In light of the climate change and the fact that surface transportation heavily relies on internal combustion engines, many different alternatives to gasoline have been proposed. Herein, we present a model which allows a quick assessment of the suitability of a certain molecule as replacement for gasoline. Using a global sensitivity analysis, the elemental composition and the vapor heat capacity have been identified as main influencing fuel parameters. A case study using the currently proposed alternative fuels (methanol, ethanol, n-butanol, imethylfuran, methylfuran, α-pinene) as well as gasoline and several ydrocarbons (cyclohexane, n-heptane, isooctane, benzene) revealed n-butanol as best performing alternative fuel. The use of this compound entails a significant decrease in CO2 emissions and an increased efficiency, but also a higher consumption in comparison with gasoline.

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使用热力学火花点火发动机模型评估汽油替代品的性能

鉴于气候变化以及地面运输严重依赖内燃机这一事实，已经提出了许多不同的汽油替代品。在这里，我们提出一个模型，该模型可以快速评估某些分子作为汽油替代品的适用性。使用全局敏感性分析，已将元素组成和蒸汽热容确定为主要影响燃料的参数。使用当前提议的替代燃料（甲醇，乙醇，正丁醇，异丁烷，甲基呋喃，α-pine烯）以及汽油和几种碳氢化合物（环己烷，正庚烷，异辛烷，苯）进行的案例研究表明，正丁醇是最佳选择执行替代燃料。使用该化合物可大大减少CO2排放并提高效率，