Table 1 Different descriptors and labels for the AI methods in ISMs application.
From: Materials discovery of ion-selective membranes using artificial intelligence
Membranes | Important descriptors | Optimized labels | Ref |
|---|---|---|---|
PET membranes | ∙ Nanochannel size ∙ Nanochannel thickness ∙ Driving forces ∙ pH ∙ Surface charge density | ✓ Ion transport rate ✓ Ion selectivity | |
ZIF-8 and UiO-66 membranes | ∙ Pore size ∙ pH ∙ Applied voltage ∙ MOF chemistry ∙ Ion dehydration mechanism | ✓ Ion transport rate ✓ Ion selectivity | |
Graphene-based membranes | ∙ Interlayer spacing ∙ Sieve size ∙ Membrane’s thickness ∙ Channel size ∙ Temperature | ✓ Ion transport rate ✓ Ion selectivity | |
2D-Vermiculite membranes | ∙ Angstrom-sized windows ∙ Nanometer-sized cavities ∙ Interlayer spacing ∙ Driving Forces ∙ pH | ✓ Ion transport rate ✓ Ion selectivity | |
PET membranes | ∙ Membrane surface charge ∙ Ion type ∙ pH ∙ Subnanometer Pore Size | ✓ Ion transport rate ✓ Ion selectivity | |
rGO-SDDS-rGO membranes | ∙ Channel dimension ∙ Functional groups ∙ Hydrated ion diameter ∙ Ion dehydration energy | ✓ Ion selectivity | |
Polyimide membranes | ∙ Surface charge ∙ Wettability ∙ Pore size | ✓ Ion conduction | |
MXene | ∙ Channel dimension ∙ Charge density ∙ Membrane thickness ∙ Hydration radius | ✓ Ion transport rate ✓ Ion selectivity |
