Thermal Runaway Risk of Semibatch Processes: Esterification Reaction with Autocatalytic Behavior

Lei Ni; Juncheng Jiang; M. Sam Mannan; Ahmed Mebarki; Mingguang Zhang; Xuhai Pan; Yong Pan

doi:10.1021/acs.iecr.6b03100

Thermal Runaway Risk of Semibatch Processes: Esterification Reaction with Autocatalytic Behavior

Lei Ni, Juncheng Jiang, M. Sam Mannan, Ahmed Mebarki, Mingguang Zhang, Xuhai Pan, Yong Pan

College of Safety Science and Engineering

Research output: Contribution to journal › Article › peer-review

25 Scopus citations

Abstract

The present paper deals with thermal runaway risk of esterification reaction in semibatch reactor. It identifies thermal runaway conditions for the esterification of 2-butanol (2B) and propionic anhydride (PA) with sulfuric acid (SA). The autocatalytic kinetic model of esterification of 2B and PA with SA was obtained by the experiments. A new boundary diagram was proposed for the autocatalytic parallel reactions. Then, the combined boundary diagram considering the target temperature and maximum allowable temperature was used to define the critical conditions for the thermal runaway. The conditional probability of thermal runaway for esterification of 2B and PA with SA was calculated by Monte Carlo simulations.

Original language	English
Pages (from-to)	1534-1542
Number of pages	9
Journal	Industrial and Engineering Chemistry Research
Volume	56
Issue number	6
DOIs	https://doi.org/10.1021/acs.iecr.6b03100
State	Published - 15 Feb 2017

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title = "Thermal Runaway Risk of Semibatch Processes: Esterification Reaction with Autocatalytic Behavior",

abstract = "The present paper deals with thermal runaway risk of esterification reaction in semibatch reactor. It identifies thermal runaway conditions for the esterification of 2-butanol (2B) and propionic anhydride (PA) with sulfuric acid (SA). The autocatalytic kinetic model of esterification of 2B and PA with SA was obtained by the experiments. A new boundary diagram was proposed for the autocatalytic parallel reactions. Then, the combined boundary diagram considering the target temperature and maximum allowable temperature was used to define the critical conditions for the thermal runaway. The conditional probability of thermal runaway for esterification of 2B and PA with SA was calculated by Monte Carlo simulations.",

author = "Lei Ni and Juncheng Jiang and Mannan, {M. Sam} and Ahmed Mebarki and Mingguang Zhang and Xuhai Pan and Yong Pan",

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T1 - Thermal Runaway Risk of Semibatch Processes

T2 - Esterification Reaction with Autocatalytic Behavior

AU - Ni, Lei

AU - Jiang, Juncheng

AU - Mannan, M. Sam

AU - Mebarki, Ahmed

AU - Zhang, Mingguang

AU - Pan, Xuhai

AU - Pan, Yong

PY - 2017/2/15

Y1 - 2017/2/15

N2 - The present paper deals with thermal runaway risk of esterification reaction in semibatch reactor. It identifies thermal runaway conditions for the esterification of 2-butanol (2B) and propionic anhydride (PA) with sulfuric acid (SA). The autocatalytic kinetic model of esterification of 2B and PA with SA was obtained by the experiments. A new boundary diagram was proposed for the autocatalytic parallel reactions. Then, the combined boundary diagram considering the target temperature and maximum allowable temperature was used to define the critical conditions for the thermal runaway. The conditional probability of thermal runaway for esterification of 2B and PA with SA was calculated by Monte Carlo simulations.

AB - The present paper deals with thermal runaway risk of esterification reaction in semibatch reactor. It identifies thermal runaway conditions for the esterification of 2-butanol (2B) and propionic anhydride (PA) with sulfuric acid (SA). The autocatalytic kinetic model of esterification of 2B and PA with SA was obtained by the experiments. A new boundary diagram was proposed for the autocatalytic parallel reactions. Then, the combined boundary diagram considering the target temperature and maximum allowable temperature was used to define the critical conditions for the thermal runaway. The conditional probability of thermal runaway for esterification of 2B and PA with SA was calculated by Monte Carlo simulations.

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JO - Industrial and Engineering Chemistry Research

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Thermal Runaway Risk of Semibatch Processes: Esterification Reaction with Autocatalytic Behavior

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