Metal-based reactive nanomaterials

Recent progress in the development of diesel surrogate fuels

Comprehensive chemical kinetic modeling of the oxidation of 2-methylalkanes from C7 to C20

The experimental evaluation of a methodology for surrogate fuel formulation to emulate gas phase combustion kinetic phenomena

The kinetic modeling of the pyrolysis and combustion of liquid transportation fuels is a very complex task for two different reasons: the challenging characterization of the complex mixture of several hydrocarbon isomers and the complexity of the oxidation mechanisms of large hydrocarbon and oxygenated molecules. While surrogate mixtures of reference components allow to tackle the first difficulty, the complex behavior of the oxidation mechanisms is mostly overcome by reducing the total number of involved species by adopting a lumping approach. After a first investigation of the different liquid fuels (gasoline, kerosene, and diesel fuels), a short discussion on the lumping techniques allows to highlight the advantages of this approach. The lumped POLIMI pyrolysis and oxidation mechanism of hydrocarbon and oxygenated fuels is then used for generating several skeletal mechanisms for typical surrogate mixtures, moving from pure n-heptane up to heavy diesel fuels. These skeletal models are simply reduced with a reaction flux analysis, and they involve between 100 and 200 species. While these sizes already allow detailed computational fluid dynamics (CFD) calculations in internal combustion engines, further reduction phases are necessary when the interest is toward more complex CFD computations. To maintain the standard structure of the skeletal mechanisms, successive reduction phases are not considered. Moreover, new regulations pushed toward a greater use of renewable fuels. For these reasons, the skeletal models are also extended to biogasolines including methanol, ethanol, and n-butanol. Similarly, skeletal models of diesel and biodiesel fuels, including methyl esters, are also provided. Several comparisons with experimental data and complete validations in the operating range of internal combustion engines are also reported. The whole set of comparisons with experimental data obtained in a wide range of conditions not only validate the reduced models of specific transportation fuels but also the complete kinetic scheme POLIMI_1404.

Reduced Kinetic Schemes of Complex Reaction Systems: Fossil and Biomass‐Derived Transportation Fuels

https://www.yang.gatech.edu/publications/Journal/PECS%20(Beckstead,%202007).pdf

Modeling of combustion and ignition of solid-propellant ingredients

Detailed chemical kinetic mechanism for surrogates of alternative jet fuels

Efficient Simulation of Diesel Engine Combustion Using Realistic Chemical Kinetics in CFD

Applying Detailed Kinetics to Realistic Engine Simulation: the Surrogate Blend Optimizer and Mechanism Reduction Strategies

Use of Detailed Kinetics and Advanced Chemistry-Solution Techniques in CFD to Investigate Dual-Fuel Engine Concepts

Karthik V. Puduppakkam

Papers

Modeling of combustion and ignition of solid-propellant ingredients

Detailed chemical kinetic mechanism for surrogates of alternative jet fuels

Efficient Simulation of Diesel Engine Combustion Using Realistic Chemical Kinetics in CFD

Applying Detailed Kinetics to Realistic Engine Simulation: the Surrogate Blend Optimizer and Mechanism Reduction Strategies

Use of Detailed Kinetics and Advanced Chemistry-Solution Techniques in CFD to Investigate Dual-Fuel Engine Concepts