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Liquids, Volume 2, Issue 1

2022 March - 4 articles

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Articles (4)

  • Article
  • Open Access
8 Citations
3,817 Views
11 Pages

An Ab Initio Investigation of the Hydration of Lead(II)

  • Cory C. Pye and
  • Champika Mahesh Gunasekara

3 March 2022

The structure of lead(II) is not well known in aqueous solution. The Hartree–Fock and second order Møller–Plesset levels of theory using the CEP, LANL2, and SDD effective core potentials in combination with their associated basis s...

  • Article
  • Open Access
18 Citations
13,299 Views
13 Pages

Hydrolysis of Al3+ in Aqueous Solutions: Experiments and Ab Initio Simulations

  • Fausta Giacobello,
  • Viviana Mollica-Nardo,
  • Claudia Foti,
  • Rosina Celeste Ponterio,
  • Franz Saija,
  • Sebastiano Trusso,
  • Jiri Sponer,
  • Giuseppe Cassone and
  • Ottavia Giuffrè

3 March 2022

An experimental and computational study on the hydrolysis of Al3+ in aqueous solutions is here reported. Speciation model and formation constants were determined by potentiometric titrations at T = 298.15 K, 0.1 ≤ I/mol L−1 ≤ 1 in aqueous...

  • Article
  • Open Access
3 Citations
3,886 Views
12 Pages

Experimental and Computational Study of the Properties of Imidazole Compounds with Branched and Cycloalkyl Substituents

  • Shuai Qian,
  • Patrick Mileski,
  • Adam C. Irvin,
  • Ademola Soyemi,
  • Tibor Szilvási and
  • Jason E. Bara

7 February 2022

N-functionalized imidazole compounds with linear alkyl groups have been widely utilized precursors for imidazolium ionic liquids (ILs) while the effects of branched and cycloalkyl substituents on properties of imidazole compounds have not been studie...

  • Article
  • Open Access
1 Citations
3,652 Views
13 Pages

Liquid-State Volumetric Properties of a Set of Alcohols with Up to Five Carbon Atoms

  • Beatriz Lorenzo,
  • José Aythami Yánez,
  • Juan Ortega,
  • Adriel Sosa and
  • Luis Fernández

4 January 2022

This work provides density data (~1300 values) of 14 alcohols with up to five carbon atoms at p ∈ [0.1–40] MPa and T ∈ [278–358] K. The information obtained is modeled with a convenient reformulation of the Tait equation from wh...

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Liquids - ISSN 2673-8015