The behaviors of spray, in Reactivity Controlled Combustion Ignition (RCCI) dual fuel engine and subsequent emissions formation, are numerically addressed. Five spray cone angles ranging between 5° and 25° with an advanced injection timing of 22° Before Top Dead Center (BTDC) are considered. The objective of this paper is twofold: (a) to enhance engine behaviors in terms of performances and consequent emissions by adjusting spray cone angle and (b) to outcome the exergy efficiency for each case. The simulations are conducted using the Ansys-forte tool. The turbulence model is the Renormalization Group (RNG) K-epsilon, which is selected for its effectiveness in strongly sheared flows. The spray breakup is governed by the hybrid model Kelvin–Helmholtz and Rayleigh–Taylor spray models. A surrogate of n-heptane, which contains 425 species and 3128 reactions, is used for diesel combustion modeling. The obtained results for methane/diesel engine combustion, under low load operating conditions, include the distribution of heat transfer flux, pressure, temperature, Heat Release Rate (HRR), and Sauter Mean Diameter (SMD). An exergy balance analysis is conducted to quantify the engine performances. Output emissions at the outlet of the combustion chamber are also monitored in this work. Investigations show a pressure decrease for a cone angle θ = 5° of roughly 8%, compared to experimental measurement (θ = 10°). A broader cone angle produces a higher mass of NO_x. The optimum spray cone angle, in terms of exergy efficiency, performance, and consequent emissions is found to lie at 15° ≤ θ ≤ 20°.

Even though there is a pressing interest in clean energy sources, compression ignition (CI) engines, also called diesel engines, will remain of great importance for transportation sectors as well as for power generation in stationary applications in the foreseeable future. In order to promote applications dealing with complex diesel alternative fuels by facilitating their integration in numerical simulation, this paper targets three objectives. First, generate novel diesel fuel surrogates with more than one component. Here, five surrogates are generated using an advanced chemistry solver and are compared against three mechanisms from the literature. Second, validate the suggested reaction mechanisms (RMs) with experimental data. For this purpose, an engine configuration, which features a reacting spray flow evolving in a direct-injection (DI), single-cylinder, and four-stroke motor, is used. The RNG k-Epsilon coupled to power-law combustion models is applied to describe the complex in-cylinder turbulent reacting flow, while the hybrid Eulerian-Lagrangian Kelvin Helmholtz-Rayleigh Taylor (KH-RT) spray model is employed to capture the spray breakup. Third, highlight the impact of these surrogate fuels on the combustion properties along with the exergy of the engine. The results include distribution of temperature, pressure, heat release rate (HRR), vapor penetration length, and exergy efficiency. The effect of the surrogates on pollutant formation ($N{O}_X$, $CO$, $C{O}_2$) is also highlighted. The fifth surrogate showed 47% exergy efficiency. The fourth surrogate agreed well with the maximum experimental pressure, which equaled 85 Mpa. The first, second, and third surrogates registered 400, 316, and 276 g/kg fuel, respectively, of the total CO mass fraction at the outlet. These quantities were relatively higher compared to the fourth and fifth RMs.

Hydrogen is a promising alternative fuel for internal combustion engines due to its high specific energy, fast flame speed, and carbon-free combustion. In dual-fuel operation, it offers a practical route to reducing greenhouse gas emissions while remaining compatible with existing engine hardware. This work evaluates how the hydrogen energy substitution ratio (HSR = 50, 70, and 90%) influences spray dynamics, combustion characteristics, and emissions in a heavy-duty compression ignition engine. Simulations are validated against experiments and use a URANS RNG k–ε framework with a hybrid combustion model: the Eddy Dissipation Concept (EDC) coupled with detailed kinetics (111 species, 768 reactions) for auto-ignition and diffusion burning of diesel, and a G-equation for propagation of a hydrogen-rich premixed flame. The results reveal clear spray–combustion linkages. At HSR 50, the higher Weber number induces stronger breakup, yielding a smaller Sauter mean diameter and higher number-averaged droplet velocity; at HSR 90, the spray is more stable and less atomized, with larger droplets and a shorter vapor penetration length. Increasing the HSR reduces unburned hydrocarbons (UHCs) by more than 50% from HSR 50 to HSR 90 while modestly altering combustion phasing (a later CA50 and a shorter burn duration due to faster hydrogen flame propagation). The validated model provides a practical tool for optimizing dual-fuel settings and HSR–EGR–SOI trade-offs to balance efficiency and emissions.