Freezing lines of colloidal Yukawa spheres. I. A Rogers-Young integral equation study

Gapinski, J.; Nägele, G.; Patkowski, A.

doi:10.1063/1.3675607

Journal Article

PreJuSER-19741

Freezing lines of colloidal Yukawa spheres. I. A Rogers-Young integral equation study

Gapinski, J. ; Nägele, G.FZJ* ; Patkowski, A.

2012
American Institute of Physics Melville, NY

The journal of chemical physics 136, 024507 (2012) [10.1063/1.3675607]

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Please use a persistent id in citations: http://hdl.handle.net/2128/4628 doi:10.1063/1.3675607

Abstract: Using the Rogers-Young (RY) integral equation scheme for the static structure factor combined with the one-phase Hansen-Verlet (HV) freezing rule, we study the equilibrium structure and two-parameter freezing lines of colloidal particles with Yukawa-type pair interactions representing charge-stabilized silica spheres suspended in dimethylformamide (DMF). Results are presented for a vast range of concentrations, salinities and effective charges covering particles with masked excluded-volume interactions. The freezing lines were obtained for the low-charge and high-charge solutions of the static structure factor, for various two-parameter sets of experimentally accessible system parameters. All RY-HV based freezing lines can be mapped on a universal fluid-solid coexistence line in good agreement with computer simulation predictions. The RY-HV calculations extend the freezing lines obtained in earlier simulations to a broader parameter range. The experimentally observed fluid-bcc-fluid reentrant transition of charged silica spheres in DMF can be explained using the freezing lines obtained in this work.

Keyword(s): Algorithms (MeSH) ; Colloids: chemistry (MeSH) ; Computer Simulation (MeSH) ; Dimethylformamide: chemistry (MeSH) ; Freezing (MeSH) ; Silicon Dioxide: chemistry (MeSH) ; Colloids ; Dimethylformamide ; Silicon Dioxide ; J

Classification:

Physics, Atomic, Molecular & Chemical

Note: G.N. acknowledges support by the Deutsche Forschungsgemeinschaft (SFB-TR6, project B2) and helpful discussions with M. Heinen and A.J. Banchio. Partial support by the "SoftComp" Network of Excellence (Grant No. S080118) is gratefully acknowledged. Partial support by the Polish National Science Centre (Grant No. 2011/01/B/ST3/02271) is gratefully acknowledged. J.G. acknowledges partial support by the Human Capital Operating Program, Project 4.1.1 for the Faculty of Physics, Adam Mickiewicz University Poznan, Poland. The experimental data in Fig. 12 were obtained by SAXS experiments at ESRF reported in Ref. 10, in cooperation with J. Buitenhuis, P. Holmqvist, P. Lettinga, and G. Meier (Reseach Centre Julich, Germany). We thank them for their permission to show these data in the present paper.

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