GetSpecies - Maple Help

ThermophysicalData[Chemicals]

 GetSpecies
 return the chemicals known to ThermophysicalData:-Chemicals

 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

 > $\mathrm{with}\left(\mathrm{ThermophysicalData}:-\mathrm{Chemicals}\right):$

Chemicals known to ThermophysicalData:-Chemicals

 > $\mathrm{species}≔\mathrm{GetSpecies}\left(\right):$

The subpackage is aware of over 2000 chemicals

 > $\mathrm{nops}\left(\mathrm{species}\right)$
 ${2084}$ (1)

The first ten chemical names

 > $\mathrm{species}\left[1..10\right]$
 $\left[{"e-\left(g\right)"}{,}{"Ag\left(g\right)"}{,}{"Ag+\left(g\right)"}{,}{"Ag-\left(g\right)"}{,}{"Al\left(g\right)"}{,}{"Al+\left(g\right)"}{,}{"Al-\left(g\right)"}{,}{"AlBr\left(g\right)"}{,}{"AlBr2\left(g\right)"}{,}{"AlBr3\left(g\right)"}\right]$ (2)

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

 > $\mathrm{Property}\left("Hmolar",\mathrm{species}\left[10\right],\mathrm{temperature}=t,\mathrm{explicit}\right)$
 ${8.314510}{}{t}{}\left(\left\{\begin{array}{cc}{-}\frac{{47189.48840}}{{{t}}^{{2}}}{-}\frac{{1053.853163}{}{\mathrm{ln}}{}\left({t}\right)}{{t}}{+}{13.50747168}{-}{0.003319934965}{}{t}{+}{2.423092277}{×}{{10}}^{{-6}}{}{{t}}^{{2}}{-}{1.069512372}{×}{{10}}^{{-9}}{}{{t}}^{{3}}{+}{2.091146562}{×}{{10}}^{{-13}}{}{{t}}^{{4}}{-}\frac{{46994.40330}}{{t}}& {200.000}{<}{t}{\le }{1000.000}\\ \frac{{89355.27440}}{{{t}}^{{2}}}{-}\frac{{26.78035134}{}{\mathrm{ln}}{}\left({t}\right)}{{t}}{+}{10.02063997}{-}{4.229382200}{×}{{10}}^{{-6}}{}{t}{+}{6.347477723}{×}{{10}}^{{-10}}{}{{t}}^{{2}}{-}{5.537989462}{×}{{10}}^{{-14}}{}{{t}}^{{3}}{+}{2.076438778}{×}{{10}}^{{-18}}{}{{t}}^{{4}}{-}\frac{{52492.47640}}{{t}}& {1000.000}{<}{t}{\le }{6000.000}\end{array}\right\\right)$ (3)

Determine the molecular weight of CO2 with and without units

 > $\mathrm{Property}\left(\mathrm{MolarMass},\mathrm{CO2}\right)$
 ${44.0095000}$ (4)
 > $\mathrm{Property}\left(\mathrm{MolarMass},\mathrm{CO2},\mathrm{useunits}\right)$
 ${44.0095000}{}⟦\frac{{g}}{{\mathrm{mol}}}⟧$ (5)

Return an empirical correlation for the molar enthalpy of CO2

 > $\mathrm{Property}\left("Hmolar","CO2","temperature"=T,\mathrm{explicit}\right)$
 ${8.314510}{}{T}{}\left(\left\{\begin{array}{cc}{-}\frac{{49436.50540}}{{{T}}^{{2}}}{-}\frac{{626.4116010}{}{\mathrm{ln}}{}\left({T}\right)}{{T}}{+}{5.301725240}{+}{0.001251906908}{}{T}{-}{7.091029093}{×}{{10}}^{{-8}}{}{{T}}^{{2}}{-}{1.922497195}{×}{{10}}^{{-10}}{}{{T}}^{{3}}{+}{5.699355602}{×}{{10}}^{{-14}}{}{{T}}^{{4}}{-}\frac{{45281.98460}}{{T}}& {200.000}{<}{T}{\le }{1000.000}\\ {-}\frac{{117696.2419}}{{{T}}^{{2}}}{-}\frac{{1788.791477}{}{\mathrm{ln}}{}\left({T}\right)}{{T}}{+}{8.291523190}{-}{0.00004611578390}{}{T}{+}{1.621225627}{×}{{10}}^{{-9}}{}{{T}}^{{2}}{-}{4.727633280}{×}{{10}}^{{-13}}{}{{T}}^{{3}}{+}{1.266007318}{×}{{10}}^{{-16}}{}{{T}}^{{4}}{-}\frac{{39083.50590}}{{T}}& {1000.000}{<}{T}{\le }{6000.000}\\ \frac{{1.544423287}{×}{{10}}^{{9}}}{{{T}}^{{2}}}{+}\frac{{1.016847056}{×}{{10}}^{{6}}{}{\mathrm{ln}}{}\left({T}\right)}{{T}}{-}{256.1405230}{+}{0.01684700540}{}{T}{-}{7.270614457}{×}{{10}}^{{-7}}{}{{T}}^{{2}}{+}{1.747855210}{×}{{10}}^{{-11}}{}{{T}}^{{3}}{-}{1.768470300}{×}{{10}}^{{-16}}{}{{T}}^{{4}}{-}\frac{{8.043214510}{×}{{10}}^{{6}}}{{T}}& {6000.000}{<}{T}{\le }{20000.000}\end{array}\right\\right)$ (6)

Backsolve for a temperature, given an enthalpy

 > $\mathrm{fsolve}\left(\mathrm{Property}\left("Hmolar","CO2","temperature"=T\right)=-393811.1213\mathrm{Unit}\left(\frac{J}{\mathrm{mol}}\right),T=280\mathrm{Unit}\left(K\right)\right)$
 ${289.9999991}{}⟦{K}⟧$ (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.

Compatibility

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