(1) Basic Study on Ionic Liquids

Based on the accumulation of theoretical and experimental studies on the microscopic nature of ionic liquids, a basic understanding the meso-scale structure of ionic liquids has been formed. A new unique force "Z bond" is proposed to be existed in the ionic liquids, which induces a quite complex nano-structure. The essential characteristics of the Z bond is studied by lots of work, utilizing the quantum chemical software to optimize and compare the configuration of Z-bond structure formed in typical pro-/hydrophobic ionic liquids, decomposing energy of ion pairs by SAPT, analyzing the ratio of the z-bond energy in different components such as electrostatic energy, induction energy, dispersive energy and exchange energy, and analyzing charge transfer between ion pairs. Through the analysis on energy and structure of the Z bond, it is found that the conventional LJ effect and electrostatic interaction. As the interaction between Z-bonded anions and cations in ionic liquids cannot be expressed accurately, the team establishes a new model contained angle to express the Z-bond interaction in the ionic liquids, and a molecular force field containing the Z bond to study the three-dimensional dynamic structure and variation law of the ionic liquid in the practical application system. Molecular dynamics simulation method was used to study the variation law of cluster morphology of clusters in aqueous solution and the control mechanism during formation. By carefully decomposing the various atoms in the whole system and the interaction between molecules, the forces that cause the clusters to aggregate and the forces that inhibit the formation of the clusters are divided, and the root of driving force for cluster formation is found. Therefore, a comprehensive understanding of the roles and mechanisms of different groups of anions and cations in the formation of ion clusters has been gained.

(2) New Reactor and Engineering Amplification

Due to its low vapor pressure, high gas absorption capacity, structural designability and low corrosivity, ionic liquids have shown good application prospects in gas separation and other fields. However, there are few studies on the flow and mass transfer laws as the basis for equipment/process amplification theory. Also, the research on reactor design for ionic liquids has hardly been reported. Hence, it has become one of the main bottlenecks for the industrial application of ionic liquids for gas separation. In response to this situation, the laboratory conducted experimental and simulation studies on the bubble behavior in ionic liquids, which can theoretically deepen and expand the understanding of all-ionic media, and provide important support for the industrial application of ionic liquids for gas separation.

(3) Preparation of Carbonate/Ethylene Glycol Catalyzed by Ionic Liquid

Carbonate is widely used in electronics, automotive, military and other industries. Ethylene glycol is mainly used in the production of polyester fiber and resin. To overcome the shortage of complex process, high energy consumption and poor economy, a green and efficient process has been developed through ionic liquid catalytic alcoholysis for the production of carbonate/ethylene glycol. The new process has the characteristics of high atomic economy, low discharge of "three wastes" and simple process, and becomes the most promising technology in the production method of carbonate. More importantly, the process further enriches the downstream products of epoxy compounds and forms a complete industrial chain of ethylene derivatives, which will dominate the production of carbonate/ethylene glycol. Therefore, it is of great significance to develop the new process for the synthesis of carbonate/ethylene glycol catalyzed by ionic liquids.

In cooperation with Jiangsu Aoke Chemical Co., Ltd., we established the first domestic and international 33,000 tons/year ionic liquid solid-state catalytic production of carbonate/glycol industrial plant. It is planned to start production on January 22, 2018.

(4) New Technology for the Catalytic Production of Isooctane Green Alkylation by Ionic Liquids

The laboratory has established a new ionic liquid catalyst scale preparation device for the production of isooctane by using ether C4 as raw material to realize industrial catalyst production. Based on the experimental data of the small test, finishing the design, construction and installation of the process package, the line device of 100 t/a ionic liquid catalyzed alkylation production has been built successfully in May 2014, realized the normal operation of the device and achieved good operation results. On this basis, the 200,000-ton process package was designed and developed, and the 200,000-tonne plant of Shengyuan Group was optimized and transformed. At the end of 2014, the successful and stable operation of isooctane industrial alkylation unit was realized, and a complete set of technologies with independent intellectual property rights has been formed

(5) Electrochemical Energy Storage under the Guidance of Molecular Simulation

Guided by molecular simulation, closely combined with experiments, the laboratory further extended the research field to lithium ion battery anode materials, lithium ion capacitor electrode materials, electrode/electrolyte interaction and power storage device based on the development of ionic liquid electrolyte.

In terms of electrolyte research and development, the laboratory further developed high-pressure electrolyte and lithium titanate anti-expansion gas electrolyte based on the electrolyte of the general-purpose lithium-ion battery product. In the optimized electrolyte system, the self-developed ionic liquid additive can be A stable protective film is formed on the surface of the electrode material to improve the electrode/electrolyte interface stability and improve cycle performance. The high-pressure electrolyte developed by the laboratory is used for lithium nickel manganate in a well-known power battery company in China||lithium titanate cylindrical battery, and the battery has no significant attenuation after 2000 cycles. Electrolyte technology has established a production line of 5,000 tons/year in Henan, and the products have been promoted and applied in dozens of battery manufacturers.

In the aspect of electrode materials, a series of transition metal oxide (TMO) and Si-based composite materials with nanostructure and good electrochemical properties were designed and prepared, and the typical nano-array structure Co3O4 including Si/C composite modification was compared. The capacity and cycle stability were greatly improved compared with those before modification. ZnxCo3-xO4 with root-mimetic structure was further prepared, which has the characteristics of high specific capacity and good rate performance, and TMO- prepared by solvothermal method. Nano-carbon (NC) composites have excellent performance in capacitors. Take the TiO2/NC composite material in Figure 4 as an example. It is combined with the laboratory-developed ionic gel electrolyte. 4.0 V, which is better than the 2.7 or 3.0 V cut-off voltage commonly used in supercapacitors, the energy density of the device has been greatly improved. The energy density of ion-gel asymmetric capacitors prepared by the laboratory is now 59 Wh/ Kg, power density up to 17.3 kW/ kg.

In terms of new battery structure design, the laboratory has also developed a lithium-sulfur flow battery based on “self-stabilizing” slurry, which has the characteristics of simple process and low cost, and the energy density is larger than that of the whole vanadium redox flow battery. Increased to 400 Wh/L. At present, this battery is in the small test stage, and will be further enlarged after the safety verification is completed.

(6) New gas separation technology based on ionic liquid method

1) Study on ammonia tail gas purification and NH3 comprehensive recovery by ionic liquid method

Industrially, the treatment standards for ammonia-containing tail gas are getting higher and higher, and the existing methods have many problems. This research aims to provide a new idea for the industrial solution to the purification treatment of ammonia-containing tail gas. Ionic liquid is a salt which is liquid at room temperature and has many excellent properties. It has a wide application prospect in gas separation. A series of conventional ionic liquids, Bronsted acidic ionic liquids and proton-type ionic liquids were designed and synthesized in the laboratory. The results show that proton-type ionic liquids have high ammonia absorption (absorbed at 40 °C, 100 kPa). 2.69 mol NH3/mol IL), and can be recycled, completed the laboratory equipment continuous evaluation experiment, will build a set of processing capacity of 130 million Nm3 / year in Jinduicheng Molybdenum Co., Ltd., with good industrialization potential .

2) Experimental study on CO2 capture in IGCC shift gas by ionic liquid method with low energy consumption

For global warming, low-energy capture and separation of fossil combustion exhaust gas and CO2 in chemical processes has become a global hot issue. Due to its high CO2 absorption, ionic liquids have attracted much attention from researchers. In this study, a gas absorption and desorption continuous operation evaluation device (2.0 Nm3/h) was set up, and the ionic liquid type absorbent was applied to the CO2 removal experiment in IGCC shift gas to verify its energy consumption. The results showed that the ionic liquid type absorbent Compared with conventional organic amine absorbents, the energy consumption for regeneration can be reduced by 17.4 %.

(7) New technology for waste PET degradation based on ionic liquids

PET (polyethylene terephthalate) is a versatile thermoplastic polyester with a wide range of applications. With the development of the economy and the continuous improvement of people's living standards, the waste of discarded PET continues to increase. According to statistics, about 3-5% of the polyester production and processing will become waste, and most of the PET products used in large quantities are disposable consumer goods, which are discarded after use, so the emissions of used PET are very large. Because waste PET has the characteristics of light weight, large volume and difficult natural decomposition, the direct discharge of a large amount of waste PET not only causes serious environmental pollution, but also brings huge waste of resources. As the capital of China, Beijing is a key city for consumption. If it is not handled well, it will bring huge pollution to the city. Therefore, the recycling and recycling of waste PET is of great significance, not only can reduce environmental pollution, but also can prolong the utilization period of resources, save production of raw materials, and generate enormous social and economic benefits in terms of environmental friendliness and resource conservation. The laboratory developed a waste PET recycling technology based on ionic liquids. The technology uses alcohol reagents as solvents, new ionic liquids and solid salts as catalysts to achieve rapid and efficient waste PET polymerization under normal pressure and low temperature conditions. The ester is degraded, and the ionic liquid can be reused to reduce the solvent and catalyst loss caused by volatilization. It provides a new method and technology for efficient degradation of other polyester wastes and foams, with obvious technical economy. Sexual and significant social environmental effects, and the technology is currently the only new technology in the world that uses ionic liquids as catalysts and achieves a scale of 1,000 tons. It can also be applied to the degradation of polymers in other gases, such as PET blended fibers. Degradation, separation and recovery provide important technical support for the realization of the circular economy and sustainable development goals of China and the capital Beijing.