Development and Validation of Chemical Kinetic Mechanism Reduction Scheme for Large-Scale Mechanisms

2014 ◽  
Vol 7 (3) ◽  
pp. 653-662 ◽  
Author(s):  
Hiew Mun Poon ◽  
Hoon Kiat Ng ◽  
Suyin Gan ◽  
Kar Mun Pang ◽  
Jesper Schramm
Keyword(s):  
Large Scale ◽  
Kinetic Mechanism ◽  
Chemical Kinetic ◽  
Reduction Scheme ◽  
Mechanism Reduction ◽  
Chemical Kinetic Mechanism ◽  
Development And Validation

Chemical Kinetic Mechanism Reduction Scheme for Diesel Fuel Surrogate

2014 ◽  
Vol 541-542 ◽  
pp. 1006-1010 ◽  
Author(s):  
Hiew Mun Poon ◽  
Hoon Kiat Ng ◽  
Su Yin Gan ◽  
Kar Mun Pang ◽  
Jesper Schramm
Keyword(s):  
Diesel Fuel ◽  
Batch Reactor ◽  
Cetane Number ◽  
Kinetic Mechanism ◽  
Chemical Kinetic ◽  
Species Number ◽  
Reduction Scheme ◽  
Mechanism Reduction ◽  
Chemical Kinetic Mechanism ◽  
Fuel Surrogate

In this study, performance of the DRG-based chemical kinetic mechanism reduction techniques was evaluated using a diesel fuel surrogate model, which is the n-hexadecane mechanism. Following that, a new mechanism reduction scheme was developed to generate a reduced mechanism which is suitable to be applied in diesel engine applications.As a result, areduced mechanism with 49 species and 97 elementary reactions was successfully derived from the detailed mechanismwithan overall 97% reduction in species number and computational runtime in zero-dimensional closed homogeneous batch reactor simulations. After that, the reduced n-hexadecane mechanism was applied to simulate spray combustion in a constant volume bomb using OpenFOAM software. Results show that n-hexadecane alone is inappropriate to be employed as a single-component diesel surrogate as its high cetane number has resulted in advanced ignition timing. This agrees with recent study andthus fuel blending is suggested in order to match the diesel fuel kinetics and compositions.

Complex chemical kinetic mechanism reduction for simultaneous catalytic oxidation and desulphurization of hydrogen sulphide

Fuel ◽  
2021 ◽  
Vol 286 ◽  
pp. 119406
Author(s):  
Brandon Wang Lung Chai ◽  
Henry Chee Yew Foo ◽  
Inn Shi Tan ◽  
Man Kee Lam ◽  
Lee Chung Lau
Keyword(s):  
Catalytic Oxidation ◽  
Hydrogen Sulphide ◽  
Kinetic Mechanism ◽  
Chemical Kinetic ◽  
Mechanism Reduction ◽  
Complex Chemical ◽  
Chemical Kinetic Mechanism
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