An advanced reaction model determination methodology in solid-state kinetics based on Arrhenius parameters variation
Abstract The Arrhenius parameters variation with the conversion degree of reaction is generally due to the overlapping of parallel or consecutive reactions, and the solution of the problem must imply the deconvolution of the overlapping reaction rather than fitting the experimental curve by assuming...
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| Autor*in: |
Shahcheraghi, Seyed Hadi [verfasserIn] |
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| Format: |
Artikel |
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| Sprache: |
Englisch |
| Erschienen: |
2016 |
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| Schlagwörter: |
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| Anmerkung: |
© Akadémiai Kiadó, Budapest, Hungary 2016 |
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| Übergeordnetes Werk: |
Enthalten in: Journal of thermal analysis and calorimetry - Springer Netherlands, 1998, 126(2016), 2 vom: 28. Apr., Seite 981-993 |
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| Übergeordnetes Werk: |
volume:126 ; year:2016 ; number:2 ; day:28 ; month:04 ; pages:981-993 |
| Links: |
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| DOI / URN: |
10.1007/s10973-016-5473-z |
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OLC2049848005 |
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| 520 | |a Abstract The Arrhenius parameters variation with the conversion degree of reaction is generally due to the overlapping of parallel or consecutive reactions, and the solution of the problem must imply the deconvolution of the overlapping reaction rather than fitting the experimental curve by assuming variable kinetic parameters. The reaction model determination methods are based on the choice of constant Arrhenius parameters and the use of approximations. To solve this major limitation, a new method for the determination of reaction model based on the Arrhenius parameters variation was proposed. This method appears to accurately simulate single-step as well as multi-step reactions kinetics. The proposed method is based on the general rate equation. The method was validated on artificial data calculated for the various dependences of kinetic parameters on conversion. Then, the method was applied for the non-isothermal crystallization kinetics of the amorphous dehydrated $ Cu_{4} $$ SO_{4} $(OH)6, i.e., $ Cu_{4} $$ SO_{4} $$ O_{3} $ to CuO and CuO·$ CuSO_{4} $ in the nano–scale range. The results were compared with the well-known reaction model determination methods and interpreted. | ||
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10.1007/s10973-016-5473-z doi (DE-627)OLC2049848005 (DE-He213)s10973-016-5473-z-p DE-627 ger DE-627 rakwb eng 660 VZ Shahcheraghi, Seyed Hadi verfasserin aut An advanced reaction model determination methodology in solid-state kinetics based on Arrhenius parameters variation 2016 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Akadémiai Kiadó, Budapest, Hungary 2016 Abstract The Arrhenius parameters variation with the conversion degree of reaction is generally due to the overlapping of parallel or consecutive reactions, and the solution of the problem must imply the deconvolution of the overlapping reaction rather than fitting the experimental curve by assuming variable kinetic parameters. The reaction model determination methods are based on the choice of constant Arrhenius parameters and the use of approximations. To solve this major limitation, a new method for the determination of reaction model based on the Arrhenius parameters variation was proposed. This method appears to accurately simulate single-step as well as multi-step reactions kinetics. The proposed method is based on the general rate equation. The method was validated on artificial data calculated for the various dependences of kinetic parameters on conversion. Then, the method was applied for the non-isothermal crystallization kinetics of the amorphous dehydrated $ Cu_{4} $$ SO_{4} $(OH)6, i.e., $ Cu_{4} $$ SO_{4} $$ O_{3} $ to CuO and CuO·$ CuSO_{4} $ in the nano–scale range. The results were compared with the well-known reaction model determination methods and interpreted. Thermal crystallization Reaction model Solid-state kinetics Multi-step reactions kinetics Tenorite nanoparticles Khayati, Gholam Reza aut Ranjbar, Mohammad aut Enthalten in Journal of thermal analysis and calorimetry Springer Netherlands, 1998 126(2016), 2 vom: 28. Apr., Seite 981-993 (DE-627)244148767 (DE-600)1429493-X (DE-576)066397693 1388-6150 nnns volume:126 year:2016 number:2 day:28 month:04 pages:981-993 https://doi.org/10.1007/s10973-016-5473-z lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-CHE GBV_ILN_70 AR 126 2016 2 28 04 981-993 |
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10.1007/s10973-016-5473-z doi (DE-627)OLC2049848005 (DE-He213)s10973-016-5473-z-p DE-627 ger DE-627 rakwb eng 660 VZ Shahcheraghi, Seyed Hadi verfasserin aut An advanced reaction model determination methodology in solid-state kinetics based on Arrhenius parameters variation 2016 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Akadémiai Kiadó, Budapest, Hungary 2016 Abstract The Arrhenius parameters variation with the conversion degree of reaction is generally due to the overlapping of parallel or consecutive reactions, and the solution of the problem must imply the deconvolution of the overlapping reaction rather than fitting the experimental curve by assuming variable kinetic parameters. The reaction model determination methods are based on the choice of constant Arrhenius parameters and the use of approximations. To solve this major limitation, a new method for the determination of reaction model based on the Arrhenius parameters variation was proposed. This method appears to accurately simulate single-step as well as multi-step reactions kinetics. The proposed method is based on the general rate equation. The method was validated on artificial data calculated for the various dependences of kinetic parameters on conversion. Then, the method was applied for the non-isothermal crystallization kinetics of the amorphous dehydrated $ Cu_{4} $$ SO_{4} $(OH)6, i.e., $ Cu_{4} $$ SO_{4} $$ O_{3} $ to CuO and CuO·$ CuSO_{4} $ in the nano–scale range. The results were compared with the well-known reaction model determination methods and interpreted. Thermal crystallization Reaction model Solid-state kinetics Multi-step reactions kinetics Tenorite nanoparticles Khayati, Gholam Reza aut Ranjbar, Mohammad aut Enthalten in Journal of thermal analysis and calorimetry Springer Netherlands, 1998 126(2016), 2 vom: 28. Apr., Seite 981-993 (DE-627)244148767 (DE-600)1429493-X (DE-576)066397693 1388-6150 nnns volume:126 year:2016 number:2 day:28 month:04 pages:981-993 https://doi.org/10.1007/s10973-016-5473-z lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-CHE GBV_ILN_70 AR 126 2016 2 28 04 981-993 |
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10.1007/s10973-016-5473-z doi (DE-627)OLC2049848005 (DE-He213)s10973-016-5473-z-p DE-627 ger DE-627 rakwb eng 660 VZ Shahcheraghi, Seyed Hadi verfasserin aut An advanced reaction model determination methodology in solid-state kinetics based on Arrhenius parameters variation 2016 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Akadémiai Kiadó, Budapest, Hungary 2016 Abstract The Arrhenius parameters variation with the conversion degree of reaction is generally due to the overlapping of parallel or consecutive reactions, and the solution of the problem must imply the deconvolution of the overlapping reaction rather than fitting the experimental curve by assuming variable kinetic parameters. The reaction model determination methods are based on the choice of constant Arrhenius parameters and the use of approximations. To solve this major limitation, a new method for the determination of reaction model based on the Arrhenius parameters variation was proposed. This method appears to accurately simulate single-step as well as multi-step reactions kinetics. The proposed method is based on the general rate equation. The method was validated on artificial data calculated for the various dependences of kinetic parameters on conversion. Then, the method was applied for the non-isothermal crystallization kinetics of the amorphous dehydrated $ Cu_{4} $$ SO_{4} $(OH)6, i.e., $ Cu_{4} $$ SO_{4} $$ O_{3} $ to CuO and CuO·$ CuSO_{4} $ in the nano–scale range. The results were compared with the well-known reaction model determination methods and interpreted. Thermal crystallization Reaction model Solid-state kinetics Multi-step reactions kinetics Tenorite nanoparticles Khayati, Gholam Reza aut Ranjbar, Mohammad aut Enthalten in Journal of thermal analysis and calorimetry Springer Netherlands, 1998 126(2016), 2 vom: 28. Apr., Seite 981-993 (DE-627)244148767 (DE-600)1429493-X (DE-576)066397693 1388-6150 nnns volume:126 year:2016 number:2 day:28 month:04 pages:981-993 https://doi.org/10.1007/s10973-016-5473-z lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-CHE GBV_ILN_70 AR 126 2016 2 28 04 981-993 |
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10.1007/s10973-016-5473-z doi (DE-627)OLC2049848005 (DE-He213)s10973-016-5473-z-p DE-627 ger DE-627 rakwb eng 660 VZ Shahcheraghi, Seyed Hadi verfasserin aut An advanced reaction model determination methodology in solid-state kinetics based on Arrhenius parameters variation 2016 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Akadémiai Kiadó, Budapest, Hungary 2016 Abstract The Arrhenius parameters variation with the conversion degree of reaction is generally due to the overlapping of parallel or consecutive reactions, and the solution of the problem must imply the deconvolution of the overlapping reaction rather than fitting the experimental curve by assuming variable kinetic parameters. The reaction model determination methods are based on the choice of constant Arrhenius parameters and the use of approximations. To solve this major limitation, a new method for the determination of reaction model based on the Arrhenius parameters variation was proposed. This method appears to accurately simulate single-step as well as multi-step reactions kinetics. The proposed method is based on the general rate equation. The method was validated on artificial data calculated for the various dependences of kinetic parameters on conversion. Then, the method was applied for the non-isothermal crystallization kinetics of the amorphous dehydrated $ Cu_{4} $$ SO_{4} $(OH)6, i.e., $ Cu_{4} $$ SO_{4} $$ O_{3} $ to CuO and CuO·$ CuSO_{4} $ in the nano–scale range. The results were compared with the well-known reaction model determination methods and interpreted. Thermal crystallization Reaction model Solid-state kinetics Multi-step reactions kinetics Tenorite nanoparticles Khayati, Gholam Reza aut Ranjbar, Mohammad aut Enthalten in Journal of thermal analysis and calorimetry Springer Netherlands, 1998 126(2016), 2 vom: 28. Apr., Seite 981-993 (DE-627)244148767 (DE-600)1429493-X (DE-576)066397693 1388-6150 nnns volume:126 year:2016 number:2 day:28 month:04 pages:981-993 https://doi.org/10.1007/s10973-016-5473-z lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-CHE GBV_ILN_70 AR 126 2016 2 28 04 981-993 |
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10.1007/s10973-016-5473-z doi (DE-627)OLC2049848005 (DE-He213)s10973-016-5473-z-p DE-627 ger DE-627 rakwb eng 660 VZ Shahcheraghi, Seyed Hadi verfasserin aut An advanced reaction model determination methodology in solid-state kinetics based on Arrhenius parameters variation 2016 Text txt rdacontent ohne Hilfsmittel zu benutzen n rdamedia Band nc rdacarrier © Akadémiai Kiadó, Budapest, Hungary 2016 Abstract The Arrhenius parameters variation with the conversion degree of reaction is generally due to the overlapping of parallel or consecutive reactions, and the solution of the problem must imply the deconvolution of the overlapping reaction rather than fitting the experimental curve by assuming variable kinetic parameters. The reaction model determination methods are based on the choice of constant Arrhenius parameters and the use of approximations. To solve this major limitation, a new method for the determination of reaction model based on the Arrhenius parameters variation was proposed. This method appears to accurately simulate single-step as well as multi-step reactions kinetics. The proposed method is based on the general rate equation. The method was validated on artificial data calculated for the various dependences of kinetic parameters on conversion. Then, the method was applied for the non-isothermal crystallization kinetics of the amorphous dehydrated $ Cu_{4} $$ SO_{4} $(OH)6, i.e., $ Cu_{4} $$ SO_{4} $$ O_{3} $ to CuO and CuO·$ CuSO_{4} $ in the nano–scale range. The results were compared with the well-known reaction model determination methods and interpreted. Thermal crystallization Reaction model Solid-state kinetics Multi-step reactions kinetics Tenorite nanoparticles Khayati, Gholam Reza aut Ranjbar, Mohammad aut Enthalten in Journal of thermal analysis and calorimetry Springer Netherlands, 1998 126(2016), 2 vom: 28. Apr., Seite 981-993 (DE-627)244148767 (DE-600)1429493-X (DE-576)066397693 1388-6150 nnns volume:126 year:2016 number:2 day:28 month:04 pages:981-993 https://doi.org/10.1007/s10973-016-5473-z lizenzpflichtig Volltext GBV_USEFLAG_A SYSFLAG_A GBV_OLC SSG-OLC-TEC SSG-OLC-CHE GBV_ILN_70 AR 126 2016 2 28 04 981-993 |
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an advanced reaction model determination methodology in solid-state kinetics based on arrhenius parameters variation |
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An advanced reaction model determination methodology in solid-state kinetics based on Arrhenius parameters variation |
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Abstract The Arrhenius parameters variation with the conversion degree of reaction is generally due to the overlapping of parallel or consecutive reactions, and the solution of the problem must imply the deconvolution of the overlapping reaction rather than fitting the experimental curve by assuming variable kinetic parameters. The reaction model determination methods are based on the choice of constant Arrhenius parameters and the use of approximations. To solve this major limitation, a new method for the determination of reaction model based on the Arrhenius parameters variation was proposed. This method appears to accurately simulate single-step as well as multi-step reactions kinetics. The proposed method is based on the general rate equation. The method was validated on artificial data calculated for the various dependences of kinetic parameters on conversion. Then, the method was applied for the non-isothermal crystallization kinetics of the amorphous dehydrated $ Cu_{4} $$ SO_{4} $(OH)6, i.e., $ Cu_{4} $$ SO_{4} $$ O_{3} $ to CuO and CuO·$ CuSO_{4} $ in the nano–scale range. The results were compared with the well-known reaction model determination methods and interpreted. © Akadémiai Kiadó, Budapest, Hungary 2016 |
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Abstract The Arrhenius parameters variation with the conversion degree of reaction is generally due to the overlapping of parallel or consecutive reactions, and the solution of the problem must imply the deconvolution of the overlapping reaction rather than fitting the experimental curve by assuming variable kinetic parameters. The reaction model determination methods are based on the choice of constant Arrhenius parameters and the use of approximations. To solve this major limitation, a new method for the determination of reaction model based on the Arrhenius parameters variation was proposed. This method appears to accurately simulate single-step as well as multi-step reactions kinetics. The proposed method is based on the general rate equation. The method was validated on artificial data calculated for the various dependences of kinetic parameters on conversion. Then, the method was applied for the non-isothermal crystallization kinetics of the amorphous dehydrated $ Cu_{4} $$ SO_{4} $(OH)6, i.e., $ Cu_{4} $$ SO_{4} $$ O_{3} $ to CuO and CuO·$ CuSO_{4} $ in the nano–scale range. The results were compared with the well-known reaction model determination methods and interpreted. © Akadémiai Kiadó, Budapest, Hungary 2016 |
| abstract_unstemmed |
Abstract The Arrhenius parameters variation with the conversion degree of reaction is generally due to the overlapping of parallel or consecutive reactions, and the solution of the problem must imply the deconvolution of the overlapping reaction rather than fitting the experimental curve by assuming variable kinetic parameters. The reaction model determination methods are based on the choice of constant Arrhenius parameters and the use of approximations. To solve this major limitation, a new method for the determination of reaction model based on the Arrhenius parameters variation was proposed. This method appears to accurately simulate single-step as well as multi-step reactions kinetics. The proposed method is based on the general rate equation. The method was validated on artificial data calculated for the various dependences of kinetic parameters on conversion. Then, the method was applied for the non-isothermal crystallization kinetics of the amorphous dehydrated $ Cu_{4} $$ SO_{4} $(OH)6, i.e., $ Cu_{4} $$ SO_{4} $$ O_{3} $ to CuO and CuO·$ CuSO_{4} $ in the nano–scale range. The results were compared with the well-known reaction model determination methods and interpreted. © Akadémiai Kiadó, Budapest, Hungary 2016 |
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An advanced reaction model determination methodology in solid-state kinetics based on Arrhenius parameters variation |
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Khayati, Gholam Reza Ranjbar, Mohammad |
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