Freezing water simulations in isochoric systems – preliminary analysis

Abstract

Freezing liquids into ice is a complex simulation and is called a phase transformation or phase change. Isochoric (constant volume) preservation is a new thermodynamic concept that takes advantage of an until now ignored aspect of thermodynamics, life under conditions of constant volume as opposed to the conventionally studied life conditions of constant pressure. Isochoric system are simple constant volume devices, made of steel, capable of withstanding the pressures that develop in the system, with minimal deformation. Because ice-I is less dense than water, the formation of an ice nucleus in an isochoric (constant volume) chamber will cause an increase in pressure. Traditionally, ice formation is performed in an isobaric process (constant pressure) at 1 atm, because this is our natural environment and it is most convenient experimentally. The goal of this study is to introduce the fundamental thermodynamic principles and boundary conditions of isochoric (constant volume) simulations at low temperatures. In this analysis we intend to shows that homogeneous ice nucleation can be thermodynamically improbable in an isochoric system.