Table 1 Properties of solvents and electrolytes at 25 °C from experiments and MD simulations

From: High voltage electrolytes for lithium-ion batteries with micro-sized silicon anodes

Compounds

Diffusion coefficients (10−10 m2 s−1)

Boiling point (1 atm)

Viscosity (cP)

Density (g mL−1)

EC

248.0

Solid

Solid

EMC

110

0.65

1.01

FEC

1.27

210

3.85

1.41

FEMC

92

1.42

1.31

TTE

1.01

93.2

1.23

1.53

SL

0.88

285

solid

solid

Electrolytes

ionic conductivity (mS cm−1)

Li+transference number

Viscosity (cP)

Density (g mL−1)

EE

10.17

0.37

3.12

1.27

FFT

5.12

0.50

2.15

1.51

FST tested (MD)

3.93 (3.6-4.2)a

0.67 (0.59)

16.15 (16.8)

1.47 (1.42)

  1. Note: EE: 1 M LiPF6-EC-EMC (1:1 by volume); FFT: 1 M LiPF6-FEC-FEMC-TTE (2:6:2 by volume); FST: 1 M LiPF6-FEC-SL-TTE (2:6:2 by volume).
  2. aMD simulations predict conductivity of 3.6 mS cm−1 before finite simulation cell correction and 4.2 mS cm−1 after the finite simulation cell correction was applied.