Computer simulation and infrared investigation on a novolac formaldehyde phenolic resin

Schürmann, Britta L.; Vogel, L.

doi:10.1007/bf00360745

Cited by 17 publications

(17 citation statements)

References 12 publications

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“…As mentioned above, the phenolic resin is extremely rigid due to the extensive hydrogen bond network . Although much of the details of the reaction mechanism and the reaction products remain to be characterized, there is no question that segmental mobility is a necessary condition for any reaction to take place.…”

Section: Resultsmentioning

confidence: 99%

An analysis of the role of nonreactive plasticizers in the crosslinking reactions of a rigid resin

Patel

Deshmukh

Zhao

et al. 2016

J Polym Sci B Polym Phys

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A uniform dispersion of reactants is necessary to achieve a complete reaction involving multiple components. Using a combination of infrared spectroscopy, thermal analysis, and low field NMR, we have elucidated the role of a new class of nonreactive plasticizers on the crosslinking reaction between hexamethylenetetramine (HMTA) and phenol formaldehyde resin. These two seemingly dissimilar reactants are responsible for the exceptionally high mechanical strength in a number of organic–inorganic composites. The efficiency of the curing reaction is characterized by the changing functionality of HMTA. Infrared active vibrations are used to characterize the changing molecular structures as a function of temperature. The T1 spin‐lattice relaxation time is used for the characterization of segmental dynamics of the chains in the formation of the crosslinked product. The segmental mobility depends on the amount of crosslinking and the stiffness of the chain. This study shows that this new class of nonreactive plasticizer can induce highly crosslinked structures without any of the environmental impact of the current technology. An efficient crosslinking reaction in phenolic resin can be achieved by using methyl benzoate as a nonreacting plasticizer. Low field NMR, in conjunction with infrared spectroscopy (mid and near) and DSC, clarified the crosslinking reaction mechanism and the ensuing structure. © 2016 Wiley Periodicals, Inc. J. Polym. Sci., Part B: Polym. Phys. 2017, 55, 206–213

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Section: Resultsmentioning

confidence: 99%

An analysis of the role of nonreactive plasticizers in the crosslinking reactions of a rigid resin

Patel

Deshmukh

Zhao

et al. 2016

J Polym Sci B Polym Phys

View full text Add to dashboard Cite

show abstract

“…Thermoset resins are well-suited for atomistic simulations which can establish the relationship between the chemical structure of the polymers and their material properties, such as mechanical [8][9][10][11] and thermal responses [12]. Recently, molecular dynamics (MD) simulations have been used to model other thermoset systems such as epoxies [13][14][15][16][17][18][19][20][21][22][23] as well as phenolic resins [24][25][26].…”

Section: Introductionmentioning

confidence: 99%

Molecular dynamics simulations of phenolic resin: Construction of atomistic models

Monk

Haskins

Bauschlicher

et al. 2015

Polymer

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“…The rigidity associated with the phenolic resin is attributed to the substantial amount of hydrogen bonding present. The increase in the amount of free hydroxyls at elevated temperatures increased reaction kinetics . Therefore, one possible effect of the plasticizer is to disrupt the hydrogen bonds associated with the phenolic resin and introduce higher segmental mobility, thus allowing the hydroxyl units to interact with HMTA.…”

Section: Introductionmentioning

confidence: 99%

“…The increase in the amount of free hydroxyls at elevated temperatures increased reaction kinetics. 14,25,26 Therefore, one possible effect of the plasticizer is to disrupt the hydrogen bonds associated with the phenolic resin and introduce higher segmental mobility, thus allowing the hydroxyl units to interact with HMTA. Although the hydroxyl groups in the phenolic resin do not directly react with HMTA, the hydrogen bonds formed between the hydroxyl group and HMTA clearly are important.…”

mentioning

confidence: 99%

Path to achieving molecular dispersion in a dense reactive mixture

Patel

Xiang

Hsu

et al. 2015

J. Polym. Sci. Part B: Polym. Phys.

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A uniform dispersion of reactants is necessary to achieve a complete reaction involving multicomponents. In this study, we have examined the role of plasticizer in the reaction of two seemingly unlikely reactants: a highly crystalline hexamethylenetetramine (HMTA) and a strongly hydrogen bonded phenol formaldehyde resin. By combining information from NMR, infrared spectroscopy and differential scanning calorimetry, we were able to determine the role of specific intermolecular interactions necessary for the plasticizer to dissolve the highly crystalline HMTA and to plasticize the phenol formaldehyde resin in this crosslinking reaction. The presence of the plasticizer increased the segmental mobility, disrupted the hydrogen bonded matrix, and freed the hydroxyl units, which further increased the solubility of the HMTA. Both the endothermic and exothermic transitions are accounted for in the calorimetric data obtained. For the first time, it is possible to obtain the effective molar ratio of each component needed to complete the crosslinking reaction efficiently.

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Computer simulation and infrared investigation on a novolac formaldehyde phenolic resin

Cited by 17 publications

References 12 publications

An analysis of the role of nonreactive plasticizers in the crosslinking reactions of a rigid resin

An analysis of the role of nonreactive plasticizers in the crosslinking reactions of a rigid resin

Molecular dynamics simulations of phenolic resin: Construction of atomistic models

Path to achieving molecular dispersion in a dense reactive mixture

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