Equilibrium speciation in moderately concentrated formaldehyde−methanol−water solutions investigated using 13C and 1H nuclear magnetic resonance spectroscopy
Gaca, Katarzyna and Parkinson, John and Lue, Leo and Sefcik, Jan (2014) Equilibrium speciation in moderately concentrated formaldehyde−methanol−water solutions investigated using 13C and 1H nuclear magnetic resonance spectroscopy. Industrial and Engineering Chemistry Research, 53 (22). pp. 9262-9271. ISSN 0888-5885
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We used 13C and 1H NMR spectroscopy to examine the equilibrium speciation in formaldehyde−methanol−water solutions at moderate formaldehyde concentrations such as those used in the synthesis of formaldehyde-based organic gels. Concentrations of small methylene glycol oligomers and their methoxylated forms found in these solutions were quantitatively determined over a range of formaldehyde concentrations and methanol−water ratios, and at temperatures between 10 and 55 °C. Using the measured concentrations, equilibrium constants for methylene glycol dimer and trimer formation as well as methoxylation of these oligomers were calculated. Based on this, we developed a quantitative equilibrium model for calculation of formaldehyde-related species concentrations over a range compositions relevant for formaldehyde based sol−gel processes allowing for more rational design of formaldehyde polymerization systems.
| Author(s): | Gaca, Katarzyna, Parkinson, John, Lue, Leo and Sefcik, Jan | Item type: | Article |
|---|---|
| ID code: | 48875 |
| Keywords: | NMR spectroscopy, formaldehyde, equilibrium models, Chemistry, Chemical Engineering(all), Chemistry(all), Industrial and Manufacturing Engineering |
| Subjects: | Science > Chemistry |
| Department: | Faculty of Engineering > Chemical and Process Engineering Faculty of Science > Pure and Applied Chemistry Technology and Innovation Centre > Bionanotechnology Technology and Innovation Centre > Continuous Manufacturing and Crystallisation (CMAC) |
| Depositing user: | Pure Administrator |
| Date deposited: | 30 Jun 2014 08:59 |
| Last modified: | 15 Feb 2019 03:38 |
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| URI: | https://strathprints.strath.ac.uk/id/eprint/48875 |
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