Figure 2
Comparison between the MD simulation and the hard-spheres approximation method for CHI3 in cyclohexane. (a) Schematic diagram for the MD simulation. The transparent magenta lines represent interatomic distances between the iodine atom in CHI3 and carbon atoms in cyclohexane. (b) Schematic diagram for the hard-spheres approximation. (c) Comparison of the pair distribution functions, g(r), between iodine in CHI3 and carbon in cyclohexane from an MD simulation and the hard-spheres approximation. |