SOIL CHEMICAL EQUILIBRIUM DATA FILE ******* (All data items are read free-field, blank-delimited) ************ **********************************************************************

**** ONE OF THE FOLLOWING FIVE CONDITIONS APPLY. SET THE FLAG TO 1 FOR THE CONDITION THAT APPLIES TO YOUR DATA. SET THE REMAINING FLAGS TO ZERO. 0 < Solution and exchangeable concentrations are in approximate equilibrium; CHEMEQ must calculate Gapon selectivity coefficients. 0 < Solution concentrations and selectivity coefficients are correct; CHEMEQ must calculate exchangeable cations. 0 < Selectivity coefficients are correct; CHEMEQ must adjust solution and exchangeable ions. 0 < Selectivity coefficients are correct, and extractable ions (exchangeable + solution) are listed; CHEMEQ must partition exchangeable and solution phases. (Enter 0's for exchangeable cations). 1 < No exchange phase. Solution speciation only. CEC will be ignored. ********************************************************************** ***** WATER CONTENT AND BULK DENSITY 0.64 < Volume fraction of water 1.5 < Bulk density (kg/dm3) ---- OR ---- (useful for saturated paste extracts) 0.0 < Soil:water mass ratio (overrides above if > 0) ----------------------------CALCITE AND GYPSUM 0.03 < pCO2 (atm) - remains constant; pH will vary. 0.00 < Mass fraction of calcite 0.00 < Mass fraction of gypsum 1.13e-8 < Solubility product: calcite .24e-4 < Solubility product: gypsum ******************************************************************* RECALCULATE COMPOSITION AT ANOTHER WATER CONTENT?: 1 < Yes (1); No (0) ----(The next four values are used only if 'Yes'; otherwise read but ignored). .03 < New pCO2 (bar) 1 < New water content 1.5 < New bulk density ---- OR ---0.0 < New soil:water mass ratio (if >0, overrides water content and bulk density) ******************************************************************* SOLUTION OR EXTRACTABLE IONS (note 1) Ca Mg Na K Cl SO4 OH+CO3+HCO3 (note 2) 3.33 2.06 2.08 0.31 3.38 2.89 1.51 < mmol/litre ******************************************************************* EXCHANGEABLE CATIONS (Set exchangeable cations to 0 if above are extractable) Ca Mg Na K CEC (set CEC to 0 if there is no exchange phase) 207 28 02 15 252 < mmol+/kg dry soil

******************************************************************* GAPON SELECTIVITY COEFFICIENTS (these values are read but ignored if CHEMEQ Mg/Ca Ca/Na Ca/K is to calculate selectivity coefficients) 1.000E+00 4.0 .1 ****************************************************************** ******************* End of data file ************************* Note 1: If these represent extractable ions then cations should exceed anions by an amount equivalent to the CEC, and the exchangeable cations should be set to 0. Note 2: Total alkalinity is assumed to be HCO3+OH+CO3 (mmol-/l) in solution. This value is used for checking initial charge balance and calculating CO2 exchange. The actual concentrations of CO3, HCO3 and OH in solution are estimated iteratively by adjusting the pH value until the charge balance is as near zero as possible, and will depend on pH, pCO2 and Ca levels. (Any initial charge imbalance is satisfied by a balancing anion, which will have a 'negative' concentration if it represents a cation).