Design and assessment of suitable surrogate fuels for diesel fuel modelling

在接下来的十年里，柴油燃料压缩点火燃烧技术有望成为最有效、最实用、最具成本效益的车辆和固定设备供电方式之一。将更清洁、更高效的发动机技术从研发实验室转化为最终消费者（市场）需要大量的成本和时间。柴油燃料的计算模型，燃烧过程和由此产生的排放是一个实用的工具，以获得洞察力和设计更好的（污染更少，效率更高）的未来发动机。然而，为了提供可靠的预测，一个模型需要考虑大量化学物质的详细演变，以及复杂的子过程，如发动机中发生的湍流和传热。在这项工作中，我们系统地发展了一种化学机制形式的数学描述，描述了柴油燃料燃烧和排放形成的化学机制。该模型将在实际发动机条件下进行严格的实验验证。我们期望更好地了解烟尘排放的特征，即形态、组成、大小和密度，在此基础上可以衍生出新的技术来减少这些有害污染物。拟议工作的结果将利用开源倡议在公共领域传播，以造福科学界和整个社会。

For the next decade, the diesel fuelled compression ignition combustion technology is expected to remain as one of the most efficient, practical, and cost-effective means of delivering power for vehicular and stationary applications. Transforming and bringing cleaner and more efficient engine technologies from the research and development laboratories to the end consumer (market) is both cost and time intensive. Computational modelling of the diesel fuel, the combustion process and the resulting emissions serves as a practical tool to gain insight and design better (less polluting and more efficient) engines of tomorrow. However, in order to provide reliable predictions, a model needs to account for the detailed evolution of a large number of chemical species in addition to complex sub-processes such as turbulence and heat transfer occurring in an engine. In this work, we systematically develop a mathematical description in the form of a chemical mechanism that describes the combustion and formation of emissions from combustion of diesel fuel. The model will be rigorously validated against experiments under practical engine conditions. We expect to gain a better understanding of the characteristics of soot emissions, namely, the morphology, composition, size and density, based on which new techniques can be derived to reduce these harmful pollutants. The results from the proposed work will be disseminated in the public domain using open-source initiatives to the benefit of the scientific community and the society at large.