−Chlorine Reaction Clusters.

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Title: A Systematic Hierarchical Thermodynamic Analysis of Hydrogen Producing Iron−Chlorine Reaction Clusters.
Authors: Ryan J. Andress1, Lealon L. Martin1
Source: Industrial & Engineering Chemistry Research. Feb2011, Vol. 50 Issue 3, p1278-1293. 16p.
Subjects: Thermodynamics, Hydrogen, Chlorine, Chemical reactions, Microclusters, Linear statistical models
Abstract: Here, we apply our systematic methodology for thermochemical cycle evaluation to the well-studied Fe−Cl system. Using an integer linear program, thermochemical cycles are identified from species consisting of Fe, Cl, H, and O atoms and a corresponding nonlinear (in temperature) thermodynamic database. Using Aspen Plus simulation software and heat pinch analysis, maximum attainable cycle efficiencies of up to 51% are calculated, exceeding our base-level target of 35%. The most promising of these cycles is evaluated in more detail considering thermodynamic yields. A higher-level evaluation results in a significant reduction in cycle efficiency due to increased thermal requirements resulting from low-yield reactions and competing by-products. Results of this higher-level analysis and the base-level analysis are consistent with literature findings on Fe−Cl thermochemical cycles. [ABSTRACT FROM AUTHOR]
Copyright of Industrial & Engineering Chemistry Research is the property of American Chemical Society 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.)
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  Data: <searchLink fieldCode="JN" term="%22Industrial+%26+Engineering+Chemistry+Research%22">Industrial & Engineering Chemistry Research</searchLink>. Feb2011, Vol. 50 Issue 3, p1278-1293. 16p.
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  Data: <searchLink fieldCode="DE" term="%22Thermodynamics%22">Thermodynamics</searchLink><br /><searchLink fieldCode="DE" term="%22Hydrogen%22">Hydrogen</searchLink><br /><searchLink fieldCode="DE" term="%22Chlorine%22">Chlorine</searchLink><br /><searchLink fieldCode="DE" term="%22Chemical+reactions%22">Chemical reactions</searchLink><br /><searchLink fieldCode="DE" term="%22Microclusters%22">Microclusters</searchLink><br /><searchLink fieldCode="DE" term="%22Linear+statistical+models%22">Linear statistical models</searchLink>
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  Data: Here, we apply our systematic methodology for thermochemical cycle evaluation to the well-studied Fe−Cl system. Using an integer linear program, thermochemical cycles are identified from species consisting of Fe, Cl, H, and O atoms and a corresponding nonlinear (in temperature) thermodynamic database. Using Aspen Plus simulation software and heat pinch analysis, maximum attainable cycle efficiencies of up to 51% are calculated, exceeding our base-level target of 35%. The most promising of these cycles is evaluated in more detail considering thermodynamic yields. A higher-level evaluation results in a significant reduction in cycle efficiency due to increased thermal requirements resulting from low-yield reactions and competing by-products. Results of this higher-level analysis and the base-level analysis are consistent with literature findings on Fe−Cl thermochemical cycles. [ABSTRACT FROM AUTHOR]
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  Data: <i>Copyright of Industrial & Engineering Chemistry Research is the property of American Chemical Society 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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        Value: 10.1021/ie100398r
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        Text: English
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        PageCount: 16
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      – SubjectFull: Thermodynamics
        Type: general
      – SubjectFull: Hydrogen
        Type: general
      – SubjectFull: Chlorine
        Type: general
      – SubjectFull: Chemical reactions
        Type: general
      – SubjectFull: Microclusters
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      – SubjectFull: Linear statistical models
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      – TitleFull: A Systematic Hierarchical Thermodynamic Analysis of Hydrogen Producing Iron−Chlorine Reaction Clusters.
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              Text: Feb2011
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