calcCOD is used to calculate the oxygen demand (“calculated oxygen demand”, or COD' as described by Rittmann and McCarty (2001)) of a compound.
Usage
calcCOD(form)
Arguments
form
a chemical formula, as a character vector, e.g., "C6H12O6" for glucose or "CH3COOH" for acetic acid, or c("C6H12O6", "CH3COOH") for both at once.
Not case-sensitive for single letter elements (see ‘Details’).
Value
A numeric vector with length equal to length of form with COD' in g of oxygen per g of compound.
Details
Based on Eqs. (2.2) and (2.3) in Rittmann and McCarty (2001) (p 128), but using molar mass calculated with molMass.
calcCOD is not case-sensitive as long as all elements have single letter abbreviations.
The function is vectorized.
References
Rittmann, B., McCarty, P. 2001 Environmental Biotechnology. McGraw-Hill.