The approach of mechanism generation is the accepted one of assigning generic rates to reactions in the same class. The procedure has been successfully applied to higher paraffins that include detailed sub-models of n-hexane, cyclohexane, n-heptane, n-decane, n-dodecane, and n-hexadecane and semi-detailed submodels of iso-octane and methyl cyclohexane, in addition to reactions of aromatic forma...

The application of 2,5-dimethylfuran (DMF) as an alternative fuel for internal combustion engines has been gaining popularity. However, it rarely studied in previous research on the chemical kinetics DMF engine simulations. In present study, a reduced n-heptane/toluene/DMF-polycyclic aromatic hydrocarbon (PAH) reaction mechanism containing only 78 species amongst 190 reactions was proposed and ...

The influence of the substituent at the C2 position on the hydrogen-bonding patterns is compared for a series of five related compounds, namely (±)-3-exo,6-exo-dibromo-5-endo-hydroxy-3-endo-nitrobicyclo[2.2.1]heptane-2-exo-carbonitrile, C(8)H(8)Br(2)N(2)O(3), (II), (±)-3-exo,6-exo-dibromo-6-endo-nitro-5-exo-phenylbicyclo[2.2.1]heptan-2-endo-ol, C(13)H(13)Br(2)NO(3), (III), (±)-methyl 3-exo,6-ex...

The separation of aromatic and aliphatic hydrocarbons is challenging, due to overlapping boiling points and formation of several azeotropes. Conventional solvents for those separations are polar substances, e.g. sulfolane. Recently it could be shown that ionic liquids can perform considerably better than common extraction solvents. Hence, ionic liquids can be a promising alternative [1]. Ionic ...

This research attempted to study the effect of lipophilicity on the anticancer activity of N-substituted norcantharimide derivatives. Twenty-three compounds were synthesized and their cytotoxicities against five human cancer cell lines studied. The lipophilicity of each derivative was altered by its substituent, an alkyl, alkyloxy, terpenyl or terpenyloxy group at the N-position of norcantharim...

This paper studies the generation process and emission characteristics of soot from Marine diesel engine. On basis Particulate size mimic (PSM) detailed model, parameters related to obtained reaction mechanism calculation 3 surrogate different carbon chain length: n-heptane, n-tetradecane n-tetradecane-toluene were compared analyzed including precursor soot, quality density particle distributio...