HySS2009

Hyperquad Simulation and Speciation

HySS is a program that can be used to perform 2 distinct functions.

• Titration simulation. A model is specified by defining a set of equilibrium constants
  b_pq.. = [A_pB_q..]/([A]^p[[B]^q..)
  A titration is simulated by specifying a set of titration conditions and calculating the concentrations of each complex species as the titration proceeds. The results are shown graphically.
• Calculation of species' concentrations. This requires a model and a set of conditions such as a pH range. Again the result is a plot of concentrations, as above.

For details concerning the algorithm, etc. see L. Alderighi , P. Gans, A. Ienco , D. Peters, A. Sabatini and A. Vacca, "Hyperquad simulation and speciation (HySS): a utility program for the investigation of equilibria involving soluble and partially soluble species", Coordination Chemistry Reviews, 184 (1999) 311-318. (requires Acrobat reader)

The plots produced by HySS are designed to be suitable for publication. Corresponding to the plots there is also the possibility of producing tables of concentrations that can be used, for example, in a program like Excel or Origin to produce customized plots.

2009.The program may be downloaded, free of charge. Download and save the HySS2009 installation file (8.2MB) Install HySS2009.EXE . Run it to install the software.

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