title: EOS calculations for hydrothermal diamond anvil cell operation.
abstract: The hydrothermal diamond anvil cell (HDAC) is an excellent tool for high-temperature, high-pressure (hydrothermal) experiments. For an accurate determination of pressure induced by a certain temperature in an isochoric sample chamber volume, an equation of state (EOS) of water can be used instead of direct measurement. This paper reviews the theoretic background and provides all needed equations for the application of EOS of water to HDAC experiments summarizing state-of-the-art knowledge and incorporating up-to-date thermodynamic data. The p-T conditions determined using the IAPWS-95 formulation for the thermodynamic properties of ordinary water are in agreement with values obtained from direct methods or other established EOS formulations. In particular, (1) the calculation of density through the (a) melting point or (b) homogenization method along with determining (2) pressure as a function of density and temperature or (3) density as a function of pressure and temperature is explained. As a new aspect in the context of HDAC operations, the critical influence of nucleation and a strategy to overcome this problem are discussed. Furthermore, we have derived new polynomial equations, which allow the direct calculation of the fluid phase's density from the melting temperature. These are implemented in a spreadsheet program, which is freely available for interested users.
authors.affiliation: Institute for Geoscience, Applied Mineralogy, Eberhard-Karls-Universitat Tubingen, D-72074 Tubingen, Germany. volker.presser@uni-tuebingen.de
authors.forename: Volker
authors.initials: V
authors.lastname: Presser
authors.forename: Martin
authors.initials: M
authors.lastname: Heiss
authors.forename: Klaus G
authors.initials: KG
authors.lastname: Nickel