Computing SI and CCPP using spreadsheet programs

Lotus 1-2-3® worksheets for calculating the calcite saturation index (SI) and calcium carbonate precipitation potential of a water sample are described. A simplified worksheet illustrates the principles of the method, and a more complex worksheet suitable for modeling most potable water sources is briefly described. Both worksheets include ion pairing and adjustments of equilibrium constants for temperature and ionic strength. For several test cases with a wide range of temperature, alkalinity, pH, and calcium concentration, the worksheet SI values differed <1 percent from those computed by WATEQX. For water quality modeling, spreadsheets have several advantages compared with large equilibrium codes: flexible input and output, ease of maintaining the thermodynamic database, and relatively small memory and mass-storage requirements. Modeling of archived chemical data is possible through the combination of database management and computational capabilities of many commercially available programs. The worksheets can be obtained from the authors.

[1]  B. B. Owen,et al.  The Physical Chemistry of Electrolytic Solutions , 1963 .

[2]  James W. Ball,et al.  WATEQ3; a geochemical model with uranium added , 1981 .

[3]  James W. Ball,et al.  WATEQ4F - a personal computer Fortran translation of the geochemical model WATEQ2 with revised data base , 1987 .

[4]  D. G. Archer,et al.  The Dielectric Constant of Water and Debye‐Hückel Limiting Law Slopes , 1990 .

[5]  William J. Orvis,et al.  1-2-3 for scientists and engineers , 1987 .

[6]  Michael Schock,et al.  Plumbosolvency reduction by high pH and low carbonate- solubility relationships , 1983 .

[7]  Douglas T. Merrill,et al.  Errata: An evaluation of the calcium carbonate saturation indexes , 1983 .

[8]  James J. Morgan,et al.  Numerical method for computing equilibriums in aqueous chemical systems , 1972 .

[9]  T. Wigley Ion Pairing and Water Quality Measurements , 1971 .

[10]  P. B. Hostetler,et al.  The stability of the magnesium bicarbonate ion pair from 10 degrees to 90 degrees C , 1977 .

[11]  Michael R. Schock,et al.  Response of lead solubility to dissolved carbonate in drinking water , 1980 .

[12]  T. E. Larson,et al.  COMPLEXES AFFECTING THE SOLUBILITY OF CALCIUM CARBONATE IN WATER - PHASE I1 , 1973 .

[13]  J. J. Morgan,et al.  Fate of trace metals in Los Angeles County waste water discharge , 1975 .

[14]  G. W. Fleming,et al.  PHRQINPT--An Interactive Computer Program for Constructing Input Data Sets to the Geochemical Simulation Program PHREEQE , 1983 .

[15]  P.F.M. van Gaans,et al.  WATEQX—a restructured, generalized, and extended FORTRAN 77 computer code and database format for the WATEQ aqueous chemical model for element speciation and mineral saturation, for use on personal computers or mainframes , 1989 .

[16]  Michael R. Schock,et al.  The behavior of asbestos-cement pipe under various water quality conditions: Part 2, theoretical considerations , 1981 .

[17]  D. Langmuir,et al.  Dissociation constants of calcite and CaHC03+ from 0 to 50°C , 1974 .

[18]  B. Jones,et al.  WATEQF-A fortran IV version of WATEQ, A computer program for calculating chemical equilibrium of natural waters , 1976 .

[19]  L. N. Plummer,et al.  The solubilities of calcite, aragonite and vaterite in CO2-H2O solutions between 0 and 90°C, and an evaluation of the aqueous model for the system CaCO3-CO2-H2O , 1982 .

[20]  J. D. Rimstidt,et al.  The kinetics of silica-water reactions , 1980 .

[21]  C Fernando Cadena,et al.  The Calcium Carbonate Ion‐Pair as a Limit to Hardness Removal , 1974 .

[22]  Michael R. Schock Temperature and Ionic Strength Corrections to the Langelier Index—Revisited , 1984 .

[23]  W. F. Langelier Chemical Equilibria in Water Treatment , 1946 .

[24]  James W. Ball,et al.  A Comparison of Computerized Chemical Models for Equilibrium Calculations in Aqueous Systems , 1979 .

[25]  Robert L. Sanks,et al.  Corrosion Control by Deposition off CaCO3 Films: Part 3, A Practical Approach for Plant Operators , 2016 .