Phase behavior of ionic microgels -: art. no. 068301

被引:124
作者
Gottwald, D
Likos, CN
Kahl, G
Löwen, H
机构
[1] Vienna Tech Univ, Ctr Computat Mat Sci, A-1040 Vienna, Austria
[2] Vienna Tech Univ, Inst Theoret Phys, A-1040 Vienna, Austria
[3] Univ Dusseldorf, Inst Theoret Phys 2, D-40225 Dusseldorf, Germany
关键词
D O I
10.1103/PhysRevLett.92.068301
中图分类号
O4 [物理学];
学科分类号
0702 ;
摘要
We employ effective interaction potentials between spherical polyelectrolyte microgels in order to investigate theoretically the structure, thermodynamics, and phase behavior of ionic microgel solutions. Combining a genetic algorithm with accurate free energy calculations we are able to perform an unrestricted search of candidate crystal structures. Hexagonal, body-centered orthogonal, and trigonal crystals are found to be stable at high concentrations and charges of the microgels, accompanied by reentrant melting behavior and fluid-fcc-bcc transitions below the overlap concentration.
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页数:4
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