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. 2023 Apr 21;11(18):7157–7169. doi: 10.1021/acssuschemeng.3c00547

Table 1. Uncertain Model Parameters, Uncertainty Sources, and Ranges in Flowsheet Simulation of [BMIM][BF4] Productiona.

Type Parameter Range Units
Operating condition ΔPRb 10 ± 50% kPa
ΔPWb 10 ± 50% kPa
TVFc 80 ± 20% °C
PVFb 10 ± 50% kPa
PURb 0.1 ± 50% -
       
Thermophysical property ρ[BMIM][BF4]d 1208 ± 19% kg m–3
ρ[BMIM][Cl]d 1080 ± 19% kg m–3
ΔHf[BMIM][BF4]e –6.50 ± 1.59 × 105 kJ kmol–1
ΔHf[BMIM][Cl]e –2.37 ± 1.59 × 105 kJ kmol–1
a

Each uncertain parameter is assumed to follow a triangular distribution.

b

Estimate based on heuristics.

c

Mean value based on an optimized base case.

d

Estimate based on the group contribution methods developed by Valderrama and Rojas55 with maximum standard deviation of 19%.

e

Estimate based on the lattice energy and computational chemistry methods proposed by Gao et al.59 with maximum deviation of −159 kJ mol–1.