Investigation on the thermal hazard and decomposition behaviors of tert-butyl (2-ethylhexyl) monoperoxy carbonate via STA, DSC, and FTIR
In plastic industry, liquid organic peroxides are prevailingly used to manufacture polymer materials. Unfortunately, a corresponding diversity of thermal hazards about instrument damage, fire, explosion, economic loss, and even casualty is engendered. This study focused on the comprehensive investig...
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Veröffentlicht in: | Journal of thermal analysis and calorimetry 2023-06, Vol.148 (11), p.4969-4976 |
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description | In plastic industry, liquid organic peroxides are prevailingly used to manufacture polymer materials. Unfortunately, a corresponding diversity of thermal hazards about instrument damage, fire, explosion, economic loss, and even casualty is engendered. This study focused on the comprehensive investigation to detect the specific thermal reactions and decomposition characteristics of
tert
-butyl (2-ethylhexyl) monoperoxy carbonate (TBEC) which is commonly used as polymerization initiator. First, simultaneous thermogravimetric analyzer was used to record the data in dynamic heating experiments and two mass loss stages were observed of TBEC. To further estimate the thermal stability of TBEC, differential scanning calorimetry was adopted to collect the thermokinetic parameters. Moreover, Flynn–Wall–Ozawa and ASTM E698-16 kinetic methods were applied for calculating the apparent activation energy of TBEC with different conversion rates. Then, thermogravimetric analyzer and FTIR spectrometer were utilized to detect the gaseous decomposition products of TBEC. The results show that TBEC is a Class 2 hazardous substance with high explosion hazard. The gaseous decomposition product of TBEC is
tert
-butyl alcohol, carbon dioxide, and 2-ethylhexanol. Furthermore, numerical simulation was employed to obtain the time to maximum rate under the adiabatic conditions of TBEC which can provide a predictive model for the industry. On the other hand, the explosion possibility of TBEC was assessed via oxygen balance. The findings of this study can provide the thermal hazard information of TBEC under upset scenarios and used to develop an instruction system to peter the related incidents. |
doi_str_mv | 10.1007/s10973-023-12021-7 |
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tert
-butyl (2-ethylhexyl) monoperoxy carbonate (TBEC) which is commonly used as polymerization initiator. First, simultaneous thermogravimetric analyzer was used to record the data in dynamic heating experiments and two mass loss stages were observed of TBEC. To further estimate the thermal stability of TBEC, differential scanning calorimetry was adopted to collect the thermokinetic parameters. Moreover, Flynn–Wall–Ozawa and ASTM E698-16 kinetic methods were applied for calculating the apparent activation energy of TBEC with different conversion rates. Then, thermogravimetric analyzer and FTIR spectrometer were utilized to detect the gaseous decomposition products of TBEC. The results show that TBEC is a Class 2 hazardous substance with high explosion hazard. The gaseous decomposition product of TBEC is
tert
-butyl alcohol, carbon dioxide, and 2-ethylhexanol. Furthermore, numerical simulation was employed to obtain the time to maximum rate under the adiabatic conditions of TBEC which can provide a predictive model for the industry. On the other hand, the explosion possibility of TBEC was assessed via oxygen balance. The findings of this study can provide the thermal hazard information of TBEC under upset scenarios and used to develop an instruction system to peter the related incidents.</description><identifier>ISSN: 1388-6150</identifier><identifier>EISSN: 1588-2926</identifier><identifier>DOI: 10.1007/s10973-023-12021-7</identifier><language>eng</language><publisher>Cham: Springer International Publishing</publisher><subject>Adiabatic conditions ; Analytical Chemistry ; Butanol ; Calorimetry ; Carbon dioxide ; Carbonates ; Chemistry ; Chemistry and Materials Science ; Decomposition ; Decomposition reactions ; Economic impact ; Explosions ; Fire damage ; Fire hazards ; FTIR spectrometers ; Hazardous materials ; Inorganic Chemistry ; Investigations ; Mathematical models ; Measurement Science and Instrumentation ; Organic peroxides ; Peroxides ; Physical Chemistry ; Polymer Sciences ; Polymerization ; Prediction models ; Simulation methods ; Thermal stability ; Thermogravimetric analysis</subject><ispartof>Journal of thermal analysis and calorimetry, 2023-06, Vol.148 (11), p.4969-4976</ispartof><rights>Akadémiai Kiadó, Budapest, Hungary 2023. Springer Nature or its licensor (e.g. a society or other partner) holds exclusive rights to this article under a publishing agreement with the author(s) or other rightsholder(s); author self-archiving of the accepted manuscript version of this article is solely governed by the terms of such publishing agreement and applicable law.</rights><rights>COPYRIGHT 2023 Springer</rights><lds50>peer_reviewed</lds50><woscitedreferencessubscribed>false</woscitedreferencessubscribed><citedby>FETCH-LOGICAL-c358t-2926216c51c7a1861b7966f612c0f94ababb4c230ac4515568f6d84b703a159d3</citedby><cites>FETCH-LOGICAL-c358t-2926216c51c7a1861b7966f612c0f94ababb4c230ac4515568f6d84b703a159d3</cites></display><links><openurl>$$Topenurl_article</openurl><openurlfulltext>$$Topenurlfull_article</openurlfulltext><thumbnail>$$Tsyndetics_thumb_exl</thumbnail><linktopdf>$$Uhttps://link.springer.com/content/pdf/10.1007/s10973-023-12021-7$$EPDF$$P50$$Gspringer$$H</linktopdf><linktohtml>$$Uhttps://link.springer.com/10.1007/s10973-023-12021-7$$EHTML$$P50$$Gspringer$$H</linktohtml><link.rule.ids>314,780,784,27924,27925,41488,42557,51319</link.rule.ids></links><search><creatorcontrib>Wang, Yin</creatorcontrib><creatorcontrib>Liu, Shang-Hao</creatorcontrib><title>Investigation on the thermal hazard and decomposition behaviors of tert-butyl (2-ethylhexyl) monoperoxy carbonate via STA, DSC, and FTIR</title><title>Journal of thermal analysis and calorimetry</title><addtitle>J Therm Anal Calorim</addtitle><description>In plastic industry, liquid organic peroxides are prevailingly used to manufacture polymer materials. Unfortunately, a corresponding diversity of thermal hazards about instrument damage, fire, explosion, economic loss, and even casualty is engendered. This study focused on the comprehensive investigation to detect the specific thermal reactions and decomposition characteristics of
tert
-butyl (2-ethylhexyl) monoperoxy carbonate (TBEC) which is commonly used as polymerization initiator. First, simultaneous thermogravimetric analyzer was used to record the data in dynamic heating experiments and two mass loss stages were observed of TBEC. To further estimate the thermal stability of TBEC, differential scanning calorimetry was adopted to collect the thermokinetic parameters. Moreover, Flynn–Wall–Ozawa and ASTM E698-16 kinetic methods were applied for calculating the apparent activation energy of TBEC with different conversion rates. Then, thermogravimetric analyzer and FTIR spectrometer were utilized to detect the gaseous decomposition products of TBEC. The results show that TBEC is a Class 2 hazardous substance with high explosion hazard. The gaseous decomposition product of TBEC is
tert
-butyl alcohol, carbon dioxide, and 2-ethylhexanol. Furthermore, numerical simulation was employed to obtain the time to maximum rate under the adiabatic conditions of TBEC which can provide a predictive model for the industry. On the other hand, the explosion possibility of TBEC was assessed via oxygen balance. The findings of this study can provide the thermal hazard information of TBEC under upset scenarios and used to develop an instruction system to peter the related incidents.</description><subject>Adiabatic conditions</subject><subject>Analytical Chemistry</subject><subject>Butanol</subject><subject>Calorimetry</subject><subject>Carbon dioxide</subject><subject>Carbonates</subject><subject>Chemistry</subject><subject>Chemistry and Materials Science</subject><subject>Decomposition</subject><subject>Decomposition reactions</subject><subject>Economic impact</subject><subject>Explosions</subject><subject>Fire damage</subject><subject>Fire hazards</subject><subject>FTIR spectrometers</subject><subject>Hazardous materials</subject><subject>Inorganic Chemistry</subject><subject>Investigations</subject><subject>Mathematical models</subject><subject>Measurement Science and Instrumentation</subject><subject>Organic peroxides</subject><subject>Peroxides</subject><subject>Physical Chemistry</subject><subject>Polymer Sciences</subject><subject>Polymerization</subject><subject>Prediction models</subject><subject>Simulation methods</subject><subject>Thermal stability</subject><subject>Thermogravimetric analysis</subject><issn>1388-6150</issn><issn>1588-2926</issn><fulltext>true</fulltext><rsrctype>article</rsrctype><creationdate>2023</creationdate><recordtype>article</recordtype><recordid>eNp9kc-KFDEQxhtRcF19AU8BLwrbayqZ_OnjMLo6sLDgjueQTqens3QnY5IZtn0CH9vstOBtSYUqiu9XSfFV1XvA14Cx-JwAN4LWmNAaCCZQixfVBTApa9IQ_rLUtNQcGH5dvUnpAWPcNBguqj9bf7Ipu73OLnhUIg_26cZJj2jQv3XskPYd6qwJ0yEkd9a1dtAnF2JCoUfZxly3xzyP6COpbR7mcbCP8_gJTcGHg43hcUZGxzZ4nS06OY3ud-sr9OV-c3WefbPb_nhbver1mOy7f_my-nnzdbf5Xt_efdtu1re1oUzm8zoEuGFghAbJoRUN5z0HYnDfrHSr23ZlCMXarBgwxmXPO7lqBaYaWNPRy-rDMvcQw69jWV09hGP05UlFJAhOmMRQVNeLaq9Hq5zvQ47alNPZyZngbe9Kfy0YJpJyjgtAFsDEkFK0vTpEN-k4K8DqySK1WKSKRepskRIFoguUitjvbfz_l2eov4Tjk14</recordid><startdate>20230601</startdate><enddate>20230601</enddate><creator>Wang, Yin</creator><creator>Liu, Shang-Hao</creator><general>Springer International Publishing</general><general>Springer</general><general>Springer Nature B.V</general><scope>AAYXX</scope><scope>CITATION</scope></search><sort><creationdate>20230601</creationdate><title>Investigation on the thermal hazard and decomposition behaviors of tert-butyl (2-ethylhexyl) monoperoxy carbonate via STA, DSC, and FTIR</title><author>Wang, Yin ; Liu, Shang-Hao</author></sort><facets><frbrtype>5</frbrtype><frbrgroupid>cdi_FETCH-LOGICAL-c358t-2926216c51c7a1861b7966f612c0f94ababb4c230ac4515568f6d84b703a159d3</frbrgroupid><rsrctype>articles</rsrctype><prefilter>articles</prefilter><language>eng</language><creationdate>2023</creationdate><topic>Adiabatic conditions</topic><topic>Analytical Chemistry</topic><topic>Butanol</topic><topic>Calorimetry</topic><topic>Carbon dioxide</topic><topic>Carbonates</topic><topic>Chemistry</topic><topic>Chemistry and Materials Science</topic><topic>Decomposition</topic><topic>Decomposition reactions</topic><topic>Economic impact</topic><topic>Explosions</topic><topic>Fire damage</topic><topic>Fire hazards</topic><topic>FTIR spectrometers</topic><topic>Hazardous materials</topic><topic>Inorganic Chemistry</topic><topic>Investigations</topic><topic>Mathematical models</topic><topic>Measurement Science and Instrumentation</topic><topic>Organic peroxides</topic><topic>Peroxides</topic><topic>Physical Chemistry</topic><topic>Polymer Sciences</topic><topic>Polymerization</topic><topic>Prediction models</topic><topic>Simulation methods</topic><topic>Thermal stability</topic><topic>Thermogravimetric analysis</topic><toplevel>peer_reviewed</toplevel><toplevel>online_resources</toplevel><creatorcontrib>Wang, Yin</creatorcontrib><creatorcontrib>Liu, Shang-Hao</creatorcontrib><collection>CrossRef</collection><jtitle>Journal of thermal analysis and calorimetry</jtitle></facets><delivery><delcategory>Remote Search Resource</delcategory><fulltext>fulltext</fulltext></delivery><addata><au>Wang, Yin</au><au>Liu, Shang-Hao</au><format>journal</format><genre>article</genre><ristype>JOUR</ristype><atitle>Investigation on the thermal hazard and decomposition behaviors of tert-butyl (2-ethylhexyl) monoperoxy carbonate via STA, DSC, and FTIR</atitle><jtitle>Journal of thermal analysis and calorimetry</jtitle><stitle>J Therm Anal Calorim</stitle><date>2023-06-01</date><risdate>2023</risdate><volume>148</volume><issue>11</issue><spage>4969</spage><epage>4976</epage><pages>4969-4976</pages><issn>1388-6150</issn><eissn>1588-2926</eissn><abstract>In plastic industry, liquid organic peroxides are prevailingly used to manufacture polymer materials. Unfortunately, a corresponding diversity of thermal hazards about instrument damage, fire, explosion, economic loss, and even casualty is engendered. This study focused on the comprehensive investigation to detect the specific thermal reactions and decomposition characteristics of
tert
-butyl (2-ethylhexyl) monoperoxy carbonate (TBEC) which is commonly used as polymerization initiator. First, simultaneous thermogravimetric analyzer was used to record the data in dynamic heating experiments and two mass loss stages were observed of TBEC. To further estimate the thermal stability of TBEC, differential scanning calorimetry was adopted to collect the thermokinetic parameters. Moreover, Flynn–Wall–Ozawa and ASTM E698-16 kinetic methods were applied for calculating the apparent activation energy of TBEC with different conversion rates. Then, thermogravimetric analyzer and FTIR spectrometer were utilized to detect the gaseous decomposition products of TBEC. The results show that TBEC is a Class 2 hazardous substance with high explosion hazard. The gaseous decomposition product of TBEC is
tert
-butyl alcohol, carbon dioxide, and 2-ethylhexanol. Furthermore, numerical simulation was employed to obtain the time to maximum rate under the adiabatic conditions of TBEC which can provide a predictive model for the industry. On the other hand, the explosion possibility of TBEC was assessed via oxygen balance. The findings of this study can provide the thermal hazard information of TBEC under upset scenarios and used to develop an instruction system to peter the related incidents.</abstract><cop>Cham</cop><pub>Springer International Publishing</pub><doi>10.1007/s10973-023-12021-7</doi><tpages>8</tpages></addata></record> |
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subjects | Adiabatic conditions Analytical Chemistry Butanol Calorimetry Carbon dioxide Carbonates Chemistry Chemistry and Materials Science Decomposition Decomposition reactions Economic impact Explosions Fire damage Fire hazards FTIR spectrometers Hazardous materials Inorganic Chemistry Investigations Mathematical models Measurement Science and Instrumentation Organic peroxides Peroxides Physical Chemistry Polymer Sciences Polymerization Prediction models Simulation methods Thermal stability Thermogravimetric analysis |
title | Investigation on the thermal hazard and decomposition behaviors of tert-butyl (2-ethylhexyl) monoperoxy carbonate via STA, DSC, and FTIR |
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