Eine Plattform für die Wissenschaft: Bauingenieurwesen, Architektur und Urbanistik
Eine Plattform für die Wissenschaft: Bauingenieurwesen, Architektur und Urbanistik
Importance of Intersystem Crossing on Flammability Properties of Carbon Disulphide (CS2)
Carbon disulphide (CS2) represents an important chemical commodity, unfortunately, found responsible for several factory, laboratory and transportation fires. This contribution examines the high flammability of CS2 by exploring the fire chemistry of the intersystem crossing (ISC) process that occurs within the two key elementary reactions. By expanding the potential enthalpy surfaces of CS + O2 reaction into three-dimensional space, we reveal the unusual changeover from the triplet surface onto the singlet surface through the ISC point. We calculate the minimum energy crossing point to locate the ISC structure, resulting in a lowered activation energy for the CS2 + O2 and CS + O2 reactions. This enables us to explain the low ignition temperature and high flammability of CS2, a common compound in the chemical industry.
Importance of Intersystem Crossing on Flammability Properties of Carbon Disulphide (CS2)
Carbon disulphide (CS2) represents an important chemical commodity, unfortunately, found responsible for several factory, laboratory and transportation fires. This contribution examines the high flammability of CS2 by exploring the fire chemistry of the intersystem crossing (ISC) process that occurs within the two key elementary reactions. By expanding the potential enthalpy surfaces of CS + O2 reaction into three-dimensional space, we reveal the unusual changeover from the triplet surface onto the singlet surface through the ISC point. We calculate the minimum energy crossing point to locate the ISC structure, resulting in a lowered activation energy for the CS2 + O2 and CS + O2 reactions. This enables us to explain the low ignition temperature and high flammability of CS2, a common compound in the chemical industry.
Importance of Intersystem Crossing on Flammability Properties of Carbon Disulphide (CS2)
Wu, Guan-Yuan (Herausgeber:in) / Tsai, Kuang-Chung (Herausgeber:in) / Chow, W. K. (Herausgeber:in) / Zeng, Zhe (Autor:in) / Dlugogorski, Bogdan Z. (Autor:in) / Oluwoye, Ibukun (Autor:in) / Altarawneh, Mohammednoor (Autor:in)
Asia-Oceania Symposium on Fire Science and Technology ; 2018 ; Taipei, Taiwan
The Proceedings of 11th Asia-Oceania Symposium on Fire Science and Technology ; Kapitel: 7 ; 77-88
01.01.2020
12 pages
Aufsatz/Kapitel (Buch)
Elektronische Ressource
Englisch
Flammability , Potential enthalpy surface (PES) , Intersystem crossing (ISC) , Minimum energy crossing point (MECP) Engineering , Fire Science, Hazard Control, Building Safety , Quality Control, Reliability, Safety and Risk , Engineering Thermodynamics, Heat and Mass Transfer , Building Materials , Renewable and Green Energy
Limiting Intersystem Crossing in Conjugated Polymers by Molecular Design
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