. 2019 Oct 24;123(46):9912–9921. doi: 10.1021/acs.jpcb.9b07916

Table 2. Parameters α and ϵ_ms Obtained by Fitting Equation 6 to ϵ(c) from the MD Simulations with the Different Force Fields (See 2.1) and the Experimental Data from Buchner et al.⁶⁰^,^a.

	α (M^–1)	ϵ_ms	ϵ_w	ϵ_w – ϵ_ms
CC	13.9 ± 0.4	18.9 ± 1.3	71.5 ± 1.9	52.6
BPCEAV	9.9 ± 0.5	9.1 ± 3.3	59.3 ± 1.3	50.2
MP	11.1 ± 0.4	17.4 ± 1.4	59.3 ± 1.3	41.9
MPS	9.3 ± 0.5	21.8 ± 2.1	59.3 ±1.3	37.5
expt.	11.7 ± 0.3	28.8 ± 2.1	78.3 ± 1.3	49.5

ϵ_w = ϵ(c = 0 M) is obtained directly from the simulations for pure water or the experimental value,⁵⁶ respectively, and used to calculate the relative decrement ϵ_w – ϵ_ms.

Table 2. Parameters α and ϵms Obtained by Fitting Equation 6 to ϵ(c) from the MD Simulations with the Different Force Fields (See 2.1) and the Experimental Data from Buchner et al.60,a.

Table 2. Parameters α and ϵ_ms Obtained by Fitting Equation 6 to ϵ(c) from the MD Simulations with the Different Force Fields (See 2.1) and the Experimental Data from Buchner et al.⁶⁰^,^a.