A 246 species and 1062 reactions containing skeletal n-dodecane/n-butanol/NOx/Polycyclic Aromatic Hydrocarbon (PAH) combustion mechanism (Mix246) was developed for n-dodecane/n-butanol blend combustion under diesel engine-like conditions. The Mix246 mechanism was validated using ignition delay and species concentration profile data from various n-dodecane and n-butanol combustion experiments as well as by comparisons with predictions from the parent mechanisms. Subsequently, the Mix246 mechanism was coupled with a 3D Computational Fluid Dynamic (CFD) solver to simulate turbulent combustion of n-butanol/n-dodecane blended sprays in a constant volume combustor using an unsteady flamelet model. The CFD model for the 100% n-dodecane case was benchmarked against the non-reacting and reacting Spray-A conditions of the Engine Combustion Network (ECN). Finally, a parametric study was conducted to investigate the effects of various diesel engine-like conditions such as fuel injection pressure, initial ambient pressure and temperature conditions and varying n-butanol/n-dodecane blend ratios on NOx and soot emissions. Simulations show that the turbulent spray combustion evolves through distinct temporal stages and that the fully developed flame have spatially separated zones of reactive physics. Combustion properties and emission profiles for pure n-dodecane and blends with up to 20% n-butanol were seen to be nearly identical suggesting that n-butanol is a suitable alternative biofuel for CI engine combustion.

阿246物种以及含有骨骼1062个反应Ñ -dodecane / Ñ丁醇/氮氧化物/多环芳烃（PAH）的燃烧机构（Mix246）是为开发Ñ -dodecane / Ñ柴油下丁醇混合燃烧发动机样的条件。使用来自各种正十二烷和正丁醇燃烧实验的点火延迟和物质浓度分布数据以及与母体机理的预测进行比较，验证了Mix246机理。随后，将Mix246机制与3D计算流体力学（CFD）求解器结合使用，以模拟正丁醇/正丁烷的湍流燃烧使用非稳定小火焰模型在恒定体积燃烧器中混合十二烷混合喷雾。针对100％正十二烷情况的CFD模型以发动机燃烧网络（ECN）的非反应性和反应性Spray-A条件为基准。最后，进行了一项参数研究，以研究各种类似于柴油发动机的条件（例如燃料喷射压力，初始环境压力和温度条件以及变化的正丁醇/正丁醇）的影响。十二烷混合比对NOx和烟尘排放的影响。模拟表明，湍流的喷雾燃烧在不同的时间阶段演化，并且充分发展的火焰在空间上具有反应物理的分隔区域。纯正十二烷和最多20％正丁醇的混合物的燃烧特性和排放曲线几乎相同，这表明正丁醇是CI发动机燃烧的合适替代生物燃料。