Reaction front development from ignition spots in n-heptane/air mixtures: low-temperature chemistry effects induced by ultrafine water droplet evaporation

TL;DR

This study investigates how ultrafine water droplet evaporation influences reaction front development in n-heptane/air mixtures, revealing low-temperature chemistry effects and multiple ignition modes through detailed simulations.

Contribution

It introduces a one-dimensional spherical reactor model to analyze low-temperature chemistry effects induced by water droplet evaporation on reaction front development.

Findings

Water droplets reduce gas temperature, inducing low-chemistry reactions.

Three-stage ignition occurs at high droplet volume fractions.

Reaction front origin modes depend on initial temperature and turnover temperature.

Abstract

Effects of low-temperature chemistry induced by ultrafine water droplet evaporation on reaction front development from an ignition spot with temperature gradient are studied in this work. The Eulerian-Eulerian method is used to simulate the gas-liquid two-phase reactive flows and the physical model is one-dimensional spherical reactor with stoichiometric gaseous n-heptane/air mixture and ultrafine monodisperse water droplets (initial diameter 5 micrometres). Homogeneous ignitions of two-phase mixtures are first simulated. The water droplets can complete evaporation in the reactor prior to ignition, and hence pronouncedly reduce gas temperature, which may induce the low-chemistry reactions. It is found that the turnover temperature for negative temperature coefficient range increases with droplet volume fraction. Three-stage ignitions are present when the volume fraction is beyond a critical value, i.e., low-temperature, intermediate-temperature, and high-temperature ignitions. The chemical explosive mode analysis also confirms the low-chemistry reactions induced by the evaporation of ultrafine water droplets. Then reaction front development from an ignition spot with temperature gradient in two-phase mixtures is analysed based on one-dimensional simulations. Different modes for reaction front origin in the spot are identified, based on the initial gas temperature and lower turnover temperature. Specifically, the reaction front can be initiated at the left and right ends of the ignition spot, and inside it. Detailed reaction front developments corresponding to the above three modes are discussed. Besides, the pressure wave from high-temperature ignition is important, compared to those from low- and intermediate-chemistries.