Project Details
Projekt
Choice of solvents for selective control of kinetics and thermodynamics of chemical reactions (A04)
Subject Area
Technical Thermodynamics
Term
from 2010 to 2021
Project identifier
Deutsche Forschungsgemeinschaft (DFG) - Project number 56091768
This subproject will combine quantum-chemical calculations of transition states and standard Gibbs energies of reaction with modeling the non-ideal interactions of reactants, products, and solvents using an equation of state (PC-SAFT). The combination of these two methods will allow predicting the solvent influence on the equilibrium and kinetics of chemical reactions and thus to choose the best-suitable solvent for a given reaction.
DFG Programme
CRC/Transregios
Applicant Institution
Technische Universität Berlin
Project Heads
Professorin Dr. Gabriele Sadowski; Dr. Matthias Stein
