The role of long-range forces in the phase behavior of colloids and proteins

The phase behavior of colloid-polymer mixtures, and of solutions of globular proteins, is often interpreted in terms of a simple model of hard spheres with short-ranged attraction. While such a model yields a qualitative understanding of the generic phase diagrams of both colloids and proteins, it fails to capture one important difference: the model predicts fluid-fluid phase separation in the metastable regime below the freezing curve. Such demixing has been observed for globular proteins, but for colloids it appears to be pre-empted by the appearance of a gel. In this paper, we study the effect of additional long-range attractions on the phase behavior of spheres with short-ranged attraction. We find that such attractions can shift the (metastable) fluid-fluid critical point out of the gel region. As this metastable critical point may be important for crystal nucleation, our results suggest that long-ranged attractive forces may play an important role in the crystallization of globular proteins. However, in colloids, where refractive index matching is often used to switch off long-ranged dispersion forces, gelation is likely to inhibit phase separation.Comment: EURO-LATEX, 6 pages, 2 figure

Resummed thermodynamic perturbation theory for bond cooperativity in associating fluids with small bond angles: Effects of steric hindrance and ring formation

In this paper we develop a thermodynamic perturbation theory for two site associating fluids which exhibit bond cooperativity. We include both steric hindrance and ring formation such that the equation of state is bond angle dependent. Here the bond angle is the angle separating the centers of the two association sites. As a test, new Monte Carlo simulations are performed, and the theory is found to accurately predict the internal energy as well as the distribution of associated clusters as a function of bond angle and bond cooperativity.Comment: To appear in The Journal of Chemical Physic

On Restricting to One Loop Order the Radiative Effects in Quantum Gravity

The dimensionful nature of the coupling in the Einstein-Hilbert action in four dimensions implies that the theory is non-renormalizable; explicit calculation shows that beginning at two loop order, divergences arise that cannot be removed by renormalization without introducing new terms in the classical action. It has been shown that, by use of a Lagrange multiplier field to ensure that the classical equation of motion is satisfied in the path integral, radiative effects can be restricted to one loop order. We show that by use of such Lagrange multiplier fields, the Einstein-Hilbert action can be quantized without the occurrence of non-renormalizable divergences. We then apply this mechanism to a model in which there is in addition to the Einstein-Hilbert action, a fully covariant action for a self-interacting scalar field coupled to the metric. It proves possible to restrict loop diagrams involving internal lines involving the metric to one-loop order; diagrams in which the scalar field propagates occur at arbitrary high order in the loop expansion. This model also can be shown to be renormalizable. Incorporating spinor and vector fields in the same way as scalar fields is feasible, and so a fully covariant Standard Model with a dynamical metric field can also be shown to be renormalizableComment: 8 pages. This version contains more background materia

A Generalization of Metropolis and Heat-Bath Sampling for Monte Carlo Simulations

For a wide class of applications of the Monte Carlo method, we describe a general sampling methodology that is guaranteed to converge to a specified equilibrium distribution function. The method is distinct from that of Metropolis in that it is sometimes possible to arrange for unconditional acceptance of trial moves. It involves sampling states in a local region of phase space with probability equal to, in the first approximation, the square root of the desired global probability density function. The validity of this choice is derived from the Chapman-Kolmogorov equation, and the utility of the method is illustrated by a prototypical numerical experiment.Comment: RevTeX, 7 pages, 2 table

Constructing quantum vertex algebras

This is a sequel to \cite{li-qva}. In this paper, we focus on the construction of quantum vertex algebras over \C, whose notion was formulated in \cite{li-qva} with Etingof and Kazhdan's notion of quantum vertex operator algebra (over \C[[h]]) as one of the main motivations. As one of the main steps in constructing quantum vertex algebras, we prove that every countable-dimensional nonlocal (namely noncommutative) vertex algebra over \C, which either is irreducible or has a basis of PBW type, is nondegenerate in the sense of Etingof and Kazhdan. Using this result, we establish the nondegeneracy of better known vertex operator algebras and some nonlocal vertex algebras. We then construct a family of quantum vertex algebras closely related to Zamolodchikov-Faddeev algebras.Comment: 37 page

Vapor-liquid surface tension of strong short-range Yukawa fluid

The thermodynamic properties of strong short-range attractive Yukawa fluids, k=10, 9, 8, and 7, are determined by combining the slab technique with the standard and the replica exchange Monte Carlo (REMC) methods. A good agreement was found among the coexistence curves of these systems calculated by REMC and those previously reported in the literature. However, REMC allows exploring the coexistence at lower temperatures, where dynamics turns glassy. To obtain the surface tension we employed, for both methods, a procedure that yields the pressure tensor components for discontinuous potentials. The surface tension results obtained by the standard MC and REMC techniques are in good agreement.Comment: 6 pages, 4 figure