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Experimental results for the vapor-liquid equilibria of 0(formaldehyde+1,3,5-trioxane+methanol+salt+water)systems and comparison with predictions

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Chinese Journal of Chemical Engineering 2021年第4期34卷 291-300页

作者： Xianming Zhang Mengchen Li Yufeng Hu zhichang liu Shuqin Mo State Key Laboratory of Heavy Oil Processing and High Pressure Fluid Phase Behavior&Property Research Laboratory China University of PetroleumBeijing 102249China School of Chemical Engineering Ordos Institute of TechnologyOrdos 017000China PetroChina Petrochemical Research Institute Science Base PetroChina Beijing 102206China

The salt effect on the vaporliquid phase equilibrium(VLE)of solvent mixtures is of significant interest in the industrial production of 1,3,*** data for the VLE of quinary systems(formaldehyde+1,3,5trioxane+methanol+salt+water)and their ternary subsystems(formaldehyde+salt+water),(1,3,5trioxane+salt+water),and(methanol+salt+water)were systematic measured under atmospheric *** salts considered included KBr,NaNO_(3),and CaCl_(2).The extended UNIFAC model was used to describe the VLE of the saltcontaining reactive *** model parameters were determined from the experimental VLE data of ternary systems or obtained from the literature,and then were used to predict the VLE of systems(1,3,5trioxane+KBr+water),(methanol+KBr+water),(formaldehyde+KBr+water),and(formaldehyde+1,3,5trioxane+methanol+salt+water)with salt=KBr,NaNO_(3),and CaCl_(2).The predicted results showed good agreements with the measured ***,the model was used to uncover the salt effect on the VLE of these multisolvent reactive systems.

关键词： Vapor liquid equilibria Reactive distillation Activity coefficient 1,3,5-Trioxane production UNIFAC Salt effect

Numerical simulation of two-phase flow and droplet breakage of glycerin-water mixture and kerosene in the cyclone reactor

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Chinese Journal of Chemical Engineering 2021年第6期34卷 150-159页

作者： Yanni Chi Rui Zhang Xianghai Meng Jian Xu Wei Du Haiyan liu zhichang liu State Key Laboratory of Heavy Oil Processing China University of Petroleum-BeijingBeijing 102249China

A liquid-liquid cyclone reactor(LLCR)was designed to achieve mixing-reaction-separation integration during isobutane alkylation catalyzed by ionic ***,studies of the droplets deformation and breakage in the kind of reactors are *** this work,the research studied the velocity distribution,pressure field,and turbulent field to investigate the flow pattern and the main energy loss location in the LLCR through the computational fluid dynamics(CFD)*** simulation results were verified by experiemnts to prove the correctness of the *** the deformation and breakage process of droplets,and the influencing factors of droplets breakage were studied by remodeling which was based on the tangential velocity distribution result of the three dimensional *** three dimensional simulation results clearly showed that the pressure of the LLCR was mainly concentrated in the cone section and fluid turbulent motion was the most intense near the lateral *** reconstruct the results of the two dimensional model clearly showed that the deformation and breakage location of droplets were mainly occurred in the velocity boundary layer,while it was difficult to break in the mainstream *** addition,low surface tension and high Weber number had a positive effect on droplet breakage.

关键词： Liquid-liquid cyclone reactor Ionic liquid separation Droplet deformation Droplet breakage Computational fluid dynamics

High-efficiency separation and extraction of naphthenic acid from high acid oils using imidazolium carbonate ionic liquids

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Chinese Journal of Chemical Engineering 2022年第1期35卷 252-259页

作者： Fenghua Geng Rui Zhang Luo Wu Zheng Tang Han liu Haiyan liu zhichang liu Chunming Xu Xianghai Meng State Key Laboratory of Heavy Oil Processing China University of PetroleumBeijing 102249China

N-alkyl imidazolium carbonate ionic liquids were employed to separate and recover naphthenic acid from model *** effects of the cationic and anionic structures of ionic liquids and operating conditions on the deacidification performance were *** deacidification performance of traditional organic solvents was also investigated for *** results indicated that the naphthenic acid could be completely removed from the model oil with a small mass ratio of ionic liquid to *** extracted naphthenic acid was regenerated with a recovery of up to 92%.In addition,imidazolium carbonate ionic liquids could be successfully regenerated and *** mechanism of interaction between imidazole ionic liquids and the naphthenic acid molecules were explained by Gauss calculation.

关键词： Extraction Ionic liquid Naphthenic acid Recovery Computational chemistry

Mechanical Trapping of the Phlorin Intermediate

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CCS Chemistry 2022年第10期4卷 3230-3237页

作者： Min Tang Yimin Liang Jiali liu Lifang Bian zhichang liu Key Laboratory of Precise Synthesis of Functional Molecules of Zhejiang Province School of ScienceWestlake Universityand Westlake Institute for Advanced StudyHangzhouZhejiang 310024

Trapping unstable intermediates for elucidating reaction mechanisms in chemistry presents a formidable *** has long been a lack of direct evidence for key intermediates like the highly reactive phlorin leading to ***,we report a molecular-strain engineering(MSE)strategy that harnesses intramolecular strain to trap the native phlorin during porphyrin *** mechanically constraining its periphery,a phlorin stable towards oxidation was captured as an isolable intermediate and fully characterized.

关键词： molecular-strain engineering molecular bows porphyrinogens porphyrins proton-coupled electrontransfer photoinducedoxidativearomatization reaction mechanism

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Tetrahedron

Chinese Journal of Chemistry 2019年第8期37卷 834-842页

作者： Lin Wu Yusheng Chen Jingfang Pei Min Tang Shangshang Wang zhichang liu Department of Chemistry Zhejiang UniversityHangzhouZhejiang 310027China School of Science Westlake University18 Shilongshan RoadHangzhouZhejiang 310024China

Connecting a triangle base and an apex forms a simplest polyhedron-that is,a *** account of their structural simplicity and stability,two common classes of tetrahedra-namely,M4L4 and M4L6 (M indicates anions or metal cations,L indicates ligands with C3 symmetry for M4L4 and C2 symmetry for M4L6,respectively)-can be readily constructed from (i) six straight edges through an edge-bridged strategy or (ii) four triangle faces through a face-capped strategy,by means of supramolecular or coordination *** intrinsic cavities inside tetrahedra enable them to act as versatile hosts for encapsulating a variety of guests,which leads to a wide range of applications including molecular recognition,catalysis,sensing and so *** this review,we intend to summarize specifically the work carried out in the realm of porous tetrahedral *** includes representative synthetic strategies for the preparation of tetrahedra along with a general summary on their structural ***,we will highlight the state-of-the-art progress in various functions of tetrahedra,in addition to presenting a full overview of applications wherein we aim to provide new insights into the design and preparation of new topological geometric structures and functional materials on the basis of the simplest polyhedron-tetrahedron.

关键词： C3 M4L4 C2

Hierarchical Reduced Graphene Oxide-MnO_(2)@Polypyrrole Coaxial Nanotube Composite Hydrogel as a Potential Adsorbent for Cr(Ⅵ)Removal

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Journal of Wuhan University of Technology(Materials Science) 2024年第5期39卷 1287-1293页

作者： liu Ben XU Yaowei TONG Yuxing WANG Ziwei liu zhichang YAN Qunshan JI Jiayou GAO Song LI Shaoping China Tobacco Hubei Industrial Co. LtdWuhan 430040China Hubei Xinye Reconstituted Tobacco Development Co. Ltd.Wuhan 430056China Applied Technology Research of Reconstituted Tobacco Hubei Province Key Laboratory Wuhan 430040China School of Materials Science and Engineering Wuhan Institute of TechnologyWuhan 430205China Hubei Three Gorges Laboratory Yichang 443008China

A hierarchical reduced graphene oxide-MnO_(2)@polypyrrole coaxial nanotube composite hydrogel was prepared via oxidative polymerization of pyrrole in the presence of MnO_(2)nanotubes,followed by the hydrothermal treatment of graphene oxide and MnO_(2)@polypyrrole coaxial *** stable composite hydrogel with a hierarchical network was composed of one-dimensional MnO_(2)@polypyrrole coaxial nanotube and two-dimensional graphene nanosheet and characterized by scanning electron microscope,Fourier transform infrared spectroscopy,X-ray diffraction,Brunauer-Emmett-Teller surface,and X-ray photoelectron spectroscopy *** composite hydrogel can be used as an efficient adsorbent for Cr(Ⅵ)removal due to the synergistic interaction between graphene and MnO_(2)@polypyrrole and the hierarchical structure of the ***,the composite hydrogel is easily separated because of its stable monolith,and it is reusable(76.8%of removal ability remaining after five adsorption-desorption cycles).The simple fabrication and cost-effective separation process together with the excellent absorption performance endow the composite hydrogel with great potential for practical wastewater treatment.

关键词： hydrogel polypyrrole MnO_(2) graphene Cr(Ⅵ)removal

Chloroaluminate ionic liquid catalyzed isomerization of n-pentane in the presence of product distribution improver

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Petroleum Science 2011年第2期8卷 219-223页

作者： Xia Rong＇an Zhang Rui Meng Xianghai liu zhichang Meng Jiaying Xu Chunming State Key Laboratory of Heavy Oil Processing China University of Petroleum Beijing 102249 China

The ionic liquid Et3NHC1-2AIC13 can catalyze the isomerization of n-pentane. This paper investigates the ionic liquid catalyzed isomerization performance of n-pentane with several product distribution improvers in an autoclave. The product distribution of n-pentane isomerization could be improved by such improvers as benzene, cyelohexane, and methyl cyclohexane at the expense of conversion of n-pentane. The optimal product distribution improver was determined to be cyclohexane. The yield of isomerate and the selectivity of liquid isoalkanes increased, whereas the conversion of n-pentane decreased, with increasing cyclohexane amount. At the same conversion of n-pentane, the research octane number （RON） of liquid product, with cyclohexane amount of 0.5 wt%, was about 1.3 higher than that without cyclohexane. At the same reaction conditions, the presence of cyclohexane enhanced the yield of isomerate, the selectivity of liquid isoalkanes, and the RON of the liquid product, but reduced the conversion of n-pentane.

关键词： Isomerization ionic liquid improver pentane cyclohexane

Stable Au nanoparticles confined in boron nitride shells for optimizing oxidative desulfurization

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Nano Research 2023年第10期16卷 12076-12083页

作者： Linjie Lu Jing He Peiwen Wu Yang Sun Mingqing Hua Peng Cui Wenshuai Zhu Huaming Li zhichang liu Chunming Xu School of Chemistry and Chemical Engineering Jiangsu UniversityZhenjiang 212013China College of Chemical Engineering and Environment State Key Laboratory of Heavy Oil ProcessingChina University of Petroleum(Beijing)Beijing 102249China

Supported gold(Au)nanocatalysts have long played an important role in numerous heterogeneous ***,the dominant difficulty of poor thermodynamic stability hampers its practical ***,a core–shell structured Au nanocatalyst with Au nanoparticles(NPs)confined in boron nitride(BN)shells is proposed for enhanced thermodynamic *** two-dimensional porous structure of BN not only functions as a physical separator for the sintering resistance of Au NPs,but also provides a microchannel for catalytic reaction ***,owing to the confinement effect,a strengthened interaction between well-designed Au NPs and the BN can be expected,which further boosts the stability and catalytic *** experiments show that a proper BN shell thickness is important to maintain the balance between the sintering resistance and catalytic activity.A significantly boosted performance of 97.2%conversion in oxidative desulfurization(ODS)was obtained with a proper number of BN coating layers,outperforming the one with a thicker BN ***,the recyclability of the prepared catalyst was investigated with no obvious decrease in catalytic performance after 10 runs,greatly higher than that without a BN shell,suggesting excellent durability.

关键词： oxidative desulfurization core–shell boron nitride Au nanocatalyst confinement effect

Highly efficient catalyzed by imidazolium-based dual-sulfonic acid functionalized ionic liquids for liquid phase Beckmann rearrangement:experiments and COSMO-RS calculations

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Green Chemical Engineering 2024年第1期5卷 108-118页

作者： Xin Guo Zhiyuan Wang Ye Yang Jiahui Zhang Yanduo liu Zhiyuan Mu Siqi Jiang Chunxiao Ren Dan Lv Yufeng Hu zhichang liu State Key Laboratory of Heavy Oil Processing and High Pressure Fluid Phase Behavior&Property Research Laboratory China University of PetroleumBeijing102249China School of Chemistry and Materials Science University of Science and Technology of ChinaHefei230026China School of Light Industry and Engineering South China University of TechnologyGuangzhou510641China

A production technique with the high yield and environmentally friendly process need be developed forε-Caprolactam(CPL)in the chemical *** technology is highly desired to design and synthesize high--performance catalysts for liquid phase Beckmann rearrangement of cyclohexanone oxime(CHO)to *** this work,3-methyl-1-(propyl-4-sulfonyl)imidazolium methanesulfonate([PHSO_(3)MIM][MSA])with highly efficient and excellent yield is synthesized *** the optimum molar ratio of ZnCl_(2)over[PHSO_(3)MIM][MSA]was 0.02,it exhibits the high selectivity(94%)of CPL at 90℃for 1 ***,Fourier-transform infrared(FT-IR)investigations show that the functional Br∅nsted-Lewis acidic types of ionic liquids(ILs)are formed by the uniformly distributed ZnCl_(2)and[PHSO_(3)MIM][MSA].In addition,the hydrogen bond(H-bond)is formed between CHO and *** ten reaction cycles,no significant structure changes are observed in the recovered[PHSO_(3)MIM][MSA]-ZnCl_(2).The solubilities of ILs are predicted by using COSMO-RS model,the results show that[PHSO_(3)MIM][MSA]is a promising candidate for the liquid phase Beckmann rearrangement of CHO into ***,a theoretical model of the H-bond interactions between ILs and CHO is further confirmed to support the advance of reaction mechanism.A feasible way is provided for the CPL production technique in the liquid phase Beckmann rearrangement reaction.

关键词： Liquid phase Beckmann rearrangement Imidazolium-based ionic liquids COSMO-RS calculations H-bond