Oxidation mechanisms even for rather simple hydrocarbons like heptane consist due to the occurrence of many isomeric structures of thousands of reactions of hundreds of species. The automatic generation of these reaction mechanisms using artificial intelligence means is described. Results are presented for n-heptane-air mixtures, where a hand-written reaction mechanism tested against experiment...

We have reported the study of methanol/AOT/n-heptane reverse micellar aggregates using Fourier Transform Infrared (FTIR) spectroscopy. We have divided our whole work into two parts. In the first part we have studied the structural properties of Aerosol OT (AOT) reverse micelles by monitoring the changes in the symmetrical sulfonate stretching region (1000-1100 cm(-1)), asymmetrical sulfonate st...

There is growing interest in using biodiesel in place of or in blends with petrodiesel in diesel engines; however, biodiesel oxidation chemistry is complicated to directly model and existing surrogate kinetic models are very large, making them computationally expensive. The present study describes a method for predicting the ignition behavior of blends of n-heptane and methyl butanoate, fuels w...

The title compound, [Cd(C(8)H(8)O(5))(C(3)H(4)N(2))(2)](n), was synthesized by the reaction of 7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxylic anhydride, cadmium acetate and imidazole. The Cd(II) atom is seven-coordinated in a distorted penta-gonal-bipyramidal configuration by five O atoms from carboxyl-ate groups of three 7-oxabicyclo-[2.2.1]heptane-2,3-dicarboxylate ligands and two N atoms from ...

The series of mono-metallic and bi-metallic catalysts have been prepared by impregnatingwith solutions containing compound of H2PtC15,NbC15 and lml HC1 (0.1 mol). The activityand selectivity of the catalysts have been determined under conditions at 450-500°C, 15-30atm. Molar ratio H2/C7H16=5 and VVH=1.5/h for converting n-heptane. Under theseexperimental conditions it has been established that ...

Asphaltenes and insoluble fractions of vacuum residues (VRs) of two Indian crude oils (viz. Heera and Jodhpur) of different specific gravity were obtained by precipitation of VRs in n-hexane, n-heptane, and ethyl acetate, and also ' by subsequent reprecipitation of n-heptane and ethyl acetate soluble fractions by n-pentane. The effect of various solvents on average molecular structure of asphal...

We studied the thermal diffusion behavior of mixtures of benzene and heptane isomers by reverse nonequilibrium molecular dynamics. For n-heptane/benzene mixtures, we investigated the concentration dependence of the Soret coefficient. The Soret coefficient for equimolar mixtures of the three heptane isomers 3-methylhexane, 2,3-dimethylpentane, and 2,4-dimethylpentane in benzene has been calculat...

Benefitting from the rapid development of instrumental analysis methods, intermediate products that were difficult to probe in past can now be measured and quantified complex reaction systems. To understand low temperature reactions interest for combustion applications, reduce deviations between model predictions experimental measurements, constant advancement understanding oxidation process is...

The zinc-cadmium oxide (ZnO-CdO) nanocomposites with different weight percentages of cadmium oxide (CdO) nanoparticles were successfully synthesized by the sonochemical method using zinc and cadmium nitrates as precursors to probe their nano-structured surfaces for the decomposition reactions of chloroethyl phenyl sulfide (CEPS) as a surrogate of sulfur mustard agent simulant. Scanning electron...