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In this work, a new CO emissions formation model is developed based on the dynamics of a representative pool of radicals in the post-flame combustion gases. The ultimate target is the derivation of a kinetics-based CO model, formulated by a single differential equation, that can run very fast in any engine diagnostic/post-processing tool which analyzes in-cylinder processes in the framework of big data acquired at the engine test bench or during engine operation in the field. Specific objectives in the development of the current model are (i) inclusion of the effect of engine operating conditions on the CO emissions formation mechanism, (ii) ease of implementation in any diagnostic code/platform, (iii) fast running times toward real-time capability, and (iv) robustness. The presently developed CO model consists of a single Ordinary Differential Equation (ODE) that can be solved analytically, without the need of a stiff chemical kinetics solver.

The starting point of the present work is a global model of NOx formation for stoichiometric and lean combustion of hydrocarbons developed on the basis of a single non-linear algebraic equation. The latter is the exact solution of a system of differential equations describing the main kinetic reaction schemes of NOx formation, because it’s been analytically derived. The NOx sub-model incorporates the well-established thermal (extended Zeldovich) and the N2O reaction paths, which are considered to be the most relevant NOx production paths under certain operating conditions in arbitrary engine application. Furthermore, the NOx sub-model proposed here relies on well-established and adopted mechanisms like the GRI-Mech 3.0 [25] and consequently requires no parameter adjustment.

A new global NOx emissions formation model, formulated by a single analytically derived algebraic equation, is developed with relevance to post-flame gases. The model originates from subsets of detailed kinetic schemes for thermal and N2O pathway NO formation, needs no calibration and is quick to implement and run. Due to its simplicity, the model can be readily used in both 1D and 3D-CFD simulation codes, as well as for direct post-processing of engine test data. Characteristic timescales that describe the kinetic nature of the involved NO formation routes, when they evolve in the post-flame gases independently the one from another, are introduced incorporating kinetic information from all relevant elementary reactions.

The accurate prediction of pollutant emissions generated by IC engines is a key aspect to guarantee the respect of the emission regulation legislation. This paper describes the approach followed by the authors to achieve a strict numerical coupling of two different 1D modeling tools in a co-simulation environment, aiming at a reliable calculation of engine-out and tailpipe emissions. The main idea is to allow an accurate 1D simulation of the unsteady flows and wave motion inside the intake and exhaust systems, without resorting to an over-simplified geometrical discretization, and to rely on advanced thermodynamic combustion models and kinetic sub-models for the calculation of cylinder-out emissions. A specific fluid dynamic approach is then used to track the chemical composition along the exhaust duct-system, in order to evaluate the conversion efficiency of after-treatment devices, such as TWC, GPF, DPF, DOC, SCR and so on.

In this work a quasi-dimensional multi-zone combustion diagnostic tool for homogeneous charge Spark Ignition (SI) engines is analytically developed for the evaluation of heat release, flame propagation, combustion velocities as well as engine-out NOx and CO emissions, based on in-cylinder pressure data analysis. The tool can be used to assess the effects of fuel, design and operating parameters on the SI engine combustion and NOx and CO emissions formation processes. Certain novel features are included in the presently developed combustion diagnostic tool. Firstly, combustion chambers of any shape and spark plug position can be considered due to an advanced model for the calculation of the geometric interaction between a spherically expanding flame and a general combustion chamber geometry.