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ThermophysicalData[Chemicals]

  

GetSpecies

  

return the chemicals known to ThermophysicalData:-Chemicals

 

Calling Sequence

Parameters

Description

Examples

References

Compatibility

Calling Sequence

GetSpecies(opt)

Parameters

opt

-

(optional) the option speciesnames=t where t is default or original

Description

• 

The GetSpecies command returns a list containing the chemical names known to the ThermophysicalData:-Chemicals package.

• 

These can be used with the ThermophysicalData:-Chemicals:-Property command to get thermodynamic data.

• 

If the speciesnames=original option is provided, then the original names, as defined in the data source McBride et al. 20002, are returned instead of the default names.

Examples

> 

with⁡ThermophysicalData:-Chemicals:

Chemicals known to ThermophysicalData:-Chemicals

> 

species≔GetSpecies⁡:

The subpackage is aware of over 2000 chemicals

> 

nops⁡species

2073

(1)

The first ten chemical names

> 

species1..10

e-(g),Ag(g),Ag+(g),Ag-(g),Al(g),Al+(g),Al-(g),AlBr(g),AlBr2(g),AlBr3(g)

(2)

An empirical correlation for the molar enthalpy of elemental nitrogen at standard conditions

> 

Property⁡Hmolar,species10,temperature=t,explicit

8.314510⁢t⁢−47189.48840t2−1053.853163⁢ln⁡tt+13.50747168−0.003319934965⁢t+2.423092277×10−6⁢t2−1.069512372×10−9⁢t3+2.091146562×10−13⁢t4−46994.40330t200.000≤t≤1000.00089355.27440t2−26.78035134⁢ln⁡tt+10.02063997−4.229382200×10−6⁢t+6.347477723×10−10⁢t2−5.537989462×10−14⁢t3+2.076438778×10−18⁢t4−52492.47640t1000.000<t≤6000.000undefinedotherwise

(3)

Determine the molecular weight of CO2 with and without units

> 

Property⁡MolarMass&comma;CO2

44.0095000

(4)
> 

Property⁡MolarMass&comma;CO2&comma;useunits

44.0095000⁢gmol

(5)

Return an empirical correlation for the molar enthalpy of CO2

> 

Property⁡Hmolar&comma;CO2&comma;temperature=T&comma;explicit

8.314510⁢T⁢−49436.50540T2−626.4116010⁢ln⁡TT+5.301725240+0.001251906908⁢T−7.091029093×10−8⁢T2−1.922497195×10−10⁢T3+5.699355602×10−14⁢T4−45281.98460T200.000≤T≤1000.000−117696.2419T2−1788.791477⁢ln⁡TT+8.291523190−0.00004611578390⁢T+1.621225627×10−9⁢T2−4.727633280×10−13⁢T3+1.266007318×10−16⁢T4−39083.50590T1000.000<T≤6000.0001.544423287×109T2+1.016847056×106⁢ln⁡TT−256.1405230+0.01684700540⁢T−7.270614457×10−7⁢T2+1.747855210×10−11⁢T3−1.768470300×10−16⁢T4−8.043214510×106T6000.000<T≤20000.000undefinedotherwise

(6)

Backsolve for a temperature, given an enthalpy

> 

fsolve⁡Property⁡Hmolar&comma;CO2&comma;temperature=T=−393811.1213⁢Unit⁡Jmol&comma;T=280⁢Unit⁡K

289.9999991⁢K

(7)

References

  

McBride, Bonnie J.; Zehe, Michael J.; and Gordon, Sanford. NASA Glenn Coefficients for Calculating Thermodynamic Properties of Individual Species; 2002; https://www.grc.nasa.gov/WWW/CEAWeb/TP-2002-21556.htm (6 Dec 2017)

Compatibility

• 

The ThermophysicalData:-Chemicals:-GetSpecies command was introduced in Maple 2018.

• 

For more information on Maple 2018 changes, see Updates in Maple 2018.

See Also

ThermophysicalData

ThermophysicalData/Chemicals/ChemicalNames

ThermophysicalData:-Chemicals

ThermophysicalData:-Chemicals:-Property