Kinetic Surrogate Model for GTL Kerosene

Abstract

This paper present results of kinetic model formulation for synthetic Gas-To-Liquid (GTL) kerosene. The input formula of surrogate (IFS) is determined from the optimization of a set of criteria: enthalpy of formation, density, C/H ratio, viscosity, sooting tendency index, two phase diagram, distillation curve, and ignition delay and cetane number (CN). The proposed surrogate consists of 17% of 2,7-dimethyloctane, 32% of 2-methyldecane, 15% of n-propylcyclohexane and 36% of n-decane. Due to the lack of data for branched 2,7-dimethyloctane (i-C10H22) and monoparaffin 2methyldecane (i-C11H24), the simplified surrogates composed of n-decane, npropylcyclohexane and iso-octane has been suggested and used as a reference model. Then the chemical kinetic models for both lowand high-temperature regimes for a iC10H22 and i-C11H24 have been developed on the basis of the previously-developed kinetic model for C1-nC10 oxidation. The oxidation mechanisms have been tested on experimental data from literature and on the measured ignition delay times performed in a shock tube for two isomers of i-C10H22 under the conditions: p5 = 16-17 atm, T5 = 6501500K and  = 1. The obtained kinetic sub-models have been gradually introduced in the simplified reference model. The experimental data for ignition delay of GTL kerosene have been modeled using these simplified surrogates and results have been compared. The influence of the brunched alkanes on the combustion characteristics of the GTL kerosene has been discussed.