Predicting microstructures in polymer blends under two-step quench in two-dimensional space

Li, Y. C.; Shi, Rong; Wang, C. P.; Liu, X. J.; Wang, Yang

doi:10.1103/physreve.83.041502

Cited by 8 publications

(7 citation statements)

References 44 publications

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“…The expressions differ in the free-energy functional F, which includes the auxiliary fields in the SCF theory. Considering a flow velocity v, equation ( 131) can be extended to the convective CH equation with a noise term [265]:…”

Section: Polymer Liquidsmentioning

confidence: 99%

See 1 more Smart Citation

Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview

Emmerich

Löwen

Wittkowski

et al. 2012

Advances in Physics

350

417

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Here, we review the basic concepts and applications of the phase-field-crystal (PFC) method, which is one of the latest simulation methodologies in materials science for problems, where atomic-and microscales are tightly coupled. The PFC method operates on atomic length and diffusive time scales, and thus constitutes a computationally efficient alternative to molecular simulation methods. Its intense development in materials science started fairly recently following the work by Elder et al. [Phys. Rev. Lett. 88 (2002), p. 245701]. Since these initial studies, dynamical density functional theory and thermodynamic concepts have been linked to the PFC approach to serve as further theoretical fundaments for the latter. In this review, we summarize these methodological development steps as well as the most important applications of the PFC method with a special focus on the interaction of development steps taken in hard and soft matter physics, respectively. Doing so, we hope to present today's state of the art in PFC modelling as well as the potential, which might still arise from this method in physics and materials science in the nearby future.Keywords: phase-field-crystal (PFC) models, static and dynamical density functional theory (DFT and DDFT), condensed matter dynamics of liquid crystals and polymers, nucleation and pattern formation, simulations in materials science, colloidal crystal growth and growth anisotropy * Corresponding authors. Emails: heike.emmerich@uni-bayreuth. de, hlowen@thphy.uni-duesseldorf.de, and grana@szfki.hu

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Section: Polymer Liquidsmentioning

confidence: 99%

“…Hydrogels. The PF method has also been applied to hydrogels [265], where the calculations consider free ions and charges fixed to the polymer network. The connectivity of the polymer network results in a shape elasticity as the hydrogel is swollen.…”

Section: Polymer Crystalsmentioning

confidence: 99%

Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview

Emmerich

Löwen

Wittkowski

et al. 2012

Advances in Physics

350

417

View full text Add to dashboard Cite

show abstract

“…TIPS, which is induced by rapidly changing the temperature of the polymer blends, is a common technique for producing composite materials or porous membranes [2]. The morphology of composite materials is determined by the quench depth [2], average concentration [3][4][5][6], hydrodynamic effects [7][8][9][10][11][12] and so on. The ability to predict and thereby control the morphology of the resulting materials is critical in attaining desired polymeric material properties [13].…”

Section: Introductionmentioning

confidence: 99%

Phase-field simulation of thermally induced spinodal decomposition in polymer blends

Shi

Wang

et al. 2012

Modelling Simul. Mater. Sci. Eng.

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A phase-field simulation of thermally induced phase separation with various initial average concentrations under different quench depths is systematically carried out in this paper. The resultant morphology of the phase-separated materials is determined by the quench temperature and the average concentration. A detailed understanding of the effects of quench depth during the phase separation process of spinodal decomposition (SD) is presented. The coarsening mechanism with various average concentrations is investigated. In addition, hydrodynamic effects play an important role in phase separation in liquid immiscible alloys. Therefore, a systematic comparison between systems with and without hydrodynamic effects under different conditions is also considered. The model developed and the results obtained could shed light on using SD in immiscible polymer systems to obtain desired nanostructures for advanced applications.

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“…In the late stage, the equilibrium concentrations are reached and the domain size is coarsening without a change in concentration, whereas the wavelength increases with time due to coarsening [9][10][11]. The kinetics of phase separation by demixing has been the focus of many theoretical and experimental studies [14][15][16][17]. In the absence of surface effects, the phase separation of a binary mixture in a bulk can typically generate two types of morphologies according to the average concentration.…”

Section: Physical Concept Of Phase Separationmentioning

confidence: 99%

Influence of evaporation on the morphology of a thin film of a partially miscible binary mixture

Rabani

Sadafi

Machrafi

et al. 2021

Colloids and Surfaces A: Physicochemical and Engineering Aspect

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In this paper, we develop numerical, theoretical and experimental analyses of the different morphologies that can be created by the phase separation phenomena that are induced by solvent evaporation in a thin film of a partially miscible binary mixture. Disregarding hydrodynamic effects, the Cahn-Hilliard-Cook and temperature equations are used to describe the thermodynamics of non-isothermal phase separation in a 2D thin film. Numerical simulations are performed to investigate the interplay between evaporation and phase separation and we examine the effect on the morphology of the film of several parameters such as the initial thickness of the layer, or the initial temperature and concentration of the mixture. Interestingly, the competition between evaporation and phase separation is shown to be the main determinant of the choice between a lamellar or a lateral pattern in the beginning of phase separation. For moderate evaporation rate, the spinodal instability takes place close to the evaporating interface and a lateral structure is formed. For stronger evaporation, the spinodal instability does not occur and a lamellar structure is created. In addition, the mid-or long-term evolution of the system is also considered. The thickness of the film is an important parameter in this analysis and possible modifications of the pattern over time are emphasized. Detailed physical and theoretical interpretations are proposed for the results and experiments in a Hele-Shaw cell that nicely confirm our predictions are presented.

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Predicting microstructures in polymer blends under two-step quench in two-dimensional space

Cited by 8 publications

References 44 publications

Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview

Phase-field-crystal models for condensed matter dynamics on atomic length and diffusive time scales: an overview

Phase-field simulation of thermally induced spinodal decomposition in polymer blends

Influence of evaporation on the morphology of a thin film of a partially miscible binary mixture

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