A new analytical expression was derived for the chemical potential of a hard sphere dipole in hard sphere dipole fluid at infinite dilution of the solute using the mean spherical approximation (MSA). A set of Monte Carlo (MC) simulations has been carried out to investigate the scope of applicability of the derived equation. The mean reaction field (MRF) approach was used in our MC computations. Two different MC methods (Widom particle insertion and thermodynamic integration) were applied for obtaining the chemical potential change associated with the dipole creation at the solute particle to provide adequate accuracy of the MC simulations. Also, corresponding changes in the mean potential energy were calculated by direct method and by thermodynamic integration. The solvation energies have been obtained for the systems of dipolar hard spheres with reduced dipole moment 1.0 at the reduced densities 0.2, 0.5, and 0.8. Computations have been made for solute particles with the reduced dipole moment varied from 0.0 to 1.5 and the hard sphere diameter varied from 0.5 to 2.0. The variation of those quantities with the molecular parameters was analyzed and compared with the MSA equation and Kirkwood classical expressions. It was found that the MSA calculations agree relatively well with MC simulations at densities less than 0.5 and solute dipole moment less than 1.0.

使用平均球面近似（MSA），在溶质无限稀释的情况下，得出了硬球偶极子流体中硬球偶极子的化学势的新分析表达式。已经进行了一组蒙特卡洛（MC）仿真，以研究所导出方程的适用范围。在我们的MC计算中使用了平均反应场（MRF）方法。应用了两种不同的MC方法（Widom粒子插入和热力学积分）来获取与在溶质粒子上产生偶极子相关的化学势变化，以提供足够的MC模拟精度。同样，通过直接方法和热力学积分计算了平均势能的相应变化。对于偶极矩硬球系统，在密度为0.2、0.5和0.8的情况下，偶极矩为1.0时，其溶剂化能已经获得。已经对偶极矩减小的0.0至1.5的硬质颗粒直径范围为0.5至2.0的溶质颗粒进行了计算。分析了这些量随分子参数的变化，并与MSA方程和Kirkwood经典表达式进行了比较。发现在密度小于0.5和溶质偶极矩小于1.0时，MSA计算与MC模拟相对吻合。分析了这些量随分子参数的变化，并与MSA方程和Kirkwood经典表达式进行了比较。发现在密度小于0.5和溶质偶极矩小于1.0时，MSA计算与MC模拟相对吻合。分析了这些量随分子参数的变化，并与MSA方程和Kirkwood经典表达式进行了比较。发现在密度小于0.5和溶质偶极矩小于1.0时，MSA计算与MC模拟相对吻合。