Porosity — A 3D Cu-Naphthalene-Phosphonate Metal–Organic Framework with Ultra-High Electrical Conductivity

Measurement evidence

Porosity

A 3D Cu-Naphthalene-Phosphonate Metal–Organic Framework with Ultra-High Electrical Conductivity · Peeples C.A., Kober D., Schmitt F.-J. et al. · Advanced Functional Materials · 2021 · 2007294

1 measurement group · 4 results

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

Monte Carlo helium-accessible pore-volume simulation using RASPA and Widom insertion

Water-free TUB40 Monte Carlo pore-volume model · Model

100,000 random helium insertions into a water-free 3 x 4 x 4 TUB40 framework simulation cell; framework atoms fixed; UFF Lennard-Jones parameters and Lorentz-Berthelot mixing.

Atmosphere: Helium probe in simulation
Geometry: 3 x 4 x 4 replicated unit-cell model
Context: water-free TUB40 model
Measurement source: SI p.2 · Accessible pore volume calculation · Table S3

Property	Reported value	Normalised value	Uncertainty	Origin and quality	Source
Helium-accessible specific pore volumeMarked as a best value within this paper	0.032 cm3/g	0.032 cm3 g-1	—	Text Exact Reported	SI p.2 · Accessible pore volume calculation
Monte Carlo helium insertion count	100,000 random insertions	100000 insertions	—	Text Exact Reported	SI p.2 · Accessible pore volume calculation
Reported prior thermal stability	stable up till about 400 C	673.15 K	—	Text Approximate	main p.2, article p.2 · General Information
Void fraction	7% v/v void fraction	0.07 fraction	—	Text Exact Reported	SI p.2 · Accessible pore volume calculation