Electrochemistry from first-principles in the grand canonical ensemble

Grand canonical ensemble in generalized thermostatistics

We study the grand-canonical ensemble with a fluctuating number of degrees of freedom in the context of generalized thermostatistics. Several choices of grand-canonical entropy functional are considered. The ideal gas is taken as an example.

Thermodynamics of hydrogen vacancies in MgH2 from first-principles calculations and grand-canonical statistical mechanics

Two-Dimensional Dynamical Triangulation using the Grand-canonical Ensemble

by analytical theories [1,2], where h is the number of handles of the 2-dimensional surface, and c is the central charge of matter fields coupled to the surface. When the dynamical triangulation (DT) recipe [3] is adopted to generate random surfaces, it becomes possible to simulate the discretized 2dimensional gravity numerically. In order to measure the exponent γ with any topology, we introdu...

Schwarzschild black hole as a grand canonical ensemble

For long black holes have been considered as endowed with a definite temperature. Yet when the Schwarzschild black hole is treated as a canonical ensemble three problems arise: incompatibility with the Hawking radiation, divergence of the partition function, and a formally negative mean-square fluctuation of the energy. We solve all three problems by considering the Schwarzschild black hole as ...

Grand canonical ensemble simulation studies of polydisperse fluids

We describe a Monte Carlo scheme for simulating polydisperse fluids within the grand canonical ensemble. Given some polydisperse attribute σ, the state of the system is described by a density distribution ρ(σ) whose form is controlled by the imposed chemical potential distribution μ(σ). We detail how histogram extrapolation techniques can be employed to tune μ(σ) such as to traverse some partic...