scholarly journals Tutorial: Langevin Dynamics methods for aerosol particle trajectory simulations and collision rate constant modeling

2021 ◽  
Vol 155 ◽  
pp. 105746
Author(s):  
Vikram Suresh ◽  
Ranganathan Gopalakrishnan
2012 ◽  
Vol 132 (6) ◽  
pp. 411-416
Author(s):  
Patrick Copinger ◽  
Michiaki Inomoto ◽  
Toru Ii ◽  
Akihiro Kuwahata ◽  
Yoshinori Hayashi ◽  
...  

1992 ◽  
Vol 114 (2) ◽  
pp. 235-241 ◽  
Author(s):  
A. Hamed

This work presents the results of a study conducted to investigate particle surface interaction characteristics and their effects on the particle dynamics and blade erosion in axial flow gas turbines. The particle restitution velocities measured experimentally using Laser Doppler Velocimetry in a special tunnel are analyzed using statistical methods. The resulting distribution functions of the rebounding particle velocities after surface impacts are introduced in the particle trajectory simulations through the turbine blade passages, using a methodology that combines particle dynamics computations in a probabilistic model. The presented results for the simulated ash particle dynamics demonstrate the effect of the experimentally measured variance in the particle restitution characteristics on the particle surface impacts, and the associated blade erosion in an axial flow turbine.


Atmosphere ◽  
2019 ◽  
Vol 10 (3) ◽  
pp. 116
Author(s):  
Mingjie Chen ◽  
Huanqin Wang ◽  
Qiang Sun ◽  
Fajun Yu ◽  
Yuzhong Wang ◽  
...  

The effect of the design and process parameters of a particle-classification zone on the sizing precision of a plate differential mobility analyzer (PDMA) was investigated by simulation software in this work. The design parameters consisted of the length, width, and height of the classification zone, and the process parameters could lead to height deviation and an uneven classification-zone wall. Prior to investigating the parameters, a comparison between experimental voltages and PDMA simulation results was applied to validate the simulation model. Thanks to velocity-field and particle-trajectory simulations, as well as experimental data from the former version of the PDMA, the dimensions of the classification zone and other key parameters were optimized. Our research shows that the dimensions of the classification zone influence the applied voltages and the measuring range of the PDMA, and range can be extended to 500 nm with low applied voltages after optimization. When the reasonable error range of the height is ±2% for the classification zone, the PDMA could basically achieve a classification role, and when it is ±1%, the PDMA has a better classifying effect.


Author(s):  
A. Hamed ◽  
W. Tabakoff

This work presents the results of a study conducted to investigate particle surface interaction characteristics and their effects on the particle dynamics and blade erosion in axial flow gas turbines. The particle restitution velocities measured experimentally using Laser Doppler Velocimetry in a special tunnel are analyzed using statistical methods. The resulting distribution functions of the rebounding particle velocities after surface impacts are introduced in the particle trajectory simulations through the turbine blade passages, using a methodology that combines particle dynamics computations in a probabilistic model. The presented results for the simulated ash particle dynamics demonstrate the effect of the experimentally measured variance in the particle restitution characteristics on the particle surface impacts, and the associated blade erosion in an axial flow turbine.


1974 ◽  
Vol 52 (9) ◽  
pp. 1798-1806 ◽  
Author(s):  
Bruce H. Solka ◽  
Andrew Y.-K. Lau ◽  
Alex. G. Harrison

The ion-molecule reactions in propane and in methane–propane mixtures have been studied using an ion-trapping technique and rate coefficients have been measured for the reactions occurring. In pure propane the C2H5+ primary ions react by H− transfer to form C3H7+ whereas C2H4+ reacts to form C3H6+ (25%) and C3H7+ (75%). Using isotopically labelled propanes it was found that both n-propyl and i-propyl ions were formed with the n-propyl ions reacting slowly to produce i-propyl ions. In various deuterium labelled methane–propane mixtures C(H,D)5+ reacts with the propane with a rate constant of ∼1.5 × 10−9 cm3 molecule−1 s−1 in agreement with the calculated collision rate. It is shown that no hydrogens from the CH5+ ion are incorporated in the product ions which are found to be C2H5+ (70%), (CH3)2CH+ (25%), and CH3CH2CH2+ (5%).


2019 ◽  
Vol 21 (44) ◽  
pp. 24478-24488 ◽  
Author(s):  
Martin Gleditzsch ◽  
Marc Jäger ◽  
Lukáš F. Pašteka ◽  
Armin Shayeghi ◽  
Rolf Schäfer

In depth analysis of doping effects on the geometric and electronic structure of tin clusters via electric beam deflection, numerical trajectory simulations and density functional theory.


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