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CalebBell / thermo

Thermodynamics and Phase Equilibrium component of Chemical Engineering Design Library (ChEDL)
MIT License
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[bug] "bromine" resolves to wrong CAS #64

Closed alexchandel closed 3 years ago

alexchandel commented 3 years ago

Bromine's critical point is 588 K, 10.34 MPa. However the following returns None and None:

import thermo
b = thermo.chemical.Chemical('Bromine')
b.Tc
b.Pc

This is because Chemical('Bromine') seems to resolve to CAS 10097-32-2, the bromine radical. However the CAS number for dibromine is 7726-95-6.

The problem even exists in thermo's periodic table:

thermo.elements.element_list[35 - 1].CAS  # == '10097-32-2'

Please update this name resolution.

CalebBell commented 3 years ago

This data has migrated to the chemicals project, where the data has been fixed. The fix is available in thermo through the development version.