Application of thermal ignition theory of di(2,4-dichlorobenzoyl) peroxide by kinetic-based curve fitting
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Di(2,4-dichlorobenzoyl) peroxide (DCBP), classified as a diacyl peroxide, is commonly used in silicone rubber manufacturing as a crosslinking agent, vulcanizing agent, and polymerization initiator. However, its reactivity or incompatibility may negatively affect safety requirements and concerns during chemical reactions. This study was conducted to investigate the properties of DCBP by using differential scanning calorimetry and a literature review. Specifically, thermal decomposition behavior of DCBP was examined by combining simulations with thermal analysis methods to analyze the foundation of thermokinetics, such as the peak temperature, heat of decomposition, and apparent activation energy of DCBP. Based on parameters obtained from the calculations, this investigation was integrated with thermal explosion theory, which represents a major advancement in the comprehension of behavior between heat release and heat transfer to the surroundings incorporated into a single differential equation, and a decision was made from a criticality criterion simultaneously.
KeywordsDi(2,4-dichlorobenzoyl) peroxide (DCBP) Polymerization initiator DSC Thermal decomposition Thermal analysis
List of symbols
Pre-exponential factor of Arrhenius equation, min−1
Pre-exponential factor of Arrhenius equation at conversion α, min−1
Modified pre-exponential factor by a product of A(α) and f(α), min−1
Reaction conversion, dimensionless
Heating rate, °C min−1
Initial concentration of the reaction, g cm−3
Concentration of the reaction, g cm−3
Specific heat of material, J g−1 K−1
Apparent activation energy, kJ mol−1
Apparent activation energy at conversion α, kJ mol−1
Reaction equation, dimensionless
Heat exchange capability index of the cooling system, kJ m−2 K−1min−1
Reaction rate constant, dimensionless
Reaction order, dimensionless
Mass of material, g
Heat of decomposition, J g−1
Heat of decomposition at t, J g−1
Heat of decomposition from material, J g−1
Heat production rate, kJ min−1
Heat discharge rate, kJ min−1
Heat discharge rate by high cooling medium, kJ min−1
Heat discharge rate by cooling system, kJ min−1
Heat discharge rate by low cooling system, kJ min−1
Maximum heat discharge rate, kJ min−1
Gas constant, 8.31415 J K−1 mol−1
Coefficient of determination, dimensionless
Reaction rate, mol L−1 s−1
Effective heat exchange area, m2
Process temperature, K
Apparent exothermic temperature, K
Surrounding temperature under cooling system, K
Critical ignition temperature, K
Critical extinguished temperature, K
Temperature at the maximum heat release in reaction, K
Cutoff point between curves Qg and Qr at the highest and lowest cooling efficient system, K
Stable point of extinguished temperature, K
Stable point of ignition temperature, K
Stable point at low temperature, K
Stable point at high temperature, K
Reaction time, min
Volume of process instrument, m3
Fractional conversion, dimensionless
The authors are indebted to the Ministry of Science and Technology (MOST) in Taiwan under the contract number 104-2622-E-224-009-CC2 for financial support, as well as the Department of Natural Sciences Key Fund, Bureau of Education, Anhui Province, China, for its financial support under contract number KJ2017A078. Conflict of Interest: The authors declare that they have no conflict of interest.
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