sandlerchemeq.component

class Component[source]

Bases: Compound

A chemical component with thermochemical and system properties based on the Compound class of sandlerprops.

T: Quantity

Temperature

P: Quantity

Pressure

Tref: Quantity

Reference temperature

classmethod from_compound(compound, **kwargs)[source]

Create a Component instance from a Compound instance

Parameters:

compound (Compound) – An instance of the Compound class

Returns:

component – An instance of the Component class

Return type:

Component

Cp_polynomial_as_tex()[source]

Returns a LaTeX-formatted string for the compound’s heat capacity polynomial

Returns:

retstr – LaTeX formatted heat capacity polynomial string

Return type:

str

CpInt_polynomial_as_tex()[source]

Returns a LaTeX-formatted string for the integral of the compound’s heat capacity polynomial

Returns:

retstr – LaTeX formatted integral of heat capacity polynomial string

Return type:

str

property dGf_T: Quantity

Ideal-gas Gibbs energy of formation at temperature T

__eq__(other)[source]

Compounds are equal if their empirical formulas are identical

Parameters:

other (Compound)

__hash__()[source]

Hash based on object id

__init__(No=0, Formula='', Name='', Molwt=<factory>, Tfp=<factory>, Tb=<factory>, Tc=<factory>, Pc=<factory>, Vc=<factory>, Zc=0.0, Omega=0.0, Dipm=<factory>, CpA=0.0, CpB=0.0, CpC=0.0, CpD=0.0, dHf=<factory>, dGf=<factory>, Eq=0, VpA=0.0, VpB=0.0, VpC=0.0, VpD=0.0, Tmin=<factory>, Tmax=<factory>, Lden=0.0, Tden=<factory>, charge=0, atomset=<factory>, atomdict=<factory>, metadata=<factory>, T=<factory>, P=<factory>, Tref=<factory>)
Parameters:
Return type:

None

countAtoms(a)[source]

Returns the count of atom a in the compound

Parameters:

a (str) – atom name

Returns:

count – Number of atoms of type a in the compound

Return type:

int