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In the present study, we developed a reduced chemical reaction mechanism consisted of n-heptane and toluene as surrogate fuel species for diesel engine combustion simulation. The LLNL detailed chemical kinetic mechanism for n-heptane was chosen as the base mechanism. A multi-technique reduction methodology was applied, which included directed relation graph with error propagation and sensitivity analysis (DRGEPSA), non-essential reaction elimination, reaction pathway analysis, sensitivity analysis, and reaction rate adjustment. In a similar fashion, a reduced toluene mechanism was also developed. The reduced n-heptane and toluene mechanisms were then combined to form a diesel surrogate mechanism, which consisted of 158 species and 468 reactions. Extensive validations were conducted for the present mechanism with experimental ignition delay in shock tubes and laminar flame speeds under various pressures, temperatures and equivalence ratios related to engine conditions.

A multi-step acetone-butanol-ethanol (ABE) phenomenological soot model was proposed and implemented into KIVA-3V Release 2 code. Experiments were conducted in an optical constant volume combustion chamber to investigate the combustion and soot emission characteristics under the conditions of 1000 K initial temperature with various oxygen concentrations (21%, 16%, 11%). Multi-dimensional computational fluid dynamics (CFD) simulations were conducted in conjunction under the same operation conditions. The predicted soot mass traces showed good agreement with experimental data. As ambient oxygen decreased from 21% to 11%, ignition delay retarded and the distribution of temperature became more homogenous. Compared to 21% ambient oxygen, the peak value of total soot mass at 16% oxygen concentration was higher due to the suppressed soot oxidation mechanism.

Alcohols, especially n-butanol, have received a lot of attention as potential fuels and have shown to be a possible alternative to pure gasoline. The main issue preventing butanol's use in modern engines is its relatively high cost of production. ABE, the intermediate product in the ABE fermentation process for producing bio-butanol, is being studied as an alternative fuel because it not only preserves the advantages of oxygenated fuels, but also lowers the cost of fuel recovery for individual component during fermentation. With the development of advanced ABE fermentation technology, the volumetric percentage of acetone, butanol and ethanol in the bio-solvents can be precisely controlled. In this respect, it is desirable to estimate the performance of different ABE blends to determine the best blend and optimize the production process accordingly.

Butanol has proved to be a very promising alternative fuel in recent years. The production of bio-butanol, typically done using the acetone-butanol-ethanol (ABE) fermentation process is expensive and consumes a lot of energy. Hence it is of interest to study the intermediate fermentation product, i.e. water-containing ABE as a potential fuel. The combustion and emissions performance of ABE29.5W0.5 (29.5 vol.% ABE, 0.5 vol.% water and gasoline blend), ABE30 (30 vol.% ABE and gasoline blend) and ABE0 (pure gasoline) were investigated in this study. The results showed that ABE29.5W0.5 enhanced engine torque by 9.6%-12.7% and brake thermal efficiency (BTE) by 5.2%-11.6% compared to pure gasoline, respectively. ABE29.5W0.5 also showed similar brake specific fuel consumption (BSFC) relative to pure gasoline.

Ethanol is the most widely used renewable fuel in the world now. Compared to ethanol, butanol is another very promising renewable fuel for internal combustion engines. It is less corrosive, and has higher energy density, lower vapor pressure and lower solubility in water. However, the use of Acetone-Butanol-Ethanol (ABE), an intermediate product in ABE fermentation, presents a cost advantage over ethanol and butanol and has attracted much attention recently. In this study, three high-alcohol-content gasoline blends (85% vol. of ethanol, butanol and ABE, referred as E85, B85 and ABE85, respectively) were investigated in a port-injection spark-ignition engine. ABE has a component ratio of 3:6:1. In addition, pure gasoline was also tested as a baseline for comparison. All fuels were tested under the same conditions (1200 RPM, Φ = 0.83−1.25, BMEP = 3 bar).

Recent research has shown that butanol, instead of ethanol, has the potential of introducing a more suitable blend in diesel engines. This is because butanol has properties similar to current transportation fuels in comparison to ethanol. However, the main downside is the high cost of the butanol production process. Acetone-butanol-ethanol (ABE) is an intermediate product of the fermentation process of butanol production. By eliminating the separation and purification processes, using ABE directly in diesel blends has the potential of greatly decreasing the overall cost for fuel production. This could lead to a vast commercial use of ABE-diesel blends on the market. Much research has been done in the past five years concerning spray and combustion processes of both neat ABE and ABE-diesel mixtures. Additionally, different compositions of ABE mixtures had been characterized with a similar experimental approach.