工业过程绿色低碳技术

针对钢铁、有色、化工、建材四大高碳排放行业,通过调研和分析,提出了绿氢/绿电替代、原料/产品结构调整、工艺流程再造、数字化和智能化的4个低碳化策略。结合不同行业的技术发展现状和趋势,建议了若干拟重点发展的先进低碳技术,凝练出需解决的关键科学技术难题,并提出了加快新技术应用及产业转型升级的建议和举措,以期为工业低碳绿色发展提供支撑。

A novel ionic liquids-based scrubbing process for efficient CO_(2) capture

A novel alkanolamine-based ionic liquid,N-methyl-diethanolammonium tetrafluoroborate ([MDEA][BF4]),was synthesized in our laboratory.The ionic liquid-based composite solution consisting of N-methyl-diethanolamine (MDEA),[MDEA][BF4],piperazine (PZ) and H2O was investigated for CO_(2) capture.The optimal performance for CO_(2) capture was found at 45°C,1.50 MPa,probably due to a synergistic action of the reaction and the transport.No apparent corrosion was found on stainless and carbon steel with the above composite solution.This finding is very significant to the promotion of its engineering application.

Electrodeposition of zinc coatings from the solutions of zinc oxide in imidazolium chloride/urea mixtures

To solve the inherent disadvantages in conventional processes for electrodeposition of zinc, it＇s necessary to develop more high-efficiency and environmentally friendly electrolytes. In this work, it was found that the dissolution of ZnO was remarka- bly enhanced in some imidazolium chloride by the addition of urea, and the solubility of ZnO in 1：1 [Amim]C1/urea mixture was as high as 8.35 wt% at 373.2 K. Electrochemical measurements showed that zinc could be readily electrodeposited from the solutions of ZnO. Bright, dense and well adherent zinc coatings with good purity were obtained from 0.6 M solution of ZnO in 1：1 [Amim]C1/urea at 323.2-343.2 K. It＇s expected that the solutions of ZnO in imidazolium chloride/urea mixtures have the potential to replace the traditional electrolytes, especially toxic zinc chloride-based ones for zinc electroplating, as well as preparation of zinc materials.

Study on the recovery of ionic liquids from dilute effluent by electrodialysis method and the fouling of cation-exchange membrane

With the wide application of ionic liquids(ILs)in various fields,developing efficient techniques to recover ILs from effluent is an urgent demand for the cost reduction and the environmental protection.In this study,an electrodialysis(ED)method was used to recover 1-butyl-3-methylimidazolium chloride([Bmim]Cl)IL from aqueous solution as model effluent.The influences of initial IL concentration and applied voltage on the current efficiency,removal ratio,desalination ratio,membrane flux and specific energy consumption during the ED process were investigated.It was found that the removal ratio and desalination ratio increases with the increasing of initial IL concentration and applied voltage.The current efficiency decreases with the increasing of initial IL concentration and the current efficiency reached the maximum value of 94.3%at 25 V.Besides,as the applied voltage increases,the membrane flux increases and the specific energy consumption decreases.Moreover,the fouling of cation-exchange membrane was also discovered after the desalination of IL.The deposits on the surface or into the membrane which is probably caused by[Bmim]+was characterized by scanning electron microscopy,elemental analysis and Fourier transform infrared.

Computational studies of the structure and cation-anion interactions in 1-ethyl-3-methylimidazolium lactate ionic liquid

Quantum chemical calculations of the structures and cation-anion interaction of 1-ethyl-3-methylimidazolium lactate ([Emim][LAC]) ion pair at the B3LYP/6-31++G** theoretical level were performed. The relevant geometrical characteristics, energy properties, intermolecular H-bonds (H-bonds), and calculated IR vibrations with respect to isolated ions were systematically discussed. The natural bond orbital (NBO) and atoms in molecule (AIM) analyses were also employed to understand the nature of the interactions between cation and anion. The five most stable geometries were verified by analyzing the relative energies and interaction energies. It was found that the most of the C-H···O intermolecular H-bonds interactions in five stable conformers have some covalent character in nature. The elongation and red shift in IR spectrum of C-H bonds which involve in H-bonds is proved by electron transfers from the lone pairs of the carbonyl O atom of [LAC] to the C-H antibonding orbital of the [Emim]+. The interaction modes are more favorable when the carbonyl O atoms of [LAC] interact with the C2-H of the imidazolium ring and the C-H of the ethyl group through the formation of triple H-bonds.

All-atom and united-atom simulations of guanidinium-based ionic liquids

Ionic liquids (ILs) have been widely used in separation, catalysis, electrochemistry, etc., and one of the most outstanding characteristics is that ILs can be tailored and tuned for specific tasks. In order to design and make better use of ionic liquids, the structures and properties relationship is indispensable. Both molecular dynamics and Monte Carlo simulations have been proved useful to understand the behavior of molecules at the microscale and the properties of the system. However, the quality of such simulations depends on force field parameters describing the interactions between atoms. All-atom (AA) or the united-atom (UA) force fields will be chosen because of the demand for more exact results or the lower computational cost, respectively. In order to make a systematic comparison of the two force fields, molecular simulations for four kinds of acyclic guanidinium-based ionic liquids (cations: (R2N)2C=N+<, anion: nitric or perchloric acid) were performed based on the AA and the UA force fields in this work. AA force field parameters were derived from our previous work (Fluid Phase Equilib., 2008, 272: 1-7), and the UA parameters were proposed in this work. Molecular dynamics simulation results for the AA and UA force fields were compared. Simulation densities are very similar to each other. Center of mass radial distribution functions (RDFs), site to site RDFs and spatial distribution functions (SDFs) were also investigated to depict the microscopic structures of the ILs.

苏北灌溉总渠现状行洪能力计算

基于MIKE11建立了苏北灌溉总渠一维河道水流模型,采用2015年、2021年实测地形及洪水资料对模型进行了率定和验证,且计算值与实测值均吻合较好,所建模型能较好模拟河道洪水演进过程。采用该模型对2021年地形条件下河道现状行洪能力进行了计算,结果表明:苏北灌溉总渠现状行洪能力局部河段不满足800 m^(3)/s的设计标准,总渠地涵至入海口段仅为设计行洪能力的50%。入海口处六垛南闸下港道淤积是河道行洪能力不足的主要影响因素,造成上游河道主要控制节点水位最大壅高0.78 m;采用闸下港道清淤等工程措施后,可有效恢复河道行洪能力。