Abstract For regulatory and certification purposes the indices that characterize the ignition propensity for a fuel, Research Octane Number (RON) and Motor Octane Number (MON), are measured in a Cooperative Fuel Research (CFR) engine. In an effort to reduce the cost and time of CFR engine testing, computer simulation based work capable of predicting the octane numbers for any fuel blend has received increased attention. Notably, the works of Westbrook et al. [1] , Badra et al. [2] , and Kim et al. [3] simulated the second stage hot ignition delay time (IDT) for fuels and correlated their ignition delay time with experimental RON/MON measurements to determine the relationship between calculated IDT and RON/MON, thereby providing a means to analytically assess the apparent RON/MON and octane sensitivity (OS=RON-MON) values for the fuel. Using a similar methodology, the current study investigated RON-like and MON-like simulated engine compression histories calculated using GT-Power. The current work's calculated IDTs were determined for mixtures of primary reference fuel (PRF) gasoline and major blending components (i.e., iso-octane, n-heptane, ethanol, and toluene), and neat octane boosting additives (e.g., ethyl-benzene, iso-butanol, di-iso-butylene (DIB)) using 0-D closed homogeneous reactor chemical kinetic simulations driven by volume-time and pressure-time compression profiles. The primary goal of the current work was to explore any possible dependence of the fuel's predicted octane number with the compression profile used (i.e., volume-time profile and pressure-time profile). To investigate any possible dependence, the calculated IDTs for both the volume profile and pressure profile driven simulations were used to develop RON and MON correlation curves based on the PRF and neat fuel experimental literature data from McCormick et al. [16] . The model derived RON and MON correlation curves were used to analytically assess the octane numbers of PRFs, toluene PRFs (TPRFs), and both PRFs and TPRFs blended with ethanol for comparison with experimental data from Foong et al. [13] . The simulations indicated a synergistic blending effect on octane number for ethanol blended with PRFs and TPRFs. Overall, the volume profile driven RON/MON/OS assessments had less difference from the experimental PRFs and TPRFs data (i.e., on the order of approximately +/- 2-6 ONs) than the pressure profile driven RON/MON/OS assessments (i.e., greater than approximately +/- 6 ONs). Lastly, the volume and pressure profile driven RON and MON assessments for selected mixtures were compared to the RON and MON assessments completed in [1] which were determined with pressure profile driven simulations.

中文翻译：

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RON 和 MON 化学动力学模型推导出与汽油和辛烷值提升添加剂点火延迟时间的相关性

摘要 出于监管和认证目的，在合作燃料研究 (CFR) 发动机中测量表征燃料点火倾向的指数、研究辛烷值 (RON) 和发动机辛烷值 (MON)。为了降低 CFR 发动机测试的成本和时间，能够预测任何混合燃料辛烷值的基于计算机模拟的工作受到越来越多的关注。值得注意的是，威斯布鲁克等人的作品。[1]，巴德拉等。[2] 和 Kim 等人。[3] 模拟了燃料的第二阶段热点火延迟时间 (IDT)，并将它们的点火延迟时间与实验 RON/MON 测量值相关联，以确定计算出的 IDT 与 RON/MON 之间的关系，从而提供了一种分析评估表观 RON 的方法燃料的 /MON 和辛烷值敏感度 (OS=RON-MON) 值。使用类似的方法，当前的研究调查了使用 GT-Power 计算的 RON 类和 MON 类模拟发动机压缩历史。当前工作计算的 IDT 是针对初级参考燃料 (PRF) 汽油和主要混合成分（即异辛烷、正庚烷、乙醇和甲苯）以及纯辛烷值增效添加剂（例如乙苯、异丁醇、二异丁烯 (DIB)) 使用由体积-时间和压力-时间压缩曲线驱动的 0-D 封闭均相反应器化学动力学模拟。当前工作的主要目标是探索燃料的预测辛烷值与所使用的压缩曲线（即体积-时间曲线和压力-时间曲线）之间的任何可能依赖关系。为了调查任何可能的依赖性，用于体积分布和压力分布驱动模拟的计算出的 IDT 用于根据来自 McCormick 等人的 PRF 和纯燃料实验文献数据开发 RON 和 MON 相关曲线。[16]。模型得出的 RON 和 MON 相关曲线用于分析评估 PRF、甲苯 PRF (TPRF) 以及 PRF 和 TPRF 与乙醇混合的辛烷值，以便与 Foong 等人的实验数据进行比较。[13]。模拟表明乙醇与 PRF 和 TPRF 混合对辛烷值有协同混合效应。总体而言，与压力分布驱动的 RON/MON/OS 评估相比，体积分布驱动的 RON/MON/OS 评估与实验 PRF 和 TPRF 数据的差异较小（即大约 +/- 2-6 ON）。即，大于大约 +/- 6 ON）。