The effect of salt concentration on the structure of water in CaCl2 aqueous solutions

✍ Scribed by A.A Chialvo; J.M Simonson

• Publisher: Elsevier Science
• Year: 2004
• Tongue: English
• Weight: 209 KB
• Volume: 112
• Category: Article
• ISSN: 0167-7322
• DOI: 10.1016/j.molliq.2003.11.001

✦ Synopsis

The microstructure of water in aqueous CaCl solutions over a wide range of salt concentrations at Ts298 K is characterized 2 by molecular simulation to determine the effect of the ions on the structure of water. The structural results are subsequently used to test the validity of a recently proposed hypothesis, which equates the ion effect to a pressure or temperature effect on the structure of water in the aqueous solution. The simulation results indicate unequivocally that the changes of the water structure caused by the presence of ions in solution cannot be emulated as a pressure effect due to the local nature of such structure perturbation.