コード例 #1
0
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
コード例 #2
0
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)