Automated computational thermochemistry for butane oxidation: A prelude to predictive automated combustion kinetics

2019 ◽  
Vol 37 (1) ◽  
pp. 363-371 ◽  
Author(s):  
Murat Keçeli ◽  
Sarah N. Elliott ◽  
Yi-Pei Li ◽  
Matthew S. Johnson ◽  
Carlo Cavallotti ◽  
...  
2019 ◽  
Vol 141 (2) ◽  
pp. 797-806 ◽  
Author(s):  
Tibor Szűcs ◽  
Pal Szentannai

AbstractThe utilization of challenging solid fuels in the energy industry is urged by environmental requirements. The combustion kinetics of these fuel particles differs markedly from that of pulverized coal, mainly because of their larger sizes, irregular (nonspherical) shapes, and versatile internal pore structures. Although the intrinsic reaction kinetic measurements on very small amounts of finely ground samples of these particles are mostly available, a bridge toward their apparent reaction modeling is not evident. In this study, a method is introduced to build this bridge, the goodness of which was proved on the example of an industrially relevant biofuel. To do this, the results of a macroscopic combustion measurement with real samples in a well-modelable environment have to be used, and for considering some not negligible effects, 3D CFD modeling of the experimental environment is also to be applied. The outcome is the mass-related reaction effectiveness factor as a function of the rate of conversion. This variable can be considered as the active fraction of the entire particle mass on its periphery, and it can be used as the crucial element in modeling the combustion process of the same particle under other circumstances by including the actual boundary conditions. Another advantage of this method is its covering inherently the entire combustion process (water and volatile release, and char combustion) and also its applicability for reactors utilizing bigger particles like fluidized bed combustors.


2015 ◽  
Vol 123 (1) ◽  
pp. 687-696 ◽  
Author(s):  
Mahmoud A. Sharara ◽  
Sammy S. Sadaka ◽  
Thomas A. Costello ◽  
Karl VanDevender ◽  
Julie Carrier ◽  
...  

ChemInform ◽  
2010 ◽  
Vol 25 (34) ◽  
pp. no-no ◽  
Author(s):  
F. CAVANI ◽  
F. TRIFIRO

Author(s):  
Neda Djordjevic

A combustion kinetics course offered as an elective for master students of mechanical engineering and transport systems can have quite a heterogeneous group of participating students with respect to their foreknowledge of organic chemistry, thermochemistry and basics of combustion. To deal with this challenge a mobile quiz application in form of a multiple choice questions with extensive explanations have been employed in order to motivate and facilitate needs-oriented self-learning. A survey showed that students felt strongly that the mobile app affected their learning positively, helped them to consolidate their knowledge during the semester and also to test it during the preparation for the oral exam. The students also reported being additionally motivated by being able to use a smartphone to enhance learning, given that such tools are presently still scarce. They perceived the technology-assisted learning enhancement through the app as innovative and very useful.


BioResources ◽  
2015 ◽  
Vol 10 (3) ◽  
Author(s):  
Sammy Sadaka ◽  
Hal Liechty ◽  
Matt Pelkki ◽  
Michael Blazier

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