Isogeometric analysis of thermal diffusion in binary blends

Abstract In modern technical applications diverse multiphase mixtures are used to meet demanding mechanical, chemical and electrical requirements. Consequently multicomponent systems such as biological tissues in medical science, metallic alloys or polymer solutions occupy a crucial role in everyday life. Therefore the material specific modulation of these systems and their application became a subject of recent studies. In this contribution we will study the impact of thermal diffusion (Ludwig–Soret effect) on the microstructural evolution of the binary polymer blend consisting of poly(dimethylsiloxane) and poly(ethyl-methylsiloxane). This polymer blend has a wide range of applications such as coating implementations and cosmetics manufacturing. For this reason we focus on diffusion induced phase separation and coarsening in the presence of a local non-uniform temperature field. In order to capture the microstructural evolution we apply a Cahn–Hilliard phase-field model, which is here extended by an additional thermal diffusivity. The diffusion equation under consideration constitutes a partial differential equation involving spatial derivatives of fourth order. Thus, the variational formulation of the problem requires approximation functions which are piecewise smooth and globally C 1 -continuous. In this paper we employ the innovative isogeometric concept of finite element analysis in order to fulfill this demanding continuity requirement. A concluding comparison of experimental observations and numerical simulations of phase separation in the presence of local temperature fields of a critical PDMS/PEMS polymer blend will illustrate the flexibility and versatility of our approach.

[1]  Bates,et al.  Critical behavior of binary liquid mixtures of deuterated and protonated polymers. , 1985, Physical review letters.

[2]  J. E. Hilliard,et al.  Spinodal decomposition: A reprise , 1971 .

[3]  W. Enge,et al.  Thermal diffusion in a critical polymer blend , 2004 .

[4]  Xian-she Feng,et al.  A Computational Study of the Polymerization‐Induced Phase Separation Phenomenon in Polymer Solutions under a Temperature Gradient , 2003 .

[5]  Xian-she Feng,et al.  A Computational Study into Thermally Induced Phase Separation in Polymer Solutions under a Temperature Gradient , 2002 .

[6]  J. E. Hilliard,et al.  Free Energy of a Nonuniform System. I. Interfacial Free Energy , 1958 .

[7]  D. Braun,et al.  Optical thermophoresis for quantifying the buffer dependence of aptamer binding. , 2010, Angewandte Chemie.

[8]  Jie Shen,et al.  A phase field model for the mixture of two incompressible fluids and its approximation by a Fourier-spectral method , 2003 .

[9]  Xian-she Feng,et al.  Morphology development and characterization of the phase-separated structure resulting from the thermal-induced phase separation phenomenon in polymer solutions under a temperature gradient , 2004 .

[10]  W. Köhler,et al.  Quenching a UCST Polymer Blend into Phase Separation by Local Heating , 2007 .

[11]  P. Gennes Dynamics of fluctuations and spinodal decomposition in polymer blends , 1980 .

[12]  H. E. Cook,et al.  Brownian motion in spinodal decomposition , 1970 .

[13]  Paul C. Fife,et al.  Thermodynamically consistent models of phase-field type for the kinetics of phase transitions , 1990 .

[14]  John E. Hilliard,et al.  Free Energy of a Nonuniform System. III. Nucleation in a Two‐Component Incompressible Fluid , 1959 .

[15]  Héctor D. Ceniceros,et al.  Computation of multiphase systems with phase field models , 2002 .

[16]  John W. Cahn,et al.  Free Energy of a Nonuniform System. II. Thermodynamic Basis , 1959 .

[17]  M. I. M. Copetti Numerical experiments of phase separation in ternary mixtures , 2000 .

[18]  G. R. Strobhl Structure evolution during spinodal decomposition of polymer blends , 1985 .

[19]  T. Hughes,et al.  Isogeometric analysis of the Cahn–Hilliard phase-field model , 2008 .

[20]  Thomas J. R. Hughes,et al.  Isogeometric Analysis: Toward Integration of CAD and FEA , 2009 .

[21]  Long-Qing Chen Phase-Field Models for Microstructure Evolution , 2002 .

[22]  A. Krekhov,et al.  Phase separation in the presence of spatially periodic forcing. , 2004, Physical review. E, Statistical, nonlinear, and soft matter physics.

[23]  W. Enge,et al.  Thermal patterning of a critical polymer blend. , 2005, Physical review letters.

[24]  Numerical investigation of diffusion induced coarsening processes in binary alloys , 2010 .

[25]  Dieter W. Heermann,et al.  Spinodal decomposition of polymer films , 1986 .

[26]  Anders Kristensen,et al.  Light-induced local heating for thermophoretic manipulation of DNA in polymer micro- and nanochannels. , 2010, Nano letters.

[27]  John W. Cahn,et al.  On Spinodal Decomposition , 1961 .

[28]  P. Flory Thermodynamics of High Polymer Solutions , 1941 .

[29]  K. Weinberg,et al.  Numerical simulation of diffusion induced phase separation and coarsening in binary alloys , 2011 .

[30]  M. Huggins,et al.  Theory of Solutions of High Polymers1 , 1942 .