Molecular weights {GCDkit}R Documentation

Calculating molecular weights of oxides

Description

Calculates molecular weights for simple oxide formula(e).

Usage

molecularWeight(formula) 

Arguments

formula

a character vector with formula(e) of the oxide(s).

Details

So far only simple oxide formulae in form of AxOy (where x, y are optional indexes) can be handled. The atomic weights are stored in a file MW.data in the main directory. The atomic weights come from official CIAAW web site https://www.ciaaw.org.

Value

A list with items:

MW molecular weight(s)
x.atoms number(s) of atoms in the formula
x.oxygen number(s) of oxygens

Author(s)

Vojtěch Janoušek, vojtech.janousek@geology.cz and Vojtěch Erban, erban@sopky.cz

References

Commission on Isotopic Abundances and Atomic Weights (CIAAW) of the International Union of Pure and Applied Chemistry. Accessed on January 8, 2016, at https://www.ciaaw.org

Examples

    molecularWeight("SiO2")
    molecularWeight("SiO2")[[1]]

    MW["SiO2"]
    MW[major]
    mw["Si"]

    oxides<-c("SiO2","TiO2","Al2O3","Fe2O3","FeO")
    sapply(oxides,molecularWeight)

[Package GCDkit version 6.1 Index]