Centre for Theoretical Chemistry and Physics, The New Zealand Institute for Advanced Study, Massey University Albany, Private Bag 102904, Auckland 0745, New Zealand.
J Chem Phys. 2013 Feb 21;138(7):071105. doi: 10.1063/1.4792371.
The Joule-Thomson coefficient μ(H)(P, T) is computed from the virial equation of state up to seventh-order for argon obtained from accurate ab initio data. Higher-order corrections become increasingly more important to fit the low-temperature and low-pressure regime and to avoid the early onset of divergence in the Joule-Thomson inversion curve. Good agreement with experiment is obtained for temperatures T > 250 K. The results also illustrate the limitations of the virial equation in regions close to the critical temperature.
从准确的从头算数据获得的氩的第七阶范德华状态方程计算焦耳-汤姆逊系数μ(H)(P, T)。为了拟合低温低压区并避免焦耳-汤姆逊反演曲线过早发散，高阶修正变得越来越重要。在 T > 250 K 的温度下，与实验结果吻合良好。结果还说明了在接近临界温度的区域，范德华方程的局限性。
