The fluid-fluid interface in a model colloid-polymer mixture: Application of grand canonical Monte Carlo to asymmetric binary mixtures

We present a Monte Carlo method to simulate asymmetric binary mixtures in the grand canonical ensemble. The method is used to study the colloid-polymer model of Asakura and Oosawa. We determine the phase diagram of the fluid-fluid unmixing transition and the interfacial tension, both at high polymer density and close to the critical point. We also present density profiles in the two-phase region. The results are compared to predictions of a recent density functional theory.Comment: 4 pages, 4 figure

Revealing the obscured supernova remnant Kes 32 with Chandra

I report here on the analysis and interpretation of a Chandra observation of the supernova remnant Kes 32. Kes 32 is rather weak in X-rays due to a large interstellar absorption, which is found to be ~4E22 cm^-2, larger than previously reported. Spectral analysis indicates that the ionization age of this object is very young, with n_e t ~ 4E9 cm^-3s, and a temperature of kT_e ~ 1 keV. The X-ray emission peaks at a smaller radius than in the radio. The low ionization age suggests that Kes 32 is a young remnant. However, a young age is in contradiction with the relatively large apparent size, which indicates an age of several thousand years, instead of a few hundred years. This problem is discussed in connection with Kes 32's unknown distance and its possible association with the Norma galactic arm.Comment: Accepted for publication in the Astrophysical Journal. 7 pages, 7 figure

Simulation and theory of fluid demixing and interfacial tension of mixtures of colloids and non-ideal polymers

An extension of the Asakura-Oosawa-Vrij model of hard sphere colloids and non-adsorbing polymers, that takes polymer non-ideality into account through a repulsive stepfunction pair potential between polymers, is studied with grand canonical Monte Carlo simulations and density functional theory. Simulation results validate previous theoretical findings for the shift of the bulk fluid demixing binodal upon increasing strength of polymer-polymer repulsion, promoting the tendency to mix. For increasing strength of the polymer-polymer repulsion, simulation and theory consistently predict the interfacial tension of the free colloidal liquid-gas interface to decrease significantly for fixed colloid density difference in the coexisting phases, and to increase for fixed polymer reservoir packing fraction.Comment: 10 pages, 4 figure

Fluids with quenched disorder: Scaling of the free energy barrier near critical points

In the context of Monte Carlo simulations, the analysis of the probability distribution $P_L(m)$ of the order parameter $m$, as obtained in simulation boxes of finite linear extension $L$, allows for an easy estimation of the location of the critical point and the critical exponents. For Ising-like systems without quenched disorder, $P_L(m)$ becomes scale invariant at the critical point, where it assumes a characteristic bimodal shape featuring two overlapping peaks. In particular, the ratio between the value of $P_L(m)$ at the peaks ($P_{L, max}$) and the value at the minimum in-between ($P_{L, min}$) becomes $L$-independent at criticality. However, for Ising-like systems with quenched random fields, we argue that instead $\Delta F_L := \ln (P_{L, max} / P_{L, min}) \propto L^\theta$ should be observed, where $\theta>0$ is the "violation of hyperscaling" exponent. Since $\theta$ is substantially non-zero, the scaling of $\Delta F_L$ with system size should be easily detectable in simulations. For two fluid models with quenched disorder, $\Delta F_L$ versus $L$ was measured, and the expected scaling was confirmed. This provides further evidence that fluids with quenched disorder belong to the universality class of the random-field Ising model.Comment: sent to J. Phys. Cond. Mat

Capillary Waves in a Colloid-Polymer Interface

The structure and the statistical fluctuations of interfaces between coexisting phases in the Asakura-Oosawa (AO) model for a colloid--polymer mixture are analyzed by extensive Monte Carlo simulations. We make use of a recently developed grand canonical cluster move with an additional constraint stabilizing the existence of two interfaces in the (rectangular) box that is simulated. Choosing very large systems, of size LxLxD with L=60 and D=120, measured in units of the colloid radius, the spectrum of capillary wave-type interfacial excitations is analyzed in detail. The local position of the interface is defined in terms of a (local) Gibbs surface concept. For small wavevectors capillary wave theory is verified quantitatively, while for larger wavevectors pronounced deviations show up. For wavevectors that correspond to the typical distance between colloids in the colloid-rich phase, the interfacial fluctuations exhibit the same structure as observed in the bulk structure factor. When one analyzes the data in terms of the concept of a wavevector-dependent interfacial tension, a monotonous decrease of this quantity with increasing wavevector is found. Limitations of our analysis are critically discussed.Comment: 12 pages, 15 figure

Critical phenomena in colloid-polymer mixtures: interfacial tension, order parameter, susceptibility and coexistence diameter

The critical behavior of a model colloid-polymer mixture, the so-called AO model, is studied using computer simulations and finite size scaling techniques. Investigated are the interfacial tension, the order parameter, the susceptibility and the coexistence diameter. Our results clearly show that the interfacial tension vanishes at the critical point with exponent 2\nu ~ 1.26. This is in good agreement with the 3D Ising exponent. Also calculated are critical amplitude ratios, which are shown to be compatible with the corresponding 3D Ising values. We additionally identify a number of subtleties that are encountered when finite size scaling is applied to the AO model. In particular, we find that the finite size extrapolation of the interfacial tension is most consistent when logarithmic size dependences are ignored. This finding is in agreement with the work of Berg et al.[Phys. Rev. B, V47 P497 (1993)]Comment: 13 pages, 16 figure

Wall-Fluid and Liquid-Gas Interfaces of Model Colloid-Polymer Mixtures by Simulation and Theory

We perform a study of the interfacial properties of a model suspension of hard sphere colloids with diameter $\sigma_c$ and non-adsorbing ideal polymer coils with diameter $\sigma_p$. For the mixture in contact with a planar hard wall, we obtain from simulations the wall-fluid interfacial free energy, $\gamma_{wf}$, for size ratios $q=\sigma_p/\sigma_c=0.6$ and 1, using thermodynamic integration, and study the (excess) adsorption of colloids, $\Gamma_c$, and of polymers, $\Gamma_p$, at the hard wall. The interfacial tension of the free liquid-gas interface, $\gamma_{lg}$, is obtained following three different routes in simulations: i) from studying the system size dependence of the interfacial width according to the predictions of capillary wave theory, ii) from the probability distribution of the colloid density at coexistence in the grand canonical ensemble, and iii) for statepoints where the colloidal liquid wets the wall completely, from Young's equation relating $\gamma_{lg}$ to the difference of wall-liquid and wall-gas interfacial tensions, $\gamma_{wl}-\gamma_{wg}$. In addition, we calculate $\gamma_{wf}, \Gamma_c$, and $\Gamma_p$ using density functional theory and a scaled particle theory based on free volume theory. Good agreement is found between the simulation results and those from density functional theory, while the results from scaled particle theory quantitatively deviate but reproduce some essential features. Simulation results for $\gamma_{lg}$ obtained from the three different routes are all in good agreement. Density functional theory predicts $\gamma_{lg}$ with good accuracy for high polymer reservoir packing fractions, but yields deviations from the simulation results close to the critical point.Comment: 23 pages, 10 figures, REVTEX. Fig 5a changed. Final versio