Hostname: page-component-8448b6f56d-tj2md Total loading time: 0 Render date: 2024-04-23T22:52:41.366Z Has data issue: false hasContentIssue false
  • English
  • Français

Molecular simulation of adhesion property recovery in the cellulose/phenolic adhesive interface: the role of water molecules

Published online by Cambridge University Press:  08 October 2015

Lik-ho Tam  and
Denvid Lau
Lik-ho Tam
Affiliation:
Department of Architecture and Civil Engineering, City University of Hong Kong, Hong Kong, China
Denvid Lau
Affiliation:
Department of Architecture and Civil Engineering, City University of Hong Kong, Hong Kong, China
Get access

Abstract

Cellulose is one of the most abundant substances in the world, and the major constituent in the wood structure. Phenolic adhesive is largely used in the wood manufacture for gluing the wood panels together. The cellulose/phenolic adhesive interface is a representative of the interface between the wood panels and adhesives in the wood products. As the wood panels and adhesive are sensitive to environmental humidity, the interfacial adhesion of such interface when subjected to a humid environment can be a major factor in the durability of final products. Here, the role of water molecules on the adhesion property of cellulose/phenolic adhesive interface is investigated by molecular dynamics simulations. The simulation results reveal that the adhesion energy between cellulose and phenolic adhesive can be reduced by 86.5% with saturated moisture ingress. Meanwhile, it is demonstrated that the adhesion energy can be recovered after the interface experiences further dry conditioning. The hydrogen bonds between the cellulose and phenolic adhesive are found to account for the strong interfacial adhesion, which can be interrupted in the presence of water molecules and recovered after further dry conditioning. The adhesion property between the wood panels and adhesives is mainly determined by water molecules absorbed at the bilayer interface, which should be considered in a wet condition.

Keywords

adhesionwaterorganic
Type
Articles
Information
MRS Online Proceedings Library (OPL) , Volume 1793: Symposium GG – Foundations of Bio/Nano Interfaces―Synthesis, Modeling, Design Principles and Applications , 2015 , pp. 59 - 66
Copyright
Copyright © Materials Research Society 2015 

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

REFERENCES

Gibson, L. J., Journal of the Royal Society Interface 9 (76), 2749–2766 (2012).CrossRefGoogle Scholar
Eichhorn, S. J., ACS Macro Letters 1 (11), 1237–1239 (2012).CrossRefGoogle Scholar
Tam, L.-h. and Lau, D., presented at the MRS Proceedings, 2014 (unpublished).Google Scholar
Büyüköztürk, O., Buehler, M. J., Lau, D. and Tuakta, C., International Journal of Solids and Structures 48 (14), 2131–2140 (2011).CrossRefGoogle Scholar
Yu, Z., Xu, Z. and Lau, D., BioNanoScience, 1–9 (2014).Google Scholar
Lau, D., Broderick, K., Buehler, M. J. and Büyüköztürk, O., Proceedings of the National Academy of Sciences 111 (33), 11990–11995 (2014).CrossRefGoogle Scholar
Tam, L.-h. and Lau, D., Polymer 57, 132–142 (2015).CrossRefGoogle Scholar
Accelrys Software Inc.: Materials Studio; 2009.Google Scholar
Plimpton, S., Journal of Computational Physics 117 (1), 1–19 (1995).CrossRefGoogle Scholar
Dauber‐Osguthorpe, P., Roberts, V. A., Osguthorpe, D. J., Wolff, J., Genest, M. and Hagler, A. T., Proteins: Structure, Function, and Bioinformatics 4 (1), 31–47 (1988).CrossRefGoogle Scholar
Maple, J. R., Dinur, U. and Hagler, A. T., Proceedings of the National Academy of Sciences 85 (15), 5350–5354 (1988).CrossRefGoogle Scholar
Hockney, R. W. and Eastwood, J. W., Computer simulation using particles. (CRC Press, 1988).CrossRefGoogle Scholar
Hagler, A. T., Huler, E. and Lifson, S., Journal of the American Chemical Society 96 (17), 5319–5327 (1974).CrossRefGoogle Scholar
Jorgensen, W. L., Chandrasekhar, J., Madura, J. D., Impey, R. W. and Klein, M. L., The Journal of Chemical Physics 79 (2), 926–935 (1983).CrossRefGoogle Scholar
Ryckaert, J.-P., Ciccotti, G. and Berendsen, H. J., Journal of Computational Physics 23 (3), 327–341 (1977).CrossRefGoogle Scholar
Rappe, A. K. and Goddard, W. A. III, The Journal of Physical Chemistry 95 (8), 3358–3363 (1991).CrossRefGoogle Scholar
O'SULLIVAN, A. C., Cellulose 4 (3), 173–207 (1997).CrossRefGoogle Scholar
Gomes, T. C. and Skaf, M. S., Journal of Computational Chemistry 33 (14), 1338–1346 (2012).CrossRefGoogle Scholar
Tam, L.-h. and Lau, D., RSC Advances 4 (62), 33074–33081 (2014).CrossRefGoogle Scholar
Shinoda, W., Shiga, M. and Mikami, M., Physical Review B 69 (13), 134103 (2004).CrossRefGoogle Scholar
Laio, A. and Gervasio, F. L., Reports on Progress in Physics 71 (12), 126601 (2008).CrossRefGoogle Scholar
Bonomi, M., Branduardi, D., Bussi, G., Camilloni, C., Provasi, D., Raiteri, P., Donadio, D., Marinelli, F., Pietrucci, F., Broglia, R. A. and Parrinello, M., Computer Physics Communications 180 (10), 1961–1972 (2009).CrossRefGoogle Scholar
Frihart, C. R., Handbook of wood chemistry and wood composites, 215 (2005).Google Scholar
Kretschmann, D., Nature materials 2 (12), 775–776 (2003).CrossRefGoogle ScholarPubMed
Keckes, J., Burgert, I., Frühmann, K., Müller, M., Kölln, K., Hamilton, M., Burghammer, M., Roth, S. V., Stanzl-Tschegg, S. and Fratzl, P., Nature materials 2 (12), 810–813 (2003).CrossRefGoogle Scholar
Humphrey, W., Dalke, A. and Schulten, K., Journal of molecular graphics 14 (1), 33–38 (1996).CrossRefGoogle Scholar
Lau, D. and Büyüköztürk, O., Mechanics of Materials 42 (12), 1031–1042 (2010).CrossRefGoogle Scholar
Zhou, A., Tam, L.-h., Yu, Z. and Lau, D., Composites Part B: Engineering 71, 63–73 (2015).CrossRefGoogle Scholar
Tuakta, C. and Büyüköztürk, O., Composites Part B: Engineering 42 (2), 145–154 (2011).CrossRefGoogle Scholar