UnitfulMoles

This package provides a set of predefined conventional elemental mol units (like molC for moles of carbon) and a standardised method for defining custom mol units for the Julia language. It essentially extends the Unitful.jl package.

Conventional mol units

Units are available as u"molXX" for most of the elements of the periodic table (just replace XX with the element's symbol).

julia> using UnitfulMoles

julia> 3u"mmolFe" / 10u"molC"
0.3 mmolFe molC⁻¹

You can also directly load the iron mmol and carbon mol units via

julia> using UnitfulMoles: mmolFe, molC

julia> 3mmolFe / 10molC
0.3 mmolFe molC⁻¹

Molecular weight conversions

Molar weights are provided for free, so you can convert from moles to grams effortlessly with Unitful's uconvert function (or the |> symbol):

julia> using UnitfulMoles

julia> uconvert(u"g", 5u"mmolFe")
0.279225 g

julia> 200u"molC" |> u"kg"
2.4021999999999997 kg

Note:
Atomic weights taken from Atomic weights of the elements 2013 (IUPAC Technical Report) doi:10.1515/pac-2015-0305. Weights in g are provided with 5 digit precision, using "Conventional" weights where a range is provided instead of a specific value.

Compounds

And you can create custom compounds with the @compound macro:

julia> using UnitfulMoles, Unitful

julia> @compound H2O
molH₂O

julia> 10molH₂O |> u"g" # Molecular weight is calculated automatically!
180.15 g

julia> @compound CH₄ # subscripts work as well (and look nicer, too!)
molCH₄

julia> 1molCH₄ |> u"g"
16.043 g

Custom mol units

For custom mol units, the main command is the @mol macro:

julia> using UnitfulMoles, Unitful

julia> @mol A
molA

This allows for stoichiometric ratios to be expressed more naturally:

julia> @mol B
molB

julia> 0.5molA/molB
0.5 molA molB⁻¹

Custom molar weights

You can also assign a molar weight to the unit to allow conversion between mol and g:

julia> @mol Foo 14.0067
molFoo

julia> uconvert(u"g", 5molFoo)
70.0335 g

Compose and convert on the fly

You can use these macros in assignments:

julia> using UnitfulMoles, Unitful

julia> x = (100@compound CO2) / 25u"L"
4.0 molCO₂ L⁻¹

julia> x |> u"g/L"
176.036 g L⁻¹

C-mol and others

The @xmol macro creates fractional moles scaled to one mole of an element in a compound. The best example is the C-mole, which measure the amount of a compound relative to one mole of C:

julia> using UnitfulMoles

julia> @xmol C C₈H₁₀N₄O₂
C-molC₈H₁₀N₄O₂

julia> uconvert(molC₈H₁₀N₄O₂, 1CmolC₈H₁₀N₄O₂)
0.125 molC₈H₁₀N₄O₂

julia> uconvert(CmolC₈H₁₀N₄O₂, 1molC₈H₁₀N₄O₂)
8.0 C-molC₈H₁₀N₄O₂

julia> uconvert(u"g", 1CmolC₈H₁₀N₄O₂)
24.27425 gg

Use in a package

To use UnitfulMoles.jl in a package you will need to register your package with Unitful.jl, by adding this code in the main package module.

function __init__()\
    Unitful.register(YourPackageName)
end

Without this you will likely have errors with using e.g. a @compound you define in the package. See the Unitful docs for details.

rafaqz / UnitfulMoles.jl

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