Development of kinetic parameters for polyurethane thermal degradation modeling featuring a bioinspired catecholic flame retardant

B. C. Roberts; A. R. Jones; O. A. Ezekoye; C. J. Ellison; M. E. Webber

doi:10.1016/j.combustflame.2016.12.014

Development of kinetic parameters for polyurethane thermal degradation modeling featuring a bioinspired catecholic flame retardant

B. C. Roberts, A. R. Jones, O. A. Ezekoye, C. J. Ellison, M. E. Webber

Chemical Engineering and Materials Science

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

21 Scopus citations

Abstract

A recently developed flame retardant (FR) nanocoating of polydopamine (PDA) was applied to flexible polyurethane foam (PU) and thermogravimetrically analyzed (TGA). Thermal degradation kinetics were described by a simplified multi-component, Arrhenius expression coupled with a first-order reaction model. Kinetic parameters were then extracted via an optimization solver. By limiting the number of optimized parameters, a mesh adaptive direct search algorithm was employed to extract meaningful kinetic parameters that better simulate the TGA data compared to graphical methods. Through TGA, it was shown that the effect of the PDA nanocoating on PU degradation differs between oxidative (78 vol% nitrogen (N₂) and 21 vol% oxygen) and inert (100% N₂) environments. In nitrogen, the mass loss is delayed and diminished in the first PU reaction, which is the opposite effect of a traditional halophosphate FR. In an oxidative environment, the first reaction of PU is greatly delayed by the PDA coating, but once the reaction begins, it becomes accelerated.

Original language	English (US)
Pages (from-to)	184-192
Number of pages	9
Journal	Combustion and Flame
Volume	177
DOIs	https://doi.org/10.1016/j.combustflame.2016.12.014
State	Published - 2017

Bibliographical note

Funding Information:
The work presented in this paper was supported in part by the National Science Foundation (NSF) through the Integrative Graduate Education and Research Traineeship (IGERT) program. We also gratefully acknowledge the Robert A. Welch Foundation (Grant no. F-1709), DuPont Young Professor Award, the Norman Hackerman Advanced Research Program (Grant no. ARP-003658-0037-2011), and the National Science Foundation CAREER Award (Grant no. DMR-1053293) for partial financial support.

Publisher Copyright:
© 2016 The Combustion Institute

Keywords

Flame retardant
Flexible polyurethane foam
Kinetic parameters
Polydopamine
Thermal degradation
Thermogravimetric analysis

Access

10.1016/j.combustflame.2016.12.014

OpenUrl availability

Full text

Cite this

@article{2f6a8ac418d144d38569c52a8a19c951,

title = "Development of kinetic parameters for polyurethane thermal degradation modeling featuring a bioinspired catecholic flame retardant",

abstract = "A recently developed flame retardant (FR) nanocoating of polydopamine (PDA) was applied to flexible polyurethane foam (PU) and thermogravimetrically analyzed (TGA). Thermal degradation kinetics were described by a simplified multi-component, Arrhenius expression coupled with a first-order reaction model. Kinetic parameters were then extracted via an optimization solver. By limiting the number of optimized parameters, a mesh adaptive direct search algorithm was employed to extract meaningful kinetic parameters that better simulate the TGA data compared to graphical methods. Through TGA, it was shown that the effect of the PDA nanocoating on PU degradation differs between oxidative (78 vol% nitrogen (N2) and 21 vol% oxygen) and inert (100% N2) environments. In nitrogen, the mass loss is delayed and diminished in the first PU reaction, which is the opposite effect of a traditional halophosphate FR. In an oxidative environment, the first reaction of PU is greatly delayed by the PDA coating, but once the reaction begins, it becomes accelerated.",

keywords = "Flame retardant, Flexible polyurethane foam, Kinetic parameters, Polydopamine, Thermal degradation, Thermogravimetric analysis",

author = "Roberts, {B. C.} and Jones, {A. R.} and Ezekoye, {O. A.} and Ellison, {C. J.} and Webber, {M. E.}",

note = "Funding Information: The work presented in this paper was supported in part by the National Science Foundation (NSF) through the Integrative Graduate Education and Research Traineeship (IGERT) program. We also gratefully acknowledge the Robert A. Welch Foundation (Grant no. F-1709), DuPont Young Professor Award, the Norman Hackerman Advanced Research Program (Grant no. ARP-003658-0037-2011), and the National Science Foundation CAREER Award (Grant no. DMR-1053293) for partial financial support. Publisher Copyright: {\textcopyright} 2016 The Combustion Institute",

year = "2017",

doi = "10.1016/j.combustflame.2016.12.014",

language = "English (US)",

volume = "177",

pages = "184--192",

journal = "Combustion and Flame",

issn = "0010-2180",

publisher = "Elsevier Inc.",

}

TY - JOUR

T1 - Development of kinetic parameters for polyurethane thermal degradation modeling featuring a bioinspired catecholic flame retardant

AU - Roberts, B. C.

AU - Jones, A. R.

AU - Ezekoye, O. A.

AU - Ellison, C. J.

AU - Webber, M. E.

N1 - Funding Information: The work presented in this paper was supported in part by the National Science Foundation (NSF) through the Integrative Graduate Education and Research Traineeship (IGERT) program. We also gratefully acknowledge the Robert A. Welch Foundation (Grant no. F-1709), DuPont Young Professor Award, the Norman Hackerman Advanced Research Program (Grant no. ARP-003658-0037-2011), and the National Science Foundation CAREER Award (Grant no. DMR-1053293) for partial financial support. Publisher Copyright: © 2016 The Combustion Institute

PY - 2017

Y1 - 2017

N2 - A recently developed flame retardant (FR) nanocoating of polydopamine (PDA) was applied to flexible polyurethane foam (PU) and thermogravimetrically analyzed (TGA). Thermal degradation kinetics were described by a simplified multi-component, Arrhenius expression coupled with a first-order reaction model. Kinetic parameters were then extracted via an optimization solver. By limiting the number of optimized parameters, a mesh adaptive direct search algorithm was employed to extract meaningful kinetic parameters that better simulate the TGA data compared to graphical methods. Through TGA, it was shown that the effect of the PDA nanocoating on PU degradation differs between oxidative (78 vol% nitrogen (N2) and 21 vol% oxygen) and inert (100% N2) environments. In nitrogen, the mass loss is delayed and diminished in the first PU reaction, which is the opposite effect of a traditional halophosphate FR. In an oxidative environment, the first reaction of PU is greatly delayed by the PDA coating, but once the reaction begins, it becomes accelerated.

AB - A recently developed flame retardant (FR) nanocoating of polydopamine (PDA) was applied to flexible polyurethane foam (PU) and thermogravimetrically analyzed (TGA). Thermal degradation kinetics were described by a simplified multi-component, Arrhenius expression coupled with a first-order reaction model. Kinetic parameters were then extracted via an optimization solver. By limiting the number of optimized parameters, a mesh adaptive direct search algorithm was employed to extract meaningful kinetic parameters that better simulate the TGA data compared to graphical methods. Through TGA, it was shown that the effect of the PDA nanocoating on PU degradation differs between oxidative (78 vol% nitrogen (N2) and 21 vol% oxygen) and inert (100% N2) environments. In nitrogen, the mass loss is delayed and diminished in the first PU reaction, which is the opposite effect of a traditional halophosphate FR. In an oxidative environment, the first reaction of PU is greatly delayed by the PDA coating, but once the reaction begins, it becomes accelerated.

KW - Flame retardant

KW - Flexible polyurethane foam

KW - Kinetic parameters

KW - Polydopamine

KW - Thermal degradation

KW - Thermogravimetric analysis

UR - http://www.scopus.com/inward/record.url?scp=85011706178&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=85011706178&partnerID=8YFLogxK

U2 - 10.1016/j.combustflame.2016.12.014

DO - 10.1016/j.combustflame.2016.12.014

M3 - Article

AN - SCOPUS:85011706178

SN - 0010-2180

VL - 177

SP - 184

EP - 192

JO - Combustion and Flame

JF - Combustion and Flame

ER -

Development of kinetic parameters for polyurethane thermal degradation modeling featuring a bioinspired catecholic flame retardant

Abstract

Bibliographical note

Keywords

Access

OpenUrl availability

Other files and links

Fingerprint

Cite this