. Author manuscript; available in PMC: 2021 Jul 27.

Published in final edited form as: J Phys Chem B. 2021 Jun 17;125(25):6874–6888. doi: 10.1021/acs.jpcb.1c03559

Table 3.

Physical properties of DOPC bilayer and TG bulk from experiments, AA simulations, and CG simulations. Standard errors are given for the simulations that we performed.

		Exp.	AA	CG
DOPC bilayer
	APL [nm²]	0.674^a), 0.724^b)	0.70 ± 0.00	0.72 ± 0.00
	K_A [mN/m]	300^c)	251 ± 20, 290^d)	307 ± 9
	K_C [k_BT]	21.2^e)	29^d)	41 ± 1
TG bulk
	ρ [g/cm³]	0.8991^f)	0.90 ± 0.00^g)	0.90 ± 0.00
	β × 10⁻⁹ [m²/N]	N/A	0.88 ± 0.01^g)	2.33 ±0.07
	γ_wat [mN/m]^h)	32ⁱ⁾	32 ± 0^g)	38 ±0

^a)

ref⁹⁰

^b)

ref⁹¹

^c)

ref⁹²

^d)

ref¹²

^e)

ref⁹³

^f)

ref⁷⁴

^g)

Taken from the C36/LJ-PME-r simulations.

^h)

As it is an implicit CG model (no explicit solvent molecules), it is ambiguous to distinguish surface tension at the air interface and water interface. Specific to TG, those two values are comparable (see Fig.2)

ⁱ⁾

ref⁷⁵