Determination of the Lennardhyphen;Jones Parameters from Second Virial Coefficients Tabulation of the Second Virial Coefficient

摘要

Values ofB/(2pgr;Nsgr;3/3) to four decimal places as a function of thgr;/Tare computed from thgr;/T=0.20 to 1.00 for a Lennardhyphen;Jones (6, 12) potential. The equationB/(2pgr;Nsgr;3/3) = (thgr;/T)frac14;1.064ndash;3.602(thgr;/T) computes the tabulated values fairly well. Thus sgr; and thgr; can be determined from experimentalBvalues by plottingBTfrac14;against 1/Tand finding the slope and intercept of the best straight line through the points. For methane andnhyphen;butane this method gave parameters that computedBvalues agreeing with observed values within the experimental uncertainty.