Access the full text.
Sign up today, get unlimited access with DeepDyve Pro!
by molecular dynamics simulation . The whole pyrolysis process, the pyrolysis behavior of each component and the formation of S and N compounds are studied in detail. The results show that natural rubber (NR ...
to the orientation of the glycosidic bond. First principles molecular dynamics and density functional theory have been used to probe the decomposition of these disaccharides during pyrolysis at 700 K. The results ...
We have carried out the reactive force field simulations on the pyrolysis process of the transformer insulating oil at different temperatures from 2900 to 3500 K. The selected principal components ...
at high temperatures were simulated . The variation of all species in the system were recorded to investigate the effects of the temperature and pressure on the pyrolysis process. The obtained data ...
The kinetics and products of cellulose pyrolysis can be studied using large-scale molecular dynamics simulations at high temperatures , where the reaction rates are high enough to make the simulation ...
NEPE propellant is a new type of propellant with high energy and good low‐ temperature mechanical properties. However, due to the lack of detailed research on its microscopic pyrolysis and oxidation ...
K in periodic boundary conditions by molecular dynamic method, based on AMBER force field. The simulation results show that the pyrolysis process of PP can mostly be divided into three stages: low ...
of gaseous hydrocarbons. In this study, the kinetics behavior, cracking mechanisms, and products of n-tetradecane pyrolysis were investigated using reactive molecular dynamics (ReaxFF MD) simulations at high ...
experimental detection technology, it is difficult to carry out experimental research on the pyrolysis kinetics of SiHCl3. In this work, reactive force field molecular dynamics simulations of SiHCl3 pyrolysis ...
Access the full text.
Sign up today, get unlimited access with DeepDyve Pro!