rdf-syntax-grammar
mods:
  schema location: http://www.loc.gov/mods/v3 http://www.loc.gov/standards/mods/v3/mods-3-2.xsd
  title info:
    title: Multiscale Model-Based Design for Inhibition of Thermal Runaway in Free-Radical Polymerization
  name:
    name part: Liu, Guanyang
    role:
      role term: creator
    role:
      role term: author.
  name:
    name part: Wilhite, Benjamin
    role:
      role term: thesis advisor.
  name:
    name part: Texas A&M University
    role:
      role term: degree granting institution.
  type of resource: text
  genre: bibliography
  origin info:
    place:
      place term: txu
    date issued: 2023
    issuance: monographic
  language:
    language term: eng
  physical description:
    form: remote
    extent: 1 online resource.
  abstract: This dissertation work aims to develop a model-based design framework for the reaction inhibition technique as a promising emergency response measure against thermal runaway in process industry. This is achieved through employing and advancing multiscale modeling techniques that not only account for the complex kinetic mechanisms and flow physics in the stirred tank reactor, but also facilitate the rapid design screening of various failure scenarios to identify sufficient inhibition recipes. At system level, the dynamic competition between inhibition and polymerization chemistry under non-isothermal condition is investigated. A well-mixed batch reactor model is developed for free-radical solution polymerization of MMA as an illustrative case to investigate three key design parameters of the ⁰́₋short-stopping⁰́₊ mitigation procedure, specifically the injection time, inhibitor quantity, and inhibitor kinetic strength. A general criterion for sufficient ⁰́₋short-stopping⁰́₊ recipe is subsequently identified as to ensure a negative time-derivative of local Semenov number upon inhibitor injection (i.e., dÏ⁸/dt∎t = tinj < 0), as opposed to the far more conservative criteria in the current practice. Built upon the system-level dynamic model, a generalized three-dimensional network-of-zones (NoZ) model is developed to capture the non-ideal convective mixing effect and spatial variations during inhibition by dividing the reactor volume into a network of zones with each modeled as a continuous stirred tank reactor (CSTR) and exchange flow rates formulated using an empirical correlation of the impeller design. The NoZ model is able to capture the hot spot evolution during thermal runaway and the local quenching effect of inhibition. To advance the multiscale modeling techniques, a novel generalized zoning framework is developed for the automatic streamlined construction of CFD-based compartment models through an iterative zoning workflow with detailed characterization of the r…
  note: by Guanyang Liu.
  note: "Major Subject: Chemical Engineering"
  note: Includes vita.
  note: Doctor of Philosophy Texas A&M University 2022 https://hdl.handle.net/1969.1/197781
  note: Includes bibliographical references.
  note: Text (Dissertation)
  subject:
    topic: Major Chemical Engineering
  subject:
    topic: multiscale model
  subject:
    topic: reaction engineering
  subject:
    topic: thermal runaway
  subject:
    topic: polymerization
  identifier: https://hdl.handle.net/1969.1/197781
  record info:
    record content source: TXA
    record creation date: 240823
    record change date: 20240829173455.3
    record identifier: in00005468341
    language of cataloging:
      language term: eng