Phase field model simulations of hydrogel dynamics under chemical stimulation

Colloid and Polymer Science

Volumn 289, Issue 5-6, 2011, Pages 513-521

  Li, Daming ^a,b   Yang, HongLiu ^a   Emmerich, Heike ^a  

^a UNIVERSITY OF BAYREUTH   (Germany)

^b SHANGHAI JIAO TONG UNIVERSITY   (China)

Author keywords

Hydrogel; Numerical simulation; Phase field model; Swelling

Indexed keywords

CHEMICAL STIMULATION; DRUG DELIVERY SYSTEM; EXTERNAL STIMULATION; IONIC TRANSPORTS; MECHANICAL EQUATIONS; MOBILE IONS; MODEL APPROACH; MOVING BOUNDARY PROBLEMS; NERNST-PLANCK EQUATIONS; NEW MODEL; PHASE FIELD MODEL; PHASE FIELD MODELS; PHASE FIELDS; SHORT-RANGE CORRELATIONS; SWELLING KINETICS;

COMPUTER SIMULATION; DRUG DELIVERY; DYNAMICS; ELECTRIC POTENTIAL; IONIC CONDUCTION; PHASE INTERFACES; POISSON EQUATION;

HYDROGELS;

AQUEOUS SOLUTION; ARTICLE; CHEMICAL STRESS; CONCENTRATION RESPONSE; DYNAMICS; ELECTRIC POTENTIAL; HYDROGEL; ION TRANSPORT; KINETICS; MATHEMATICAL MODEL; MATHEMATICAL PARAMETERS; NERNST EQUATION; PHASE FIELD MODEL; PRIORITY JOURNAL; SIMULATION; VALIDATION PROCESS;

EID: 79959195002     PISSN: 0303402X     EISSN: 14351536     Source Type: Journal    
DOI: 10.1007/s00396-011-2381-4     Document Type: Article

References (62)

1. Qiu Y, Park K (2001) Environment-sensitive hydrogels for drug delivery. Adv Drug Deliv Rev 53:321-339 (Pubitemid 34024913)
2. Kim SJ, Park SJ, Kim SI (2004) Properties of smart hydrogels composed of polyacrylic acid/poly(vinyl sulfonic acid) responsive to external stimuli. Smart Mater Struct 13:317-322
3. Hirotsu S, Hirokawa Y, Tanaka T (1987) Volume-phase transitions of ionized N-isopropylacrylamide gels. J Chem Phys 87:1392-1395
4. Kuhn W, Hargitay B, Katchalsky A, Eisenberg H (1950) Reversible dilation and contraction by changing the state of ionization of high-polymer acid networks. Nature 165:514-516
5. De SK, Aluru NR, Johnson B, Crone WC, Beebe DJ, Moore J (2002) Equilibrium swelling and kinetics of pH-responsive hydrogels: models, experiments, and simulations. J Microelectromech Syst 11:544-555 (Pubitemid 35242060)
6. Ohmine I, Tanaka T (1982) Salt effects on the phase transition of ionic gels. J Chem Phys 77:5725-5729
7. Tanaka T, Nishio I, Sun ST, Ueno-Nishio S (1982) Collapse of gels in an electric field. Science 218:467-469
8. Sun S, Mak Arthur FT (2001) The dynamical response of a hydrogel fiber to electrochemical stimulation. J Polym Sci Polym Phys 39:236-246 (Pubitemid 32089395)
9. Zourob M, Ong KG, Zeng K, Mouffouk F, Grimes CA (2007) A wireless magnetoelastic biosensor for the direct detection of organophosphorus pesticides. Analyst 132:338-343 (Pubitemid 46494493)
10. Khaled A, George KK, Amarjeet SB (2006) Photo-responsive hydrogel for controlling flow on a microfluidic chip. In: Proc. SPIE, p 6343
11. Suzuki A, Tanaka T (1990) Phase transition in polymer gels induced by visible light. Nature 346:345
12. Houk J, Whitesides GM (1987) Structure-reactivity relations for thiol-disulfide interchange. J Am Chem Soc 109(22):6825-6836
13. Chatterjee AN, Yu Q, Moore JS, Aluru NR (2003) Mathematical modeling and simulation of dissolvable hydrogels. J Aerosp Eng 16:55-64 (Pubitemid 40265227)
14. Galaev IY, Mattiasson B (1999) Smart polymers and what they could do in biotechnology and medicine. Trends Biotech 17:335-340 (Pubitemid 29342314)
15. Luo XL, Xu JJ, Du Y, Chen HY (2004) A glucose biosensor based on chitosan-glucose oxidase-gold nanoparticles biocomposite formed by one-step electrodeposition. Anal Biochem 334:284-289 (Pubitemid 39370963)
16. Hoffman AS (2002) Hydrogels for biomedical applications. Adv Drug Deliv Rev 54:3-12
17. Mao L, Hu Y, Piao Y, Chen X, Xian W, Piao D (2005) Structure and character of artificialmusclemodel constructed from fibrous hydrogel. Curr Appl Phys 5:429-428
18. Eddington DT, Beebe DJ (2004) Flow control with hydrogels. Adv Drug Deliv Rev 56:199-210 (Pubitemid 38114931)
19. Roy I, Gupta MN (2003) Smart polymeric materials: emerging biochemical applications. Chem Biol 10:1161-1171 (Pubitemid 38042721)
20. Nishizawa K, Shirose T, Itoh O (1981) Disposable diaper. United States Patent 4790836
21. Zrínyi M, Szilágyi A, Filipcsei G, Fehér J, Szalma J, Móczár G (2001) Smart gel-glass based on the responsive properties of polymer gels. Polym Adv Technol 12:501-505
22. Wu S, Li H, Chen JP, Lam KY (2004) Modeling investigation of hydrogel volume transition. Macromol Theory Simul 13:13-29
23. Wallmersperger T, Wittel FK, Kröplin B (2006) Multiscale modeling of polyelectrolyte gels. Smart structures and materials 2006: Electroactive polymer actuators and devices (EAPAD). In: Proceedings of SPIE, vol 6168, 61681H-1
24. Saunders JR, Abu-Salih S, Khaleque T, Hanula S, Moussa W (2008) Modeling theories of intelligent hydrogel polymers. J Comput Theor Nanosci 5:1942-1960
25. Kenkare NR, Hall CK, Khan SA (2000) Theory and simulation of the swelling of polymer gels. J Chem Phys 113:404-418
26. Gilra N, Panagiotopoulos AZ, Cohen C (2001) Monte Carlo simulations of polymer network deformation. Macromolecules 34:6090-6096 (Pubitemid 34217222)
27. Schneider S, Linse P (2003) Monte Carlo simulation of defect-free cross-linked polyelectrolyte gels. J Phys Chem B 107:8030-8040
28. Aydt EM, Hentschke R (2000) Swelling of a model network: a Gibbs-ensemble molecular dynamics study. J Chem Phys 112:5480-5487
29. Lu ZY, Hentschke R (2002) Swelling of model polymer networks with different cross-link densities: a computer simulation study. Phys Rev E 66:041803-041810
30. Nick B, Suter UW (2001) Solubility of water in polymers - atomistic simulations. Comput Theor Polymer Sci 11:49-55
31. Deshmukh S, Mooney DA, McDermott T, Kulkarni S, Don MacElro JM (2009) Molecular modeling of thermo-responsive hydrogels: observation of lower critical solution temperature. Soft Matter 5:1514-1521
32. Flory PJ (1953) Principles of polymer chemistry. Cornell University Press, Ithaca
33. Kovac J (1977) Modified Gaussian model for rubber elasticity. Macromolecules 11:362-365
34. Anthony JG, William HB (1982) The freely jointed chain in expanded form. J Chem Phys 79:2411-2418
35. Erman B, Flory PJ (1986) Critical phenomena and transitions in swollen polymer networks and in linear macromolecules. Macromolecules 19:2342
36. English AE, Mafé S, Manzanares J, Yu X, Grosberg AY (1996) Equilibrium swelling properties of polyampholytic hydrogels. J Chem Phys 104:8713-8720 (Pubitemid 126733031)
37. Maurer G, Prausnitz JM (1996) Thermodynamics of phase equilibrium for systems containing gels. Fluid Phase Equilib 115:113-133 (Pubitemid 126399939)
38. Okay O, Sariisik SB (2000) Swelling behavior of poly(acrylamide-co-sodium acrylate) hydrogels in aqueous salt solutions: theory versus experiments. Eur Polym J 36:393-399
39. Lai WM, Hou JS, Mow VC (1991) A triphasic theory for the swelling and deformation behaviors of articular cartilage. J Biomech Eng 113:245-259
40. Huyghe JM, Janssen JD (1997) Quadriphasic mechanics of swelling incompressible porous media. Int J Eng Sci 35:793-802 (Pubitemid 127412455)
41. Sun DN, Gu WY, Guo XE, Lai WM, Mow VC (1999) A mixed finite element formulation of triphasic mechano-electrochemical theory for charged, hydrated biological soft tissues. Int J Numer Methods Eng 45:1375-1402 (Pubitemid 129540467)
42. Hon YC, Lu MW, Xue WM, Zhou X (1999) A new formulation and computation of the triphasic model for mechano-electrochemical mixtures. Comput Mech 24:155-165 (Pubitemid 30505441)
43. Zhou X, Hon YC, Sun S, Mak AFT (2002) Numerical simulation of the steady-state deformation of a smart hydrogel under an external electric field. Smart Mater Struct 11:459-467 (Pubitemid 34758955)
44. Wolgemuth CW, Mogilner A, Oster G (2004) The hydration dynamics of polyelectrolyte gels with applications to cell motility and drug delivery. Eur Biophys J 33:146-158 (Pubitemid 38987101)
45. Ehlers W (2002) Foundations of multiphasic and porous materials. In: Ehlers W, Bluhm J (eds) Porous media: theory, experiments and numerical applications. Springer, Berlin, pp 3-86
46. Acartürk AY (2009) Simulation of charged hydrated porous materials. ISBN 3-937399-18-6, D 93. Dissertation, Universität Stuttgart
47. Doi M, Matsumoto M, Hirose Y (1992) Deformation of ionic polymer gels by electric fields. Macromolecules 25:5504-5511 (Pubitemid 23572186)
48. Grimshaw PE, Nussbaum JH, Grodzinsky AJ, Yarmush ML (1990) Kinetics of electrically and chemically induced swelling in polyelectrolyte gels. J Chem Phys 93:4462-4472
49. De SK, Aluru NR, Johnson B (2002) Equilibrium swelling and kinetics of pH-responsive hydrogels: models, experiments, and simulations. J Microelectron Syst 11:544-555
50. De SK, Aluru NR (2004) A chemo-electro-mechanical mathematical model for simulation of pH sensitive hydrogels. Mech Mater 36:395-410
51. Chatterjee AN, Yu Q, Moore JS, Aluru NR (2003) Mathematical modeling and simulation of dissolvable hydrogels. J Aerosp Eng 16:55-64 (Pubitemid 40265227)
52. Segalman DJ, Witkowski WR, Adolf DB, Shahinpoor M (1992) Theory and application of electrically controlled polymeric gels. Smart Mater Struct 1:95-100
53. Segalman DJ, Witkowski WR (1995) Two-dimensional finite element analysis of a polymer gel drug delivery system. Mater Sci Eng C 2:243-249
54. Brock D, Lee W, Segalman DJ, Witkowski WR (1994) A dynamic model of a linear actuator based on polymer hydrogel. J Intell Mater Syst Struct 5:764-771
55. Li H, Ng TY, Yew YK, Lam KY (2005) Modeling and simulation of the swelling behavior of pH-stimulus-responsive hydrogels. Biomacromolecules 6:109-120 (Pubitemid 40277006)
56. Li H, Chen J, Lam KY (2007) Transient simulation of electric-sensitive hydrogels. Biosens Bioelectron 22:1633-1641
57. Wallmersperger T, Kröplin B, Gülch RW (2004) Coupled chemo-electro-mechanical formulation for ionic polymer gels-numerical and experimental investigations. Mech Mater 36:411-420
58. Ballhause D, Wallmersperger T (2008) Coupled chemoelectro-mechanical finite element simulation of hydrogels: I. Chemical stimulation. Smart Mater Struct 17:045011
59. Wallmersperger T, Ballhause D (2008) Coupled chemoelectro-mechanical finite element simulation of hydrogels: II. Electrical stimulation. Smart Mater Struct 17:045012
60. Emmerich H (2003) The diffuse interface approach in materials science: thermodynamic concepts and applications of phase-field models. Springer, New York, ISBN-10:3540004165
61. Wheeler AA, Boettinger WJ, McFadden GB (1992) Phase-field model for isothermal phase transitions in binary alloys. Phys Rev A 45:7427-7439
62. Rička J, Tanaka T (1984) Swelling of ionic gels: quantitative performance of the donnan theory. Macromolecules 17:2916-2921