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The Phase Transition Model for Heat-Shrinkable Thermo-Sensitive Hydrogels Based on Interaction Energy

Published online by Cambridge University Press:  22 January 2015

Qiujin Peng ,
Hui Zhang  and
Zhengru Zhang
Qiujin Peng
Affiliation:
Department of Mathematics, The Hong Kong Polytechnic University, Hong Kong
Hui Zhang*
Affiliation:
Laboratory of Mathematics and Complex Systems, Ministry of Education, School of Mathematical Sciences, Beijing Normal University, Beijing 100875, P.R. China
Zhengru Zhang
Affiliation:
Laboratory of Mathematics and Complex Systems, Ministry of Education, School of Mathematical Sciences, Beijing Normal University, Beijing 100875, P.R. China
*
*Email addresses: qiujin.peng@connect.polyu.hk (Q. J. Peng), hzhang@bnu.edu.cn (H. Zhang), zrzhang@bnu.edu.cn (Z. R. Zhang)
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Abstract

A biphase mixture continuum mechanics model is derived for neutral heat-shrinkable thermo-sensitive hydrogels in this paper. The mixing free energy of the special mixture is recalculated based on the partition function of Bose system, and it evaluates the contribution of the hydrophilic, hydrophobic interaction and hydrogen bonding to the volume phase transition behaviors. The ideas of the Flory lattice theory and the UNIFAC group contribution method are employed to get the expression of the mixing free energy. Then we deduce a particular model by combining this mixing free energy with the conservation laws equations and constitutive relations of both phases to predict the volume transition behaviors of these special hydrogels.

Keywords

76A0576T9935Q9292E10Heat-shrinkable thermo-sensitive hydrogelsvolume phase transitionfree energyFlory lattice theorygroup contribution methodconservation law equations
Type
Research Article
Information
Communications in Computational Physics , Volume 17 , Issue 2 , February 2015 , pp. 594 - 614
Copyright
Copyright © Global Science Press Limited 2015 

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References

[1]Atkin, R.J. and Craine, R.E., Continuum theories of mixtures, basic theory and historical development, Q. J. Mech. Appl. Math., 29(1976), 209–244.Google Scholar
[2]Araki, T. and Tanaka, H., Three-dimensional numerical simulations of viscoelastic phase separation: Morphological characteristics, Macromolecules, 34(2001), 1953–1963.Google Scholar
[3]Cai, S. and Suo, Z.G., Mechanics and chemical thermodynamics of phase transition in temperature-sensitive hydrogels, J. Mech. Phys. Solids, 59(2011), 2259–2278.Google Scholar
[4]Cheng, L. and Wang, M., A kind of thermo-sensitive intelligent hydrogel(Chinese), Chinese Modern Education Equipment, 24 (2012), 64–65.Google Scholar
[5]Doi, M., Gel dynamics, J., Phys. Soc. Japan, 78(2009), 052001.Google Scholar
[6]Flory, P.J., Principles of Polymer Chemistry, Cornell Univ Press, 1953.Google Scholar
[7]Fredenslund, A., Gmehling, J., Michelsen, M.L., Rasmussen, P. and Prausnitz, J.M.. Computerized design of multicomponent distillation columns using the UNIFAC group contribution method for calculation of activity coefficients, Ind. Eng. Chem. Process Des. Dev., 16(1977), 450–462.Google Scholar
[8]Forest, M.G., Liao, Q.Q. and Wang, Q., A 2-D kinetic theory for flows of monodomain polymer-rod nanocomposites, Commun. Comput. Phys., 7(2010), 250–282.Google Scholar
[9]Gawin, D., Majorana, C.E and Schrefler, B.A, Numerical analysis of hygro-thermal behaviour and damage of concrete at high temperature, Mech. Cohes. Frict. Mat., 1999,4(1999), 37–74.Google Scholar
[10]Hassanizadeh, M. and Gray, W.G., General conservation equations for multiphase systems: 2.Mass, momenta, energy, and entropy equations, Adv. Water Resour, 2(1979), 191–203.Google Scholar
[11]Hassanizadeh, M. and Gray, W.G., General conservation equations for multi-phase systems:3.Constitutive theory for porous media flow, Adv. Water Resour., 3(1980), 25–40.Google Scholar
[12]He, M.J., Zhang, H.D., Chen, W.X. and Dong, X.X., Polymer Physics(Chinese), Fudan University Press, 1983.Google Scholar
[13]Huyghe, J. and Janssen, J.D., Thermo-chemo-electro-mechanical formulation of saturated charged porous solids, Trans. Porous Media, 34(1999), 129–141.Google Scholar
[14]Kim, J., Phase-field models for multi-component fluid flows, Commun. Comput. Phys., 12(2012),613–661.Google Scholar
[15]Li, H., Smart Hydrogel Modeling, Springer-Verlag, 2009.Google Scholar
[16]Lustig, S.R., Caruthers, J.M. and Peppas, N.A., Continuum thermodynamics and transport theory for polymer fluid mixtures, Chemical Engineering Science, 47(1992), 3037–3057.Google Scholar
[17]Onuki, A., Long-range interactions through elastic fields in phase-separating solids, J. Phys. Soc. Japan, 58(1989), 3069–3072.Google Scholar
[18]Shen, J., Yang, X.F. and Wang, Q., Mass and volume conservation in phase field models for binary fluids, Commun. Comput. Phys., 13(2013), 1045–1065.Google Scholar
[19]Tanaka, T., Fillmore, D., Sun, S.T., Nishio, I., Swislow, G. and Shah, A., Phase transitions in ionic gels, Phys. Rev. Lett., 45(1980), 1636–1639.Google Scholar
[20]Wang, L., and Han, S.H., The molecular structure, properties and activity(Chinese), Environmental Chemistry, 46(1997), 272.Google Scholar
[21]Wang, , Li, Y. and Hu, Z., Swelling kinetics of polymer gels, Macromolecules, 30(1997), 4727–4732.Google Scholar
[22]Wang, X. and Li, Y.Q., Kinetics analysis of volume phase transition of intelligent neutral thermo-sensitive hydrogels, Phys. Mech. Astr., 51(2008), 532–540.Google Scholar
[23]Xu, W., Gao, C. and Liu, L., Thermo-sensitive hydrogels, J. Modern food Medicine, 17(2007),60–62.Google Scholar
[24]Yamaue, T., Mukai, H., Asaka, K. and Doi, M., Electrostress diffusion coupling model for poly-electrolyte gels, Macromolecules, 38(2005), 1349–1356.Google Scholar
[25]Yao, X.M. and Zhang, H., Kinetic Model for the Large Deformation of Cylindrical Gels, J. Theoret. Computat. Chem., 13(2014), 1450032.Google Scholar
[26]Yuan, C.H. and Zhang, H., Self-consistent mean field model of hydrogel and its numerical simulation, J. Theoret. Comput. Chem., 12 (2013), 1350048.Google Scholar
[27]Zhai, D. and Zhang, H., Investigation on the application of TDGL equation in macromolecular microsphere composite Hydrogel, Soft Matter, 9(2013), 820–825.Google Scholar
[28]Zhang, L., Zhang, J.Y and Du, Q., Finding critical nuclei in phase transformations by shrinking dimer dynamics and its variants, Commun. Comput. Phys., 16(2014), 781–798.Google Scholar
[29]Zhang, S.P., Liu, C. and Zhang, H., Numerical simulations of hydrodynamics of nematic liquidcrystals: effects of kinematic transports, Commun. Comput. Phys., 9(2011), 974–993.Google Scholar