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A minimalist functional group (MFG) approach for surrogate fuel formulation

机译:替代燃料配方的极简功能组(MFG)方法

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Surrogate fuel formulation has drawn significant interest due to its relevance towards understanding combustion properties of complex fuel mixtures. In this work, we present a novel approach for surrogate fuel formulation by matching target fuel functional groups, while minimizing the number of surrogate species. Five key functional groups; paraffinic CH3, paraffinic CH2, paraffinic CH, naphthenic CH-CH2 and aromatic C-CH groups in addition to structural information provided by the Branching Index (BI) were chosen as matching targets. Surrogates were developed for six FACE (Fuels for Advanced Combustion Engines) gasoline target fuels, namely FACE A, C, F, G, I and J. The five functional groups present in the fuels were qualitatively and quantitatively identified using high resolution H-1 Nuclear Magnetic Resonance (NMR) spectroscopy. A further constraint was imposed in limiting the number of surrogate components to a maximum of two. This simplifies the process of surrogate formulation, facilitates surrogate testing, and significantly reduces the size and time involved in developing chemical kinetic models by reducing the number of thermochemical and kinetic parameters requiring estimation. Fewer species also reduces the computational expenses involved in simulating combustion in practical devices. The proposed surrogate formulation methodology is denoted as the Minimalist Functional Group (MFG) approach. The MFG surrogates were experimentally tested against their target fuels using Ignition Delay Times (IDT) measured in an Ignition Quality Tester (IQT), as specified by the standard ASTM D6890 methodology, and in a Rapid Compression Machine (RCM). Threshold Sooting Index (TSI) and Smoke Point (SP) measurements were also performed to determine the sooting propensities of the surrogates and target fuels. The results showed that MFG surrogates were able to reproduce the aforementioned combustion properties of the target FACE gasolines across a wide range of conditions. The present MFG approach supports existing literature demonstrating that key functional groups are responsible for the occurrence of complex combustion properties. The functional group approach offers a method of understanding the combustion properties of complex mixtures in a manner which is independent, yet complementary, to detailed chemical kinetic models. The MFG approach may be readily extended to formulate surrogates for other complex fuels. (C) 2018 The Combustion Institute. Published by Elsevier Inc. All rights reserved.
机译:替代燃料配方因其与理解复杂燃料混合物的燃烧特性有关而引起了极大的兴趣。在这项工作中,我们提出了一种新的替代燃料配方方法,即通过匹配目标燃料官能团,同时最大限度地减少替代物种类的数量。五个主要职能部门;除分支指数(BI)提供的结构信息外,还选择了石蜡CH3,石蜡CH2,石蜡CH,环烷CH-CH2和芳族C-CH基团作为匹配目标。为六种FACE(高级燃烧发动机燃料)汽油目标燃料(即FACE A,C,F,G,I和J)开发了替代物。使用高分辨率的H-1定性和定量鉴定了燃料中存在的五个官能团核磁共振(NMR)光谱。在将替代组件的数量限制为最多两个的过程中,施加了进一步的限制。通过简化需要估算的热化学和动力学参数的数量,这简化了替代制剂的制备过程,简化了替代测试,并显着减少了开发化学动力学模型所需的尺寸和时间。更少的种类还减少了模拟实际设备中燃烧所涉及的计算费用。提议的替代配方方法被称为“简约功能组(MFG)”方法。 MFG替代物使用点火延迟时间(IDT)在目标质量ASTM D6890方法学规定的点火质量测试仪(IQT)和快速压缩机(RCM)中针对其目标燃料进行了实验测试。还进行了阈值烟ing指数(TSI)和烟点(SP)测量,以确定替代燃料和目标燃料的烟ot倾向。结果表明,MFG替代物能够在各种条件下重现目标FACE汽油的上述燃烧特性。当前的MFG方法支持现有的文献,这些文献表明关键的官能团是造成复杂燃烧特性的原因。官能团方法提供了一种理解复杂混合物燃烧特性的方法,该方法与详细的化学动力学模型无关,但又相互补充。 MFG方法可以很容易地扩展到为其他复杂燃料制定替代物。 (C)2018年燃烧研究所。由Elsevier Inc.出版。保留所有权利。

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