From theoretical reaction dynamics to chemical modeling of combustion
نویسندگان
چکیده
منابع مشابه
Numerical Combustion Modeling For Complex Reaction Systems
........................................................................................................... 223 Samenvatting ................................................................................................... 225 Curriculum Vitae ............................................................................................. 227
متن کاملQuantum Chemical Reaction Dynamics
This section describes the research efforts and progress made for the implementation and performance of the quantum mechanical reactive scattering application (3D-REACT) across CASA heterogeneous computer environments with nodes that can reside at geographically different locations. This is a scientifically and technically important application. The formalism uses a symmetrized hyperspherical c...
متن کاملChemical reaction dynamics.
Understanding the motions of the constituent atoms in reacting molecules lies at the heart of chemistry and is the central focus of chemical reaction dynamics. The most detailed questions one can ask are about the evolution of molecules prepared in a single quantum state to products in individual states, and both calculations and experiments are providing such detailed understanding of increasi...
متن کاملSemiclassical approaches to controlling chemical reaction dynamics
We propose to use semiclassical methods to treat laser control problems of chemical reaction dynamics. Our basic strategy is as follows: Laser-driven chemical reactions are considered to consist of two processes. One is the wavepacket propagation on an adiabatic potential energy surface (PES), and the other is the electronic transition between PES’s. Because the latter process is mathematically...
متن کاملApproximation of chemical reaction rates in turbulent combustion simulation
It is essential to increase the efficiency of the commercially available combustion engines because of the limitations in fossil energy resources and environmental pollution Also the emission standards are a challenging aspect. If one succeeds in designing the combustion process, in particular the chemical reactions, it would be feasible to partly replace complex experiments by computer simulat...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Proceedings of the Combustion Institute
سال: 2017
ISSN: 1540-7489
DOI: 10.1016/j.proci.2016.07.100