Predicting Phase Diagram of the CaCl2-H2O Binary System from the BET Adsorption Isotherm
- ORNL
A recent publication in Fluid Phase Equilibria by Zeng (Zeng, Zhou et al. 2007) claimed remarkable accuracy in predicting the solubility of CaCl2-H2O solutions with the Brunaruer-Emett-Teller (BET) model parameters. Their approach necessarily requires prior knowledge of equilibrium water vapor pressures above saturated solutions as a function of temperature for the hydrates of CaCl2 that exist under those conditions. However, the intrinsic BET model does not require prior knowledge of such solubility data that the approach of (Zeng, Zhou et al. 2007) is dependent upon. This paper highlights the differences between the two approaches and covers a much wider range of compositions and temperatures than is done by (Zeng, Zhou et al. 2007). The statistical mechanical description of multilayer adsorption culminating in the BET adsorption isotherm for aqueous electrolytes as developed by Ally and Braunstein (Ally and Braunstein 1993) is used to predict the liquidus behavior of CaCl2-H2O across the entire composition range (from the melting point of pure water to the melting point of anhydrous calcium chloride), including possible metastable crystalline phases. The method requires as input the two BET parameters r, the statistically averaged number of adsorption sites and ε, the energy of adsorption of water in excess of the energy of condensation of pure water. Usually it suffices to keep r and ε constant, typically evaluated at 298.15 K, but in the case of CaCl2-H2O, it is found that both r and ε must be considered temperature dependent in order to predict the liquidus curve, eutectic and peritectic points with reasonable accuracy over the large temperature and compositional range for this binary system.
- Research Organization:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Building Technologies Research and Integration Center (BTRIC)
- Sponsoring Organization:
- USDOE Office of Energy Efficiency and Renewable Energy (EERE)
- DOE Contract Number:
- DE-AC05-00OR22725
- OSTI ID:
- 983812
- Journal Information:
- Fluid Phase Equilibria, Vol. 268, Issue 1-2; ISSN 0378-3812
- Country of Publication:
- United States
- Language:
- English
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