Deteriorating environment and stricter emission norms are motivating researchers for finding sustainable transport solutions. Researchers are focusing on two approaches namely adaptation of alternative fuels, and exhaust gas after-treatment. Utilization of alternate fuels such as methanol, ethanol, and biodiesel etc. in internal combustion (IC) engines reduces inherent chemical components present in conventional fossil fuels. These chemical species are a major source of harmful pollutants such as particulate matter (PM), polycyclic aromatic hydrocarbons (PAHs), PM bound trace metals, etc. Advancement in after-treatment technologies such as optimization of hexagonal cells of substrate, use of noble metals, etc. are also effective in reducing pollutants from engine tail-pipe. However, developments for adaptation of these technologies in existing engines is a challenging task. For adaptation of any alternative fuel, engine components need to be modified according to fuel properties. However, optimization of design parameters of thousands of engine components is a tedious task, which cannot be done experimentally. This can be done easily using modelling techniques, in which a prototype engine can be developed to investigate the effect of engine design parameters and fuel properties on the engine performance and emission characteristics. In last few years, 1-D and 3-D simulation tools have been extensively explored for engine design and performance optimization. This chapter discusses basic modelling techniques, which can be used for engine research. This chapter also presents heat transfer models, which are important for in-cylinder combustion analysis. Few fluid-flow models have also been discussed in this chapter, which are mainly used for in-cylinder air-flow investigations, fuel flow in the fuel injection system, etc. Overall, this chapter discusses modelling aspects related to engine design so that alternative fuels can be adapted.
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