Equation of State for Solid Carbon Dioxide Based on the Gibbs Free Energy

Abstract

In this work a fundamental equation of state explicit in the Gibbs free energy was established, which was fitted to experimental data (heat capacity, molar volume, expansion coefficient, and compressibility) of solid carbon dioxide. Almost all of the data that the equation was fitted to are represented within the experimental uncertainty given by the authors. However, only very limited data for the thermodynamic properties of solid carbon dioxide are available. The new equation behaves physically reasonably within its range of validity. Sublimation and melting pressures of dry ice are predicted accurately using Gibbs energies calculated from the new dry ice equation and from the fundamental equation by Span and Wagner for the fluid phase (J. Phys. Chem. Data 1996, 25, 1509À1596). The results agree with those of the reference equations for sublimation and melting pressure published by Span and Wagner mostly within the uncertainty given for these equations. The resulting sublimation and melting pressures are very sensitive to variations of the Gibbs energy. The use of another equation of state for the fluid phase has a significant impact on the calculated equilibrium pressures. It is shown that the equation for dry ice also might be used for the calculation of equilibria with dry ice in the solid phase and mixtures in the fluid phase.

High pressure CO 2 CCS pipelines: Comparing dispersion models with multiple experimental datasets

“…Previously, we modelled the solid phase using the DIPPR R Project 801 database 5 , academic access to which can be gained through the Knovel library 6 . We now use the Jäger and Span EoS (Jäger and Span, 2012) for solid CO 2 . Air is modelled by an ideal gas equation of state with γ a = 7/5.…”

“…Both currently use the Jäger and Span (2012) EoS in the solid phase and assume no solubility of impurity in the solid phase.…”

Comparison of numerical predictions with CO2 pipeline release datasets of relevance to carbon capture and storage applications

“…This composite approach has now been validated for free releases into air [10,11], as well as punctures [12] and ruptures [13] of buried pipelines. In an improvement over the method in [6], tables from the Jager and Span [14] equation of state for solid CO 2 are now employed in the solid phase instead of tables from the DIPPR database.…”

Advanced CO2 Dispersion Simulation Technology for Improved CCS Safety

“…For the calculation of solid state properties of CO 2 , the equation of state developed by Jäger and Span [6] has been applied. This equation is reported to be valid in the region from 0 MPa to 500 MPa and from 80 K to 300 K. It is formulated as a fundamental thermodynamic function for CO 2 explicit in the Gibbs free energy, and it is able to represent most of the available thermodynamic data for the CO 2 solid state within the uncertainty of the experimental data.…”