Kinetic study of depolymerization of polyurethanes: A experimental and computational insight for chemical recycling

Kinetic study of depolymerization of polyurethanes: A experimental and computational insight for chemical recycling

This work reports experimental and computational studies of polyurethanes depolymerization from industrial waste through a reaction with potassium hydroxide. A computational study was performed to identify the chemical reaction mechanism, which is more difficult to determine experimentally. Kinetic...

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Bibliographic Details
Published in:International journal of chemical kinetics Vol. 52; no. 9; pp. 611 - 619
Main Authors: Uliana, Fabricio, Ambrozio, Stener R., Filho, Eloi A. S., Gonçalves, Arlan S., Melo, Carlos Vital P., Luz, Priscilla P., Silva, Carlos Vinícius G.
Format: Journal Article
Language:English
Published: Hoboken Wiley Subscription Services, Inc 01-09-2020
Subjects:
chemical kinetics
Chemical reactions
chemical recycling
Depolymerization
Energy value
Industrial wastes
Mathematical analysis
molecular modeling
NMR
Nuclear magnetic resonance
polyurethane
Polyurethane resins
Potassium hydroxides
Process parameters
Reaction mechanisms
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Summary:This work reports experimental and computational studies of polyurethanes depolymerization from industrial waste through a reaction with potassium hydroxide. A computational study was performed to identify the chemical reaction mechanism, which is more difficult to determine experimentally. Kinetic and thermodynamic parameters of activation process were also obtained by theoretical calculations. An experimental procedure led to products identified by 13C solid‐state NMR analysis, which agree to the computational study. A small variation of less than 5% in the activation energy values found between the data obtained through theoretical calculations and experimental methods suggests that the described computational procedure is enough to describe the process in a satisfactory manner.
ISSN:0538-8066
1097-4601
DOI:10.1002/kin.21374