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000019741 084__ $$2WoS$$aPhysics, Atomic, Molecular & Chemical
000019741 1001_ $$0P:(DE-HGF)0$$aGapinski, J.$$b0
000019741 245__ $$aFreezing lines of colloidal Yukawa spheres. I. A Rogers-Young integral equation study
000019741 260__ $$aMelville, NY$$bAmerican Institute of Physics$$c2012
000019741 300__ $$a024507
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000019741 440_0 $$03145$$aJournal of Chemical Physics$$v136$$x0021-9606$$y2
000019741 500__ $$aG.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.
000019741 520__ $$aUsing the Rogers-Young (RY) integral equation scheme for the static structure factor combined with the one-phase Hansen-Verlet (HV) freezing rule, we study the equilibrium structure and two-parameter freezing lines of colloidal particles with Yukawa-type pair interactions representing charge-stabilized silica spheres suspended in dimethylformamide (DMF). Results are presented for a vast range of concentrations, salinities and effective charges covering particles with masked excluded-volume interactions. The freezing lines were obtained for the low-charge and high-charge solutions of the static structure factor, for various two-parameter sets of experimentally accessible system parameters. All RY-HV based freezing lines can be mapped on a universal fluid-solid coexistence line in good agreement with computer simulation predictions. The RY-HV calculations extend the freezing lines obtained in earlier simulations to a broader parameter range. The experimentally observed fluid-bcc-fluid reentrant transition of charged silica spheres in DMF can be explained using the freezing lines obtained in this work.
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000019741 650_2 $$2MeSH$$aAlgorithms
000019741 650_2 $$2MeSH$$aColloids: chemistry
000019741 650_2 $$2MeSH$$aComputer Simulation
000019741 650_2 $$2MeSH$$aDimethylformamide: chemistry
000019741 650_2 $$2MeSH$$aFreezing
000019741 650_2 $$2MeSH$$aSilicon Dioxide: chemistry
000019741 650_7 $$00$$2NLM Chemicals$$aColloids
000019741 650_7 $$068-12-2$$2NLM Chemicals$$aDimethylformamide
000019741 650_7 $$07631-86-9$$2NLM Chemicals$$aSilicon Dioxide
000019741 650_7 $$2WoSType$$aJ
000019741 7001_ $$0P:(DE-Juel1)130858$$aNägele, G.$$b1$$uFZJ
000019741 7001_ $$0P:(DE-HGF)0$$aPatkowski, A.$$b2
000019741 773__ $$0PERI:(DE-600)1473050-9$$a10.1063/1.3675607$$gVol. 136, p. 024507$$p024507$$q136<024507$$tThe @journal of chemical physics$$v136$$x0021-9606$$y2012
000019741 8567_ $$uhttp://dx.doi.org/10.1063/1.3675607
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