. Author manuscript; available in PMC: 2020 Mar 28.

Published in final edited form as: J Phys Chem B. 2019 Mar 18;123(12):2697–2709. doi: 10.1021/acs.jpcb.8b12010

Table 5.

Comparisons with other phases

System	T (°C)	V_L	V_CH2	% free	r	V_CH3	% free	V_H	% free
DPPC Fluid^a	50	1232	28.0	37.9	2.09	58.5	58.6	328	23.8
Gel^b	20			31.2		52.6	54.0		24.5
Subgel²⁴	10	1144	25.3	27.5	2.08	42.5	43.1	331	28.2
Subgel^c	10			27.5		49.9	51.5		24.9
Crystal^d	10–15	1104	24.0	21.3	1.77	39.1	38.1	348	21.6
		1104	24.0		2.08			333
		1107	22.1		1.77			319
DOPC Fluid^a	40	1303	28.3	38.5	1.92	54.3	55.4	320	21.9
Alkanes Fluid^a	50		27.9	37.6	1.95	54.4	55.5
Crystal^e	28		23.6	26.3	1.77	41.8	42.1
Excluded			17.4		1.39	24.2		250

Fluid phase values are EXP-SIM entries from Table 4. Volumes are in Å³.

Nagle et al.⁴²

Using alternative values of r and V_H.

Pearson and Pascher⁴³ when constraining r and V_H as shown and water molecular volume to 30 Å³.

Using data for C₂₁H₄₄ from Schaerer et al.⁴⁴