相关论文: McMillan-Mayer Theory of Solutions Revisited: Simp…
Mayer cluster expansion is an important tool in statistical physics to evaluate grand canonical partition functions. It has recently been applied to the Nekrasov instanton partition function of $\mathcal{N}=2$ 4d gauge theories. The…
The scaling and mass expansion (shortly 'sm-expansion') is a new axiom for causal perturbation theory, which is a stronger version of a frequently used renormalization condition in terms of Steinmann's scaling degree. If one quantizes the…
We determine the second, third, and fourth virial coefficients appearing in the density expansion of the osmotic pressure of a monodisperse polymer solution in good-solvent conditions. Using the expected large-concentration behavior, we…
This paper organizes McMillan-Mayer theory, the potential distribution approach, and quasi-chemical theory to provide theory for the thermodynamic effects associated with longer spatial scales involving longer time scales, thus helping to…
Molecular dynamics simulations are typically constrained to have a fixed number of particles, which limits our capability to simulate chemical and physical processes where the composition of the system changes during the simulation time.…
A classical density functional theory is applied to study solvation of solutes in water. An approx- imate form of the excess functional is proposed for water. This functional requires the knowledge of pure solvent direct correlation…
We show that a general density functional approach for calculating the force between two big particles immersed in a solvent of smaller ones can describe systems that exhibit fluid-fluid phase separation: the theory captures effects of…
For the problem of molecular solvation, formulated as a liquid submitted to the external potential field created by a molecular solute of arbitrary shape dissolved in that solvent, we draw a connection between the Gaussian field theory…
Inferring properties of macroscopic solutions from molecular simulations is complicated by the limited size of systems that can be feasibly examined with a computer. When long-ranged electrostatic interactions are involved, the resulting…
The aim of this paper is to introduce a new technique for calculation of observables, in particular multiplicity distributions, in various statistical ensembles at finite volume. The method is based on Fourier analysis of the grand…
For one-dimensional linear kinetic equations analytical solutions of problems about moderately strong evaporation (condensation), when frequency of collisions of molecules is constant, are received . The equation and distribution function…
We propose a generalisation of molecular density functional theory to describe inhomogeneous solvent mixture, with the objective of modelling electrolytic solutions. Two electrolytic models are presented, both within the HNC approximation.…
We recently proposed a method coupling quantum mechanics (QM) methods and molecular density functional theory (MDFT) to describe mixed quantum-classical systems [J. Chem. Phys. 161, 014113 (2024)]. This approach is particularly appropriate…
Conventional derivations of phase boundaries from the Clausius-Clapeyron (CC) relation often employ the constant latent heat approximation to maintain analytical functions of the sublimation and boiling curves. To address the complex…
We introduce a general result relating "short averages" of a multiplicative function to "long averages" which are well understood. This result has several consequences. First, for the M\"obius function we show that there are cancellations…
After the pioneering work by Giovangigli on mathematics of multicomponent flows, several attempts were made to introduce global weak solutions for the PDEs describing the dynamics of fluid mixtures. While the incompressible case with…
Molecular Density Functional Theory (MDFT) offers an efficient implicit- solvent method to estimate molecule solvation free-energies whereas conserving a fully molecular representation of the solvent. Even within a second order ap-…
We consider a system of nonlinear equations that extends the Maxwell theory. It was pointed out in a previous paper that symmetric solutions of these equations display properties characteristic of magnetic oscillations. In this paper I…
In this paper we study the continuous coagulation and multiple fragmentation equation for the mean-field description of a system of particles taking into account the combined effect of the coagulation and the fragmentation processes in…
We study, in finite volume, a grand canonical version of the McKean-Vlasov equation where the total particle content is allowed to vary. The dynamics is anticipated to minimize an appropriate grand canonical free energy; we make this notion…