Is it the time to say bye to the ϕ-factor?

Nepu Saha, Rashid Al-Muhannadi, Abdulla Al-Mohannadi, Luc Vechot, Marcelo Castier

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

This paper presents a procedure to fit kinetic parameters of runaway reactions using data measured in Phi-TEC II adiabatic calorimeters. The parameter fitting is based on running multiple dynamic simulations of calorimeter experiments using a model that considers the compositional description of the fluid within the calorimeter cell and uses accurate thermodynamic models to evaluate the fluid properties, including changes to the amounts and compositions of each phase present inside the cell. In addition, the model accounts for the heat capacity of the calorimeter cell, which is considered to be temperature-dependent. This rigorous method represents a considerable departure from the simplifying assumptions embedded in the usual approach of adopting constant ϕ-factors for treating data measured in adiabatic calorimeters. An example of the model's application shows that the parameters fitted using the proposed method are capable of an accurate representation of the dynamics of di-tert-butyl peroxide decomposition.

Original languageEnglish
Pages (from-to)193-203
Number of pages11
JournalProcess Safety and Environmental Protection
Volume113
DOIs
Publication statusPublished - 1 Jan 2018

Fingerprint

Calorimeters
fluid
heat capacity
Fluids
Peroxides
Kinetic parameters
thermodynamics
Specific heat
decomposition
kinetics
Thermodynamics
Decomposition
simulation
Computer simulation
parameter
Chemical analysis
experiment
temperature
Experiments
method

Keywords

  • Dynamic simulation
  • Equation of state
  • Phase equilibrium
  • Pressure relief
  • Reaction kinetics
  • Runaway reaction

ASJC Scopus subject areas

  • Environmental Engineering
  • Environmental Chemistry
  • Chemical Engineering(all)
  • Safety, Risk, Reliability and Quality

Cite this

Is it the time to say bye to the ϕ-factor? / Saha, Nepu; Al-Muhannadi, Rashid; Al-Mohannadi, Abdulla; Vechot, Luc; Castier, Marcelo.

In: Process Safety and Environmental Protection, Vol. 113, 01.01.2018, p. 193-203.

Research output: Contribution to journalArticle

Saha, Nepu ; Al-Muhannadi, Rashid ; Al-Mohannadi, Abdulla ; Vechot, Luc ; Castier, Marcelo. / Is it the time to say bye to the ϕ-factor?. In: Process Safety and Environmental Protection. 2018 ; Vol. 113. pp. 193-203.
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