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Combustion of fuel with oxidizer inside a combustion chamber of an internal combustion engine forms inevitable oxides of nitrogen (NOx) due to high temperature at different locations of the combustion chamber. This study aims to quantify NOx formed inside the combustion chamber using two fuels, a conventional diesel (n-heptane) and a biodiesel (methyl oleate).

This research uses a computational fluid dynamics simulation of chemically reacting fluid flow to quantify and compare oxides of nitrogen (NOx) in a compression ignition (CI) engine. The study expends species transport model of ANSYS FLUENT. The simulation model has provided the temperature profile inside the combustion chamber, which is subsequently used to calculate NOx using the NOx model. The simulation uses a single component hydrocarbon and oxygenated hydrocarbon to represent fuels; for instance, it uses n-heptane (C₇H₁₆) for diesel and methyl-oleate (C₁₉H₃₆O₂) for biodiesel. A stoichiometric air–fuel mixture is used for both fuels. The simulation runs a single cylinder CI engine of 650 cm³ swept volume with inlet and exhaust valves closed.

The pattern for variation of velocity, an important flow parameter, which affects combustion and subsequently oxides of nitrogen (NOx) formation at different piston locations, is similar for the two fuels. The variations of in-cylinder temperature and NOx formation with crank angles have similar patterns for the fuels, diesel and biodiesel. However, the numerical values of in-cylinder temperature and mass fraction of NOx are different. The volume averaged static peak temperatures are 1,013 K in case of diesel and 1,121 K in case of biodiesel, while the mass averaged mass fractions of NOx are 15 ppm for diesel and 141 ppm for biodiesel. The temperature rise after combustion is more in case of biodiesel, which augments the oxides of nitrogen formation. A new parameter, relative mass fraction of NOx, yields 28% lower value for biodiesel than for diesel.

This work uses a new concept of simulating simple chemical reacting system model to quantify oxides of NOx using single component fuels. Simplification has captured required fluid flow data to analyse NOx emission from CI engine while reducing computational time and expensive experimental tests.