To our Vietnamese brothers and sisters in Taiwan!
VIN Taiwan brings you information about recruiting graduate students to do projects in Europe in the field of Computational Chemistry. If you are interested, please refer to the information below:
Name of project: zero-CO2 cemesNt THRough cArBonation of cAlcium Silicates and aluminatesS [CONTRABASS]
Detailed information (participating schools, application process, project information) can be found at:
DCUK1 will use atomic simulations to model at the most fundamental scale the carbonation of calcium silicates. The candidate will employ ab-initio molecular dynamics (AIMD) simulation techniques to identify carbonation mechanisms of clinker phases in solution, with special focus on calcium aluminates. The reaction pathways and energy barriers will be determined for different water activities. In addition, DC1 will employ MD simulations to examine surface binding free energy, solvation free energy, configurational entropy, and surface diffusion activation energies of carbonates at surfaces to determine the optimal conditions for clinker carbonation. All simulation results will be validated in the context of experimental observations conducted in other DCs.
DCUK1 will do secondments at Technical University of Cluj- Napoca (Romania) with Prof. I. Ardelain, ITT Madras (India) with Prof. A. Kunhi, and at the industrial partner HOLCIM (France) with Dr. B. Huet.
VIN TAIWAN
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