Mathematical modelling of simultaneous solvent evaporation and chemical curing in thermoset coatings: A parameter study

Research output: Contribution to journalJournal articleResearchpeer-review

Abstract

A mathematical model, describing the curing behaviour of a two-component, solvent-based, thermoset coating, is used to conduct a parameter study. The model includes curing reactions, solvent intra-film diffusion and evaporation, film gelation, vitrification, and crosslinking. A case study with a polyisocyanate and a polyol in an organic solvent, catalysed by an organotin compound, is selected for analysis. The transient effects on reactant conversion values and solid content of the film of the following parameters are studied: initial solvent concentration and film thickness, wind velocity, and bulk air concentration of solvent. Simulations of solvent evaporation are compared to experimental data from a previous investigation. As part of the parameter study, mechanisms of this complex coating system are discussed.
Original languageEnglish
JournalProgress in Organic Coatings
Volume70
Issue number4
Pages (from-to)192-198
ISSN0300-9440
DOIs
Publication statusPublished - 2011

Keywords

  • Glass transition temperature
  • Network formation
  • Polyurethane
  • Solvent trapping
  • Crosslink density
  • High-solids

Cite this

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title = "Mathematical modelling of simultaneous solvent evaporation and chemical curing in thermoset coatings: A parameter study",
abstract = "A mathematical model, describing the curing behaviour of a two-component, solvent-based, thermoset coating, is used to conduct a parameter study. The model includes curing reactions, solvent intra-film diffusion and evaporation, film gelation, vitrification, and crosslinking. A case study with a polyisocyanate and a polyol in an organic solvent, catalysed by an organotin compound, is selected for analysis. The transient effects on reactant conversion values and solid content of the film of the following parameters are studied: initial solvent concentration and film thickness, wind velocity, and bulk air concentration of solvent. Simulations of solvent evaporation are compared to experimental data from a previous investigation. As part of the parameter study, mechanisms of this complex coating system are discussed.",
keywords = "Glass transition temperature, Network formation, Polyurethane, Solvent trapping, Crosslink density, High-solids",
author = "S{\o}ren Kiil",
year = "2011",
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language = "English",
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pages = "192--198",
journal = "Progress in Organic Coatings",
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publisher = "Elsevier",
number = "4",

}

Mathematical modelling of simultaneous solvent evaporation and chemical curing in thermoset coatings: A parameter study. / Kiil, Søren.

In: Progress in Organic Coatings, Vol. 70, No. 4, 2011, p. 192-198.

Research output: Contribution to journalJournal articleResearchpeer-review

TY - JOUR

T1 - Mathematical modelling of simultaneous solvent evaporation and chemical curing in thermoset coatings: A parameter study

AU - Kiil, Søren

PY - 2011

Y1 - 2011

N2 - A mathematical model, describing the curing behaviour of a two-component, solvent-based, thermoset coating, is used to conduct a parameter study. The model includes curing reactions, solvent intra-film diffusion and evaporation, film gelation, vitrification, and crosslinking. A case study with a polyisocyanate and a polyol in an organic solvent, catalysed by an organotin compound, is selected for analysis. The transient effects on reactant conversion values and solid content of the film of the following parameters are studied: initial solvent concentration and film thickness, wind velocity, and bulk air concentration of solvent. Simulations of solvent evaporation are compared to experimental data from a previous investigation. As part of the parameter study, mechanisms of this complex coating system are discussed.

AB - A mathematical model, describing the curing behaviour of a two-component, solvent-based, thermoset coating, is used to conduct a parameter study. The model includes curing reactions, solvent intra-film diffusion and evaporation, film gelation, vitrification, and crosslinking. A case study with a polyisocyanate and a polyol in an organic solvent, catalysed by an organotin compound, is selected for analysis. The transient effects on reactant conversion values and solid content of the film of the following parameters are studied: initial solvent concentration and film thickness, wind velocity, and bulk air concentration of solvent. Simulations of solvent evaporation are compared to experimental data from a previous investigation. As part of the parameter study, mechanisms of this complex coating system are discussed.

KW - Glass transition temperature

KW - Network formation

KW - Polyurethane

KW - Solvent trapping

KW - Crosslink density

KW - High-solids

U2 - 10.1016/j.porgcoat.2010.08.013

DO - 10.1016/j.porgcoat.2010.08.013

M3 - Journal article

VL - 70

SP - 192

EP - 198

JO - Progress in Organic Coatings

JF - Progress in Organic Coatings

SN - 0300-9440

IS - 4

ER -