Teaching GuideTerm Faculty of Science |
Mestrado Universitario en Ciencias, Tecnoloxías e Xestión Ambiental (plan 2012) |
Subjects |
Chemical Speciation and Computation |
Contents |
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Identifying Data | 2022/23 | |||||||||||||
Subject | Chemical Speciation and Computation | Code | 610500015 | |||||||||||
Study programme |
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Descriptors | Cycle | Period | Year | Type | Credits | |||||||||
Official Master's Degree | 2nd four-month period |
First | Optional | 3 | ||||||||||
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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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