def uc(gf, pmv, t): """Return universal correction.""" gf = float(gf) pmv = float(pmv) t = float(t) density = water.concentration(t)*6.0221413E-4 #molecules / A^3 return gf - 3.2217*density*pmv + 0.5783 #kcal/mol
def gamma_cor(integral, T, gamma=0.38): t = float(T) density = water.concentration(t)*6.0221413E-4 #molecules / A^3 R = 1.9872041E-3 #kcal/K/Mol return R*t*density/2*integral*(1-gamma)