Ignition and pollutant chemistry of next-generation biodiesels

这个项目的目标是调查和了解下一代生物燃料的点火和污染物形成化学。生物衍生燃料是一种重要的国内资源，有可能在解决区域空气质量问题的同时实现可持续发展目标。这些燃料的性能与传统燃料有很大的不同，对这些燃料的基本了解对发展先进内燃机(ACE)至关重要。这项研究将集中在生物柴油，或者更具体地说，生物柴油替代品。这些代用品是中等重量的酯，其分子结构类似于今天的S生物柴油和明天的S生物衍生合成衍生物。生物燃料工业正在寻求合成衍生物，以改善重要的燃料性质，如粘度、表面张力、倾点和热氧化稳定性。假设燃料S分子结构的操纵不仅影响这些性质，而且还影响点火行为和污染物的形成。在这项研究中将研究不同的燃料结构，包括不同的脂肪酸链和不同的酯基。将使用性能良好的快速压缩膨胀机(RCEM)以及集成的气体采样系统和GC/MS分析装置来获取必要的数据。来自RCEM的数据将被用来开发能够描述点火延迟、热释放和燃烧中间体的化学动力学机制。将借助反应路径和敏感性分析工具对机理进行验证和提炼。PI将与国家食品和农业研究中心、爱尔兰戈尔韦国立大学、ANL、Reaction Design和福特的合作者密切合作。这些组织代表了在ACEs中投资开发和有效利用下一代燃料的广泛各方。PI和他的研究小组，通过这个项目，将在这个不断发展的行业中发挥不可或缺的作用。拟议的工作将集中在C13-酯作为更大的C17-C21-分子的替代品，以揭示燃料分子结构，包括新的合成配方，如何在操作内燃机时调节点火行为和污染物的形成。特别令人感兴趣的是ACE工艺，包括低/中温(600-1100K)、高压(2-20兆帕)和不同程度的稀释。柴油和生物柴油相关燃料的基本数据稀缺，部分原因是非变性问题。这项研究将开发克服这一障碍的技术，并获得必要的数据。更广泛的影响这一综合研究和教育计划将促进与其他人的合作，以招收和留住马奎特大学机械工程专业的各种高素质本科生和研究生。通过这个项目，学生们将接触到：我们国家面临的关键问题，科学发现的技术和工具，令人兴奋和相关的研究主题，以及职业发展的机会，合作环境和国际视角。国际和平研究所将与三个国家实验室、一个国际大学和两个工业组织建立牢固的关系。教育和地区高中外展将通过工程学院？S参与引领项目的方式。通过这项工作获得的数据和理解将有助于形成急需的关于生物衍生燃料燃烧的知识体系。结果将在期刊、会议、工作组和网络论坛上广泛传播。

0968080GoldsboroughThe objective of this project is to investigate and understand the ignition and pollutant formation chemistry of next-generation of biofuels. Bio-derived fuels represent an important domestic resource with the potential to enable sustainability targets to be achieved while addressing regional air quality problems. These fuels behave significantly differently from conventional fuels and a fundamental understanding is critical for the development advanced combustion engines (ACE). This study will focus on biodiesels, or more specifically biodiesel surrogates. These surrogates are medium weight esters whose molecular structure is similar to today?s biodiesels and tomorrow?s bio-derived synthetic-derivatives. Synthetic derivatives are being pursued by the bio-fuel industry in order to improve important fuel properties such viscosity, surface tension, pour point and thermo-oxidative stability. It is hypothesized that manipulations of the fuel?s molecular structure not only impacts these properties, but also ignition behavior and pollutant formation. Various fuel structures will be investigated in this study including different fatty acid chains and different ester groups. A well-characterized, rapid compression expansion machine (RCEM) along with an integrated gas sampling system and GC/MS analytical unit will be employed to acquire necessary data. The data from the RCEM will be used to develop chemical kinetic mechanisms that can describe ignition delay, heat released, and combustion intermediates. The mechanisms will be validated and refined with the aid of reaction path and sensitivity analysis tools. The PI will work closely with collaborators at the National Center for Food and Agricultural Research, LLNL, the National University of Ireland Galway, ANL, Reaction Design and Ford. These organizations represent a wide spectrum of parties invested in the development and effective utilization of next-generation fuels in ACEs. The PI and his research group, through this project, will play an integral part in this evolving industry.Intellectual Merit The combustion chemistry of bio-derived fuels is not well understood. The proposed work will focus on C13- esters as surrogates for larger C17- C21- molecules in order to reveal how fuel molecular structure, including novel synthetic formulations, regulates ignition behavior and pollutant formation when used in operating combustion engines. Of particular interest are processes in ACE regimes including low/intermediate temperature (600-1100K), high pressure (2-20MPa) and various levels of dilution. Fundamental data for diesel and bio-diesel relevant fuels are scarce in part due to the problem of involatility. This research will develop techniques to overcome this barrier and acquire the necessary data. Broader Impacts This integrated research and education plan will enable collaboration with others, to recruit and retain a diverse pool of high-quality undergraduate and graduate students in mechanical engineering at Marquette University. Through this program students will be exposed to: critical issues facing our nation, techniques and tools for scientific discovery, exciting and relevant research topics, and opportunities for professional development, collaborative environments and international perspectives. Strong relationships will be cultivated between the PI and three national labs, one international university, two industrial organizations. Education and outreach to area high schools will be facilitated through the College of Engineering?s participation in Project Lead the Way. The data and understanding acquired through this work will contribute to an urgently needed body of knowledge regarding bio-derived fuel combustion. Results will be disseminated widely in journal, conference, working group and web-based forums.