我国“富煤贫油少气”的特点使煤炭高效清洁利用成为重要国家战略。煤经合成气制甲醇、烯烃、乙二醇、石油等技术已产业化，然而，至今仍有许多重要的大宗化工产品未能实现产业化，其共性关键科学问题是催化剂的表界面结构对CO和氢气的吸附与活化、电子转移、选择性催化等构效关系规律仍有待深入认识；催化剂稳定性的内部结构因素至今仍知之甚少。本项目以煤经合成气制年需求量约130万吨的甲酸甲酯的催化反应为研究对象，针对上述科学问题，创新提出生产甲酸甲酯的气相法新技术，即“煤制甲酸甲酯”，以解决传统甲酸甲酯液相法技术的生产难题，通过研究催化剂的可控制备、表界面构效关系、载体效应和理论模拟，获得高活性、高选择、长寿命的负载型Pd纳米催化剂，并进一步将催化剂放大至100mL模试规模，开发出寿命大于500小时的新型催化剂，为“煤制甲酸甲酯”的中试和工业化生产奠定基础，从而实现甲酸甲酯工业生产从液相法到气相法的变革性突破。

The character of China’s resources “rich coal, deficient oil, lean gas” makes that the efficient and clean use of coal become the significant state strategy. The technologies of coal via syngas to methanol, olefins, ethylene glycol, oil have been achieved industrialization. However, there are still many important chemical products cannot be produced from coal as raw material. The common key scientific problems are that the structure-activity relationships of surface and interface structures of nanocatalysts and the adsorption and activation of CO and hydrogen, electron transfer, the selectivity of products still require deep understanding; the intrinsic structure factors of the stability of nanocatalysts are little known. In this proposal, we choose the catalytic reaction of coal via syngas to methyl formate, which has a demand of 1.3 million tons of annual, as our research object, and propose a new technology to produce methyl formate in vapor-phase called “coal to methyl formate” to solve the problems of traditional liquid-phase production process. Through the research of the controllable synthesis, the relationships of surface and interface structures and activities, the effects of support, and the theoretical simulation, we aim to develop supported Pd nanocatalysts with high activity, high selectivity and long life, and further enlarge the scale of supported Pd nanocatalysts to 100 mL to obtain new nanocatalysts with life more than 500 hours, which will lay solid foundation for the pilot plant test and and achieve the innovational breakthrough for the industrial production of “coal to methyl formate” from liquid-phase to vapor-phase.