Computational catalytic modelling for the conversion of CO2 to higher-value synthetic fuels

将二氧化碳转化为更高价值合成燃料的计算催化模型

• 批准号: 2282304
• 金额: --
• 依托单位: University of Southampton
• 依托单位国家: 英国
• 项目类别: Studentship
• 财政年份: 2019
• 资助国家: 英国
• 起止时间: 2019 至 无数据
• 项目状态: 已结题
• 来源: https://gtr.ukri.org/projects?ref=studentship-2282304
• 关键词: Computational; catalytic; modelling; conversion; CO2

Shipping contributes substantial emissions of toxic or harmful exhaust gas containing compounds, such as CO2, NOx, SOx, particulates, volatile organic compounds (VOCs) and carbon residues from diesel engines. Whilst emissions from road traffic and other land-based sources has been either decreasing or holding steady, emissions from shipping have been increasing steadily for decades. A recent Greenhouse Gas Strategy report by the International Maritime Organization (IMO) set an ambitious target of reducing 50% reduction of the current CO2 by 2050. We are therefore entering a crucial transition whereby alternative fuels will play a more prominent role. However, this must begin immediately as ocean vessels have a long economic life so we need to look towards potential abundant feedstocks work with the current conversion processes to make them more effective and sustainable. Upgrading CO2 into higher-value alcohols or synthetic fuel production is a viable option. Reactions utilising CO2 as a feedstock within a system combining carbon-capturing species with hydrogen-activating nanoparticles for the direct conversion of CO2 to higher-value alcohols or synthetic fuels is an evolving field of research that holds great potential.This multidisciplinary project will involve a combination of experimental chemical investigations as well as the development of a catalytic modelling approaches which can capture the CO2 conversion process for a range of operating conditions, typical to the marine emission concentrations, to yield high-value synthetic fuels. The insight gained from this project will afford wider scope for optimisation the derivation of CO2-based fuels from biomass sources to further reduce CO2 emissions.

航运排放大量有毒或有害的废气，其中含有二氧化碳、氮氧化物、硫氧化物、微粒、挥发性有机化合物和柴油发动机的碳残留物等化合物。虽然道路交通和其他陆地来源的排放量一直在减少或保持稳定，但航运的排放量几十年来一直在稳步增加。国际海事组织（IMO）最近的温室气体战略报告设定了一个雄心勃勃的目标，即到2050年将目前的二氧化碳减少50%。因此，我们正在进入一个关键的过渡期，替代燃料将发挥更突出的作用。然而，这必须立即开始，因为远洋船舶具有较长的经济寿命，因此我们需要寻找潜在的丰富原料，与当前的转化工艺一起使用，使其更加有效和可持续。将二氧化碳升级为价值更高的醇类或合成燃料生产是一个可行的选择。在将碳捕获物质与氢活化纳米颗粒组合的系统内利用CO2作为原料的反应，用于将CO2直接转化为更高-价值醇或合成燃料是一个不断发展的研究领域，具有巨大的潜力。这个多学科项目将涉及实验化学研究的结合，以及可以捕获CO2转化过程的催化建模方法的开发对于一系列的操作条件，典型的海洋排放浓度，以产生高价值的合成燃料。从该项目中获得的见解将为优化从生物质来源获得基于CO2的燃料提供更广泛的范围，以进一步减少CO2排放。