Abstract
Fluid inclusions and pore fluids seldomly contain pure fluids, i.e. single component, and the properties of these natural fluids must be investigated with complex equations of state for fluid mixtures. However, the properties of nearly-pure fluids can be modelled with equations of state for pure gas components, including an insignificant error. Occasionally, fluid inclusions are observed that can be modelled according to these considerations. The program “Pures” has been developed to calculate properties of pure gases: H2O, CO2, CH4, N2, C2H6, O2, NH3, CO, H2, D2O, Ar, C3H8, SO2, H2S, and He. These fluid components belong to the most abundant volatile species that are observed in fluid inclusions in quartz and other host minerals in rock. The thermodynamic properties of these fluids are calculated with highly accurate Helmholtz energy functions that cover both the liquid and vapour. Viscosity and surface tension are calculated with additional purely- and semi-empirical equations. Stand-alone applications can be operated in Macintosh-, Windows-, and Linux-based operated computer systems, and contain algorithms that are designed with BASIC language within the XOJO programming environment. A series of twelve self-instructive interfaces (modules) are leading the user through the complex calculation procedures. The modules include the calculation of pressure, temperature, molar volume, isochores, isotherms, fugacity, homogenization conditions, liquid-vapour equilibria, thermodynamic state properties, viscosity, and surface tension. Fluid densities in quartz-confined inclusions can be corrected for temperature- and pressure-dependent volume changes of the host crystal. Fluid modelling in the program “Pures” is not restricted to fluid inclusion research, and can also be applied to other research fields that involve a fluid phase. “Pures” is included in the software package FLUIDS.
Published Version
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a call