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Facultad de Ciencias
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Mestrado Universitario en Ciencias. Tecnoloxías e Xestión Ambiental (plan 2012)
  Chemical Speciation and Computation
Topic Sub-topic
Chapter 1. Modeling of chemical equilibrium in natural waters Main composition of natural water. Approach problem solving of chemical equilibrium: general methodology. Mass balances. Electro-neutrality condition.
Chapter 2. Ionic interactions in natural waters Models of interaction: ionic association versus physical interaction. Models of activity coefficient of widely use in oceanography, geochemistry etc.. Surface complexation models.
Chapter 3. Examples: Acid-base, complexation, solubility and redox equilibria Application of the general methodology for calculating speciation in the system CO2/H2O/calcite. Redox reactions and speciation. Other examples.
Chapter 4. Speciation and toxicity The model of free ion activity. The biotic ligand model. The distribution coefficient octanol / water. Other models.
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