Memdouh Belhi

Numerical modelling of ion transport in flames

This paper presents a modelling framework to compute the diffusivity and mobility of ions in flames. The (n, 6, 4) interaction potential is adopted to model collisions between neutral and charged species. All required parameters in the potential are related to the polarizability of the species pair via semi-empirical formulas, which are derived using the most recently published data or best estimates. The resulting framework permits computation of the transport coefficients of any ion found in a hydrocarbon flame. The accuracy of the proposed method is evaluated by comparing its predictions with experimental data on the mobility of selected ions in single-component neutral gases. Based on this analysis, the value of a model constant available in the literature is modified in order to improve the models predictions. The newly determined ion transport coefficients are used as part of a previously developed numerical approach to compute the distribution of charged species in a freely propagating premixed lean CH4/O2 flame. Since a significant scatter of polarizability data exists in the literature, the effects of changes in polarizability on ion transport properties and the spatial distribution of ions in flames are explored. Our analysis shows that changes in polarizability propagate with decreasing effect from binary transport coefficients to species number densities. We conclude that the chosen polarizability value has a limited effect on the ion distribution in freely propagating flames. We expect that the modelling framework proposed here will benefit future efforts in modelling the effect of external voltages on flames. Supplemental data for this article can be accessed at http://dx.doi.org/10.1080/13647830.2015.1090018.

Measurements of Positively Charged Ions in Premixed Methane-Oxygen Atmospheric Flames

ABSTRACT Cations and anions are formed as a result of chemi-ionization processes in combustion systems. Electric fields can be applied to reduce emissions and improve combustion efficiency by active control of the combustion process. Detailed flame ion chemistry models are needed to understand and predict the effect of external electric fields on combustion plasmas. In this work, a molecular beam mass spectrometer (MBMS) is utilized to measure ion concentration profiles in premixed methane–oxygen argon burner-stabilized atmospheric flames. Lean and stoichiometric flames are considered to assess the dependence of ion chemistry on flame stoichiometry. Relative ion concentration profiles are compared with numerical simulations using various temperature profiles, and good qualitative agreement was observed for the stoichiometric flame. However, for the lean flame, numerical simulations misrepresent the spatial distribution of selected ions greatly. Three modifications are suggested to enhance the ion mechanism and improve the agreement between experiments and simulations. The first two modifications comprise the addition of anion detachment reactions to increase anion recombination at low temperatures. The third modification involves restoring a detachment reaction to its original irreversible form. To our knowledge, this work presents the first detailed measurements of cations and flame temperature in canonical methane–oxygen-argon atmospheric flat flames. The positive ion profiles reported here may be useful to validate and improve ion chemistry models for methane-oxygen flames.

Analysis of the current–voltage curves and saturation currents in burner-stabilised premixed flames with detailed ion chemistry and transport models

Current-voltage, or i–V, curves are used in combustion to characterise the ionic structure of flames. The objective of this paper is to develop a detailed modelling framework for the quantitative prediction of the i–V curves in methane/air flames. Ion and electron transport coefficients were described using methods appropriate for charged species interactions. An ionic reaction mechanism involving cations, anions and free electrons was used, together with up-to-date rate coefficients and thermodynamic data. Because of the important role of neutral species in the ion production process, its prediction by the detailed AramcoMech 1.4 mechanism was optimised by using available experimental measurements. Model predictions were evaluated by comparing to i–V curves measured in atmospheric-pressure, premixed, burner-stabilised flames. A detailed evaluation of the reliability of ion kinetic and transport parameters adopted was performed. The model provides good quantitative agreement with experimental data for various conditions.