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Estimation of pure component physical properties with only few data
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Using a computer to simulate and design chemical processes requires analytical expressions to access the main thermodynamic state variables (temperature, pressure...) and transport properties (viscosity, thermal conductivity and diffusion coefficient). Moreover, a major problem encountered in chemical engineering lies in fluid phase equilibria and enthalpies calculation for multi components systems. An efficient computation system is only able to provide reliable results when suitable models are available. Thus, an advanced system must be able to propose a lot of estimation methods and to integrate new methods easily. These methods are based on thermodynamic models which must be mainly selected in a concern of rigor, reliability and validity for a maximum number of pure components and mixtures.
Considering the importance of the pure component properties knowledge, several estimation methods have been implemented in the ProSim thermodynamic library in order to access to these properties even if no experimental data are available.
On the next graphs, some pure component properties estimation methods implemented in the ProSim software have been used in order to be compared with experimental values from literature for a polar compound, Triethylene Glycol (C6H14O4).
It is important to note that the only one intrinsic properties required by these methods were :
- Molar weight
- Chemical Formula
- Critical pressure
- Critical temperature
- Critical volume
- Normal boiling point
- Acentric factor
Other estimation methods, which can need more information about pure component, are available to predict pure component properties (see ComponentPlus user guide).
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