期刊
REVISTA BRASILEIRA DE CIENCIA DO SOLO
卷 39, 期 5, 页码 1395-1405出版社
SOC BRASILEIRA DE CIENCIA DO SOLO
DOI: 10.1590/01000683rbcs20140529
关键词
intrinsic equilibrium constants; Oxisol; FITEQL; Visual MINTEQ; chemical equilibrium software
类别
Intrinsic equilibrium constants for 22 representative Brazilian Oxisols were estimated from a cadmium adsorption experiment. Equilibrium constants were fitted to two surface complexation models: diffuse layer and constant capacitance. Intrinsic equilibrium constants were optimized by FITEQL and by hand calculation using Visual MINTEQ in sweep mode, and Excel spreadsheets. Data from both models were incorporated into Visual MINTEQ. Constants estimated by FITEQL and incorporated in Visual MINTEQ software failed to predict observed data accurately. However, FITEQL raw output data rendered good results when predicted values were directly compared with observed values, instead of incorporating the estimated constants into Visual MINTEQ. Intrinsic equilibrium constants optimized by hand calculation and incorporated in Visual MINTEQ reliably predicted Cd adsorption reactions on soil surfaces under changing environmental conditions.
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