fuellib.gcm.gani

Gani-Constantinou and extended group contribution parameters.

Functions

Cp_B	Predict the molar heat capacity B correction (Cp_B) for a fuel's components.
Cp_C	Predict the molar heat capacity C correction (Cp_C) for a fuel's components.
Cp_stp	Predict the standard molar heat capacity at STP (Cp_stp) for a fuel's components.
Gf	Predict the Gibbs free energy of formation (Gf) for a fuel's components.
Hf	Predict the standard enthalpy of formation (Hf) for a fuel's components.
Hv_stp	Predict the enthalpy of vaporization at STP (Hv_stp) for a fuel's components.
Pc	Predict the critical pressure (Pc) for a fuel's components.
Tb	Predict the normal boiling temperature (Tb) for a fuel's components.
Tc	Predict the critical temperature (Tc) for a fuel's components.
Tm	Predict the melting temperature (Tm) for a fuel's components.
Vc	Predict the critical volume (Vc) for a fuel's components.
Vm_stp	Predict the standard molar volume at STP (Vm_stp) for a fuel's components.
alibakhshi_phi	Predict the Alibakhshi phi parameter for a fuel's components.
decompose	Decompose a molecule into first and second order groups based on SMARTS patterns.
omega	Predict the acentric factor (omega) for a fuel's components.
rd_A	Predict the RD liquid heat-capacity coefficient A (rd_A) for a fuel's components.
rd_B	Predict the RD liquid heat-capacity coefficient B (rd_B) for a fuel's components.
rd_D	Predict the RD liquid heat-capacity coefficient D (rd_D) for a fuel's components.