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Goldschmidt Conference in Paris, Session Geochem ... (No replies)

gaigeot
7 years ago
gaigeot 7 years ago

Dear Colleagues,

We would like to draw your attention to session 13h that we organize at this year’s Goldschmidt conference in Paris (August 13­18, 2017)  https://goldschmidt.info/2017/

The title of the session is Geochemistry of contaminants on solid/solution interfaces: Experiment and Computation. The session description is given below. We are happy to have Tjisse Hiemstra as our keynote speaker, and Sylvie Roke (EPFL Switzerland) and Marialore Sulpizi (University Mainz Germany) have already accepted to be invited speakers.

We cordially invite you to submit an abstract to our session at : https://goldschmidt.info/2017/abstracts

The abstract submission deadline is April 1, 2017.
 We apologize for any potential duplicate emails advertising our session.

With kind regards,


Mike Machesky, Franz Geiger, Marie­-Pierre Gaigeot & Johannes Luetzenkirchen

 

Please find the session description below:

Geochemistry of contaminants on solid/solution interfaces: Experiment and Computation

The fate, persistence and mobility of contaminants are profoundly influenced by the complex variety of solid/solution interfaces which occur in near­surface environments. This includes various inorganic (e.g., clays, metal (hydr)oxides, carbonates, sulfides), and organic (e.g., microbial, organic matter) surfaces, often in intimate mutual association, which are bathed in solutions ranging from extremely dilute to more concentrated than seawater. To address the interactions between dissolved species and surfaces, numerous approaches have been developed: from an atomic scale description in DFT or MD simulations, in situ spectroscopies, and advanced multisite complexation modelling, to a broader view in generic 2­pK models or distribution coefficient determinations. Consequently, the objectives of such studies vary from a detailed understanding of surface speciation, to the development of reactive transport approaches with the predictive ability of the latter strongly depending on the level of understanding of the former.

This session will survey experimental and modeling approaches that are being used to unravel, reveal, and predict how solid/solution interfaces affect contaminant fate and transport over all environmentally relevant scales. Appropriate contributions to this session include studies on solid/solution interfaces (inorganic, organic, or in combination) with a focus on in situ spectroscopies (e.g., XAS, ATR­IR, SHG, SFG), DFT and MD calculations, what challenges for mineral/water interfaces have to be overcome in the near future, whether current experimental and theoretical approaches are sufficient to tackle these challenges, what new developments should be foreseen, and how to organize such developments in synergy between experiments and simulations.




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Ab initio (from electronic structure) calculation of complex processes in materials