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Research data for the paper: Adsorption Desalination and Cation Exchange of NaCl and CaCl2-water solutions in LTA zeolites

  • Arjen Smetsers (Creator)
  • Ana Martin-Calvo (Creator)
  • Sofia Calero (Creator)

Dataset

Description

Adsorption isotherms data of water in LTA zeolites (LTA_Si, NaLTA, CaLTA and NaCaLTA) with 0 Salt, 7 molecs/uc NaCl, 21 molecs/uc NaCl, 7 molecs/uc CaCl2, 21 molecs/uc CaCl2.

Water adsorption data in MFI zeolite for force field validation

Raw data of Radial Distribution Functions (RDFs) in NaLTA (LTA4A), NaCaLTA (LTA5A), CaLTA (LTACa), distances between structure (Oa), extra framework cations (NaCAT, CaCAT), salt cation (Na, Ca), and water (Ospce)

 
Date made available7 Oct 2024
PublisherZenodo

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