JCE Online Journal of Chemical EducationDivision of Chemical Education, American Chemical SocietyAmerican Chemical Society
 | Subscriptions  | Software Orders  | Support  | Contributors  | Advertisers  | 

JCE Print

JCE Digital Library

JCE Software

Only@JCE Online

About JCE


  Home > JCE Print > Journal of Chemical Education > Issues > 2006  > January  >
Information • Textbooks • Media • Resources
JCE WebWare: Web-Based Learning Aids
Computer Simulations of Salt Solubility
Victor M. S. Gil
Department of Chemistry, University of Coimbra, Portugal

João C. M. Paiva
Department of Chemistry, University of Porto, Portugal

Cover
January 2006
Vol. 83 No. 1
p. 173

Abstract
Computer Simulations of Salt Solubility provides an animated, visual interpretation of the different solubilities of related salts based on simple entropy changes associated with dissolution: configurational disorder and thermal disorder. This animation can also help improve students’ conceptual understanding of chemical equilibrium before any quantitative interpretation of equilibrium constants is attempted.

The animation compares pairs of compounds chosen according to the following criteria. Paired together are:

  • Familiar salts of very different solubility
  • Salts of similar packing structures
  • Salts whose solubility is either not significantly affected by ion reaction with water (such as acid–base and complex formation reactions), or affected in a way that opposes the observed solubility differences
  • Salts that essentially require discussion of only configurational disorder or only thermal disorder

The pairs chosen for these animations are NaCl/CaCO3 and MgCO3/MgSO4. In the former case, both dissolution phenomena are almost athermic, hence the major differences are in configurational disorder and solvation effects. In the latter pair, the major difference lies in thermal disorder, as the dissolution of magnesium sulfate is quite exothermic.

The program simulates the “before” and the “after” states for the dissolution of equal amounts of the two salts of each pair in identical amounts of water. Changes in total entropy and in its components are represented qualitatively in bar graphs.

In the case of NaCl versus CaCO3, the animation illustrates that the small solubility of CaCO3 in water is due to the decreased mobility of the water molecules associated with the small, dipositive calcium ion. This decrease results in a decrease in total entropy upon dissolution of calcium carbonate, and thus the amount dissolved is very small. On the other hand, the dissolution of NaCl is substantial because it yields a gain in total entropy since there is not a similar decrease in motility.

Figure 1. A screenshot from Computer Simulations of Salt Solubility comparing the dissolution of NaCl and CaCO3.

For the pair MgCO3/MgSO4, where the solvation effects are similar, the increased thermal disorder of dissolved MgSO4 is illustrated by greater particle agitation. The dissolution of MgSO4 yields greater thermal entropy and particle movement, and thus it is much more soluble than MgCO3.

Figure 2. A still image from Computer Simulations of Salt Solubility of the animation comparing the dissolution of MgCO3 and MgSO4.

A word of reservation is due. First, the simulations are qualitative in nature, and no rigorous calculations of the contributions to entropy changes are illustrated. Also, when using these pictorial simulations, students should be alerted specially to the unrealistically small number of particles represented and the unrealistically large spaces between them, to the symbolic representation of ions and molecules, and to qualitative illustrations of only some molecular motions. In addition, exchange processes involving water molecules of the hydration sphere are not shown.

Supplement
You can find Computer Simulations of Salt Solubility in the peer-reviewed collection of JCE WebWare.
More Information
*  Citation
Gil, Victor M. S.; Paiva, João C. M. J. Chem. Educ. 2006 83 173.
*  Keywords
Computational Chemistry; Computer-Based Learning; Equilibrium; First-Year Undergraduate / General; Solutions / Solvents; Thermodynamics
*  History
Created:
Last Updated:
12/1/2005
12/7/2005
  Home > JCE Print > Journal of Chemical Education > Issues > 2006  > January  > Page 173


Subscriptions

JCE HS CLIC

Our Secondary School editors work hard to distill all the JCE materials to produce a fraction of particular interest to high school teachers. We call it CLIC.


Contributions Welcome
JCE welcomes your submission

Advertisers
In recent years we have worked hard to better match our advertisers with our readers. When shopping for chemistry education materials, visit our advertisers' WWW sites first.

Be An Ambassador
Take JCE along on your outreach missions. Copies of the Journal, guest access to JCE Online, our publications catalog, and more are available for your participants.