TABLE 2.

Symbols are N_u, number of urea molecules, and N_w, number of water molecules

	Nu	Nw	Mole fraction	Molality	Molarity	Volume	Density
OPLS	1	1305	0.0007657	0.04253	0.04288	38.73	1.011
	47	1188	0.03806	2.196	2.029	38.47	1.046
	95	1077	0.08106	4.896	4.089	38.58	1.081
	142	955	0.1294	8.254	6.152	38.32	1.115
	189	838	0.1840	12.52	8.209	38.23	1.149
	248	661	0.2728	20.83	11.04	37.31	1.193
	530	0	1.0	—	22.65	38.85	1.361
KBFF	1	1305	0.0007657	0.04253	0.04286	38.75	1.010
	47	1188	0.03806	2.196	2.013	38.78	1.037
	95	1077	0.08106	4.896	4.027	39.17	1.064
	142	955	0.1294	8.254	6.031	39.10	1.093
	189	838	0.1840	12.52	7.993	39.27	1.118
	248	661	0.2728	20.83	10.70	38.50	1.156
	530	0	1.0	—	22.41	39.27	1.346

The units of molality, molarity, volume, and density are (mol/kg), (mol/L), (nm³), and (g/cm³) respectively.