The shift from fossil to renewable fuels presents an opportunity to tailor a fuel’s molecular structure and composition to the needs of advanced internal combustion engine concepts, while simultaneously aiming for economic and sustainable fuel production. We have recently proposed a method for computer-aided design of tailor-made fuels that integrates aspects of both product and production pathway design. The present paper sets out to sequentially combine that method with experimental investigation on a single cylinder research engine and model-based early-stage process evaluation to create, validate, and benchmark a rationally designed multi-component biofuel for highly boosted spark-ignition engines. To this end, the computer-aided design approach is applied to a network of possible fuel components and their production pathways. The resulting optimal four-component fuel EBCC (50 mol% ethanol, 21 mol% 2-butanone, 15 mol% cyclopentane, and 14 mol% cyclopentanone) is analyzed with regard to combustion performance and estimated fuel production cost. Variations of both the indicated mean effective pressure and the relative air/fuel ratio were performed on an engine equipped with a compression ratio of 14.7. EBCC achieves indicated efficiencies that are significantly higher than those of RON 102 gasoline fuel and comparable to those of pure 2-butanone, an extremely knock-resistant fuel identified in a previous round of model-based fuel design. Furthermore, a strong reduction in engine-out soot emissions is observed compared to RON 102 gasoline. Early-stage process evaluation shows EBCC to have lower estimated fuel production costs than 2-butanone. Production costs of pure ethanol, however, are estimated to be even lower, mainly due to lower plant investment costs and a synthesis pathway that does not require hydrogen. The paper concludes with a brief perspective on further integration of the proposed sequential approach with the goal of co-optimizing the production and combustion of renewable fuel blends.

从化石燃料到可再生燃料的转变提供了一个机会，可以根据先进内燃机概念的需要调整燃料的分子结构和成分，同时以经济和可持续的燃料生产为目标。我们最近提出了一种定制燃料的计算机辅助设计方法，该方法集成了产品和生产路径设计的各个方面。本论文着手将该方法与单缸研究发动机的实验研究和基于模型的早期过程评估相结合，以创建、验证和基准测试一种用于高增压火花点火发动机的合理设计的多组分生物燃料。为此，将计算机辅助设计方法应用于可能的燃料组件及其生产路径的网络。针对燃烧性能和估计的燃料生产成本分析了得到的最佳四组分燃料 EBCC（50 mol% 乙醇、21 mol% 2-丁酮、15 mol% 环戊烷和 14 mol% 环戊酮）。指示平均有效压力和相对空燃比的变化是在压缩比为 14.7 的发动机上进行的。EBCC 实现的指示效率显着高于 RON 102 汽油燃料的指示效率，并且可与纯 2-丁酮（一种在前一轮基于模型的燃料设计中确定的极耐爆震燃料）相媲美。此外，与 RON 102 汽油相比，观察到发动机排出的碳烟排放量大幅减少。早期工艺评估表明 EBCC 的估计燃料生产成本低于 2-丁酮。然而，估计纯乙醇的生产成本甚至更低，这主要是由于较低的工厂投资成本和不需要氢气的合成途径。本文最后简要介绍了所提出的顺序方法的进一步整合，其目标是共同优化可再生燃料混合物的生产和燃烧。