Difference between revisions of "Reliability of estimation for density and viscosity"
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* In the MSE model, we systematically model densities for all systems that we are adding to the MSE databank. | * In the MSE model, we systematically model densities for all systems that we are adding to the MSE databank. | ||
| − | * MSE has some inherent characteristics that make it more suitable for reproducing densities. Most importantly, MSE reproduces the pure-component densities of components that may exist in a pure state under practically important conditions (e.g. various organics and inorganic neutral molecules). This constrains the prediction of mixture properties even when density data are not available for mixtures. | + | * '''MSE''' has some inherent characteristics that make it more suitable for reproducing densities. Most importantly, MSE reproduces the ''pure-component densities'' of components that may exist in a pure state under practically important conditions (e.g. various ''organics'' and ''inorganic'' neutral molecules). This constrains the prediction of mixture properties even when density data are not available for mixtures. |
| − | * In the AQ model, the density parameters reflect the state of the art of the 1990s. While the densities of dilute and moderately concentrated aqueous solutions are usually reasonably reproduced, extrapolation to higher concentrations may lead to errors. This is partly due to the fact that the AQ model does not have, by its nature, the constraints for the densities of pure molecular components that are built into MSE. | + | * In the '''AQ''' model, the density parameters reflect the state of the art of the '''1990s'''. While the densities of dilute and moderately concentrated aqueous solutions are usually reasonably reproduced, extrapolation to higher concentrations may lead to errors. This is partly due to the fact that the AQ model does not have, by its nature, the constraints for the densities of pure molecular components that are built into MSE. |
* Whenever possible, OLI recommends using the MSE model for predicting densities. | * Whenever possible, OLI recommends using the MSE model for predicting densities. | ||
Latest revision as of 13:58, 6 March 2015
- In the MSE model, we systematically model densities for all systems that we are adding to the MSE databank.
- MSE has some inherent characteristics that make it more suitable for reproducing densities. Most importantly, MSE reproduces the pure-component densities of components that may exist in a pure state under practically important conditions (e.g. various organics and inorganic neutral molecules). This constrains the prediction of mixture properties even when density data are not available for mixtures.
- In the AQ model, the density parameters reflect the state of the art of the 1990s. While the densities of dilute and moderately concentrated aqueous solutions are usually reasonably reproduced, extrapolation to higher concentrations may lead to errors. This is partly due to the fact that the AQ model does not have, by its nature, the constraints for the densities of pure molecular components that are built into MSE.
- Whenever possible, OLI recommends using the MSE model for predicting densities.
