TABLE 3.

Chemical potential and its components for OPLS and KBFF model urea solutions using Eq. 37

Mole fraction					μA
OPLS
0.0007657	−41.31	0.87	−56.00	−55.13	−96.44
0.03806	−31.76	0.66	−56.40	−55.74	−87.49
0.08106	−30.02	0.33	−56.19	−55.86	−85.88
0.1294	−29.01	0.49	−56.56	−56.07	−85.08
0.1840	−28.29	0.040	−56.63	−56.59	−84.88
0.2728	−27.56	−0.63	−57.11	−57.73	−85.29
1.00	−25.78	−1.29	−56.43	−57.72	−83.50
KBFF
0.0007657	−41.31	2.14	−46.40	−44.26	−85.57
0.03806	−31.78	1.29	−45.57	−44.29	−76.06
0.08106	−30.06	0.38	−44.79	−44.41	−74.46
0.1294	−29.06	−0.27	−44.22	−44.49	−73.54
0.1840	−28.36	−1.16	−43.12	−44.28	−72.64
0.2728	−27.64	−2.44	−41.83	−44.28	−71.91
1.00	−25.80	−4.82	−37.40	−43.23	−69.03

The quantity consists of two terms, the vdW part and the electrostatic part plus becomes in Eq. 37. The quantity plus becomes the chemical potential μ_A. The units of chemical potential are (kJ/mol).