molvol {marelac} | R Documentation |
Converts from liter to moles for a gas.
molvol(t = 25, P = 1.013253, species = c("ideal", "Ar", "CO2", "CS2", "CO", "CCl4", "Cl2", "C2H6S", "C2H5OH", "C6H5F", "CH3F", "CH4", "CH3OH", "C5H12", "C3H8", "H2O", "He", "H2", "HBr", "HCl", "H2S", "Hg", "Kr", "NH3", "Ne", "NO", "N2", "NO2", "N2O", "O2", "PH3", "SiH4", "SiF4", "SO2", "Xe"), quantity = 1, a = 0, b = 0)
t |
temperature, degrees C |
P |
True pressure, bar. |
species |
character vector with gasses whose molecular volume
should be estimated. if |
quantity |
mol of the gas. |
a |
Van der Waals constant a, a species-specific coefficient, dm^6*bar/mol^2. |
b |
Van der Waals constant b, a species-specific coefficient, dm^3/mol. |
volume of the gas, liter
The coefficients a and b are species-specific; values of 0 assume an ideal gas and in general give good estimates.
Use 1/molvol
to convert from liter to moles.
The default calculates the molar volume of an ideal gas
Karline Soetaert <karline.soetaert@nioz.nl>
The values of the van der Waals constants are from:
Weast RC (Ed.) 1972. Handbook of Chemistry and Physics (53rd Edn.), Cleveland:Chemical Rubber Co.
as found in: http://en.wikipedia.org/wiki/Van_der_Waals_constants_(data_page)
AtomicWeight
, molweight
,
redfield
#molecular volume of an ideal gas. molvol(species = "ideal", P = 1, t = 0) # 22.710 980 molvol(species = "ideal", P = 1, t = 25) # 24.789 598 plot(0:30, molvol(t = 0:30, species = NULL), xlab = "Temperature, dgC", ylab = "Molar volume") # molvol(a = 1.382, b = 0.03186, species = NULL, t = 0) molvol(t = 0, species = "O2") # the same but for all gasses molvol(t = 0) # table for different pressures molvol(P = 1:5, species = "O2") # the inverse function 1/molvol(species = "O2") # contour plot P <- seq(1, 100, by = 1) Temp <- seq(-5, 40, by = 1) Val <- outer(X = P, Y = Temp, FUN = function(X, Y) molvol(P = X, t = Y, species = "O2")) contour(P, Temp, Val, xlab = "pressure", ylab = "temperature", main = "molvol", nlevel = 20, log = "x", axes = FALSE) axis(1); axis(2); box()