cMOF Evidence Base
Computational Modelling — Anionic metal-organic framework modified separator boosting efficient Li-ion transport

Measurement evidence

Computational Modelling

Anionic metal-organic framework modified separator boosting efficient Li-ion transport · Li J., Chen L., Wang F. et al. · Chemical Engineering Journal · 2023 · 138536

3 measurement groups · 27 results

Reported values remain attached to the sample, method, conditions, extraction quality and source location that produced them.

COMSOL Multiphysics 6.0 parameter table

Li|UIOSOL@PP|LFP COMSOL model · Model

Parameter set adapted from COMSOL Multiphysics 6.0 manual for 1D isothermal lithium-ion battery model; applies to Li|PP|LFP and Li|UIOSOL@PP|LFP models.

Temperature
298
Geometry
1D Li|separator|LFP model
Context
model parameter set for separator comparison
Measurement source
25 · Supporting Information · Table S3
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
COMSOL parameter DLi2.11e-09——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter Ds_pos1e-13——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter L_MOF9e-06——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter L_pos0.000174——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter L_sep5.2e-05——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter T298——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter brugg3.3——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter cl_01000——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter cl_ref1000——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter cs0_pos3900——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter cs_neg_ref14870——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter cs_pos_ref3900——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter csmax_pos22860——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter dlnfdlnc-1.03——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter epsilonsep0.87——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter epsl_pos0.63——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter epss_filler_pos0.073——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter epss_pos0.297——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter i0_pos_ref0.8——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter i0refLi0.965——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter i_1C6.8——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter k_pos9.642e-10——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter rp_pos8e-06——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter tplus PP0.31——SI Table
Exact Reported		25 · Supporting Information · Table S3
COMSOL parameter tplus UIOSOL@PPMarked as a best value within this paper0.82——SI Table
Exact Reported		25 · Supporting Information · Table S3

COMSOL Multiphysics 6.0 one-dimensional isothermal model

Li|PP|LFP COMSOL model · Model

Li|PP|LFP cell, 10C discharge, initial electrolyte concentration 1 M; key parameters from above results/Table S3.

Geometry
1D Li|separator|LFP model
Context
PP model control
Measurement source
2,22,25 · COMSOL Multiphysics Simulation · Fig. S20; Table S3
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Final anion concentration gradient with PP1.2 M at the end of discharge——Text
Exact Reported		6 · Result and discussion · Fig. 6d

COMSOL Multiphysics 6.0 one-dimensional isothermal model

Li|UIOSOL@PP|LFP COMSOL model · Model

Li|UIOSOL@PP|LFP cell, 10C discharge, initial electrolyte concentration 1 M; key parameters from above results/Table S3.

Geometry
1D Li|separator|LFP model
Context
target separator model
Measurement source
2,22,25 · COMSOL Multiphysics Simulation · Fig. S20; Table S3
PropertyReported valueNormalised valueUncertaintyOrigin and qualitySource
Final anion concentration gradient with UIOSOL@PPMarked as a best value within this paper0.8 M at the end of discharge——Text
Exact Reported		6 · Result and discussion · Fig. 6e