Thermodynamic State Calculator

A calculator designed for engineering professionals in Mechanical and Chemical Engineering industries. Validated against state-of-the-art commercial software. Temperature dependent property data set for 8 species - H2O, H2, N2, O2, CO2, Ar, CO and CH4, for accurate calculations.Building blocks available: Burner, Compressor, Expander, Cooler, Heater, Heat Exchanger, CPOX Reformer, SMR Reformer, Fuel Cells (molten carbonate, PEM and solid-oxide) and Water Dropout.User can daisy-chain these building blocks to create basic models.

Calculating thermodynamic properties in Cantera¶

One illustrative sample model included. The developer, Irfan Hussaini, has not provided details about its privacy practices and handling of data to Apple. For more information, see the developer’s privacy policy. The developer will be required to provide privacy details when they submit their next app update. Edit option$2.99. Modeling access$4.99. Remove ads$1.99. Some in‑app purchases, including subscriptions, may be shareable with your family group when Family Sharing is enabled.

Here, we describe how Cantera uses species and phase information to calculate thermodynamic properties. Thermodynamic properties typically depend on information at both the species and phase levels. The user must specify thermodynamic models for both levels, and these selections must be compatible with one another.

For instance: one cannot pair certain non-ideal species thermodyamic models with an ideal phase model. The user must specify a thermodynamic model for each species and provide inputs that inform how species properties are calculated. For example, the user specifies how the reference enthalpy and entropy values for each species are calcualted, as a function of temperature. The user also selects a phase model.

This model describes how the species interact with one another to determine phase properties and species specific properties, for a given thermodynamic state.

This includes general \(p\)-\(\hat{v}\)-\(T\) behavior (for example, calculate the phase pressure for a given molar volume, temperature, and chemical composition), as well as how species-specific properties, such as internal energy, entropy, and others depend on the state variables.

For a simple example: in the Ideal Gas model, one might use 7-parameter NASA polynomials to specify the species reference thermodynamic quantities.

These would be used to calculate the reference molar enthalpy \(\hat{h}_k^\circ(T)\) and entropy \(\hat{s}_k^\circ(T)\) for a given species \(k\) as a function of temperature \(T\).

See the NASA Polynomials Species Thermo entry for more information. At the phase level, the Ideal Gas Law provides the \(P\)-\(\hat{v}\)-\(T\) relationship.

The ideal gas law is an example of an equation of state. This is used, for example, to calculate the pressure as a function of molar volume \(\hat{v}\), and temperature, \(T\):. \begin{equation*}p = \frac{\overline{R}T}{\hat{v}}\end{equation*}.

where \(\overline{R}\) is the Universal Gas Constant. The Maxwell relations are used to derive other thermodynamic properties from the equation of state.

SubstanceMass, kgSpecific heat, J/kg*CInitial temperature, CFinal temperature, C
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