首页期刊导航|中国化学工程学报（英文版）
期刊信息/Journal information
中国化学工程学报（英文版）
中国化学工程学报（英文版）

廖叶华

双月刊

1004-9541

64980783@126.com

010-64980783

100011

北京东城区青年湖南街13号

中国化学工程学报（英文版）/Journal Chinese Journal of Chemical EngineeringCSCDCSTPCD北大核心EISCI
查看更多>>The Chinese Journal of Chemical Engineering (Bimonthly, started in 1982) is the official journal of the Chemical Industry and Engineering Society of China and published by the Chemical Industry Press. The aim of the journal is to develop the international exchange of scientific and technical information in the field of chemical engineering. It publishes original research papers that cover the major advancements and achievements in chemical engineering in China as well as some articles from overseas contributors. The topics of journal include chemical engineering, chemical technology, biochemical engineering, energy and environmental engineering and other relevant fields. Papers are published on the basis of their relevance to theoretical research, practical application or potential uses in the industry as Research Papers, Research Notes, Chemical Engineering Data and Reviews. Prominent domestic and overseas chemical experts and scholars have been invited to form an International Advisory Board and the Editorial Committee. It enjoys recognition among Chinese academia and industry as a reliable source of information of what is going on in chemical engineering research, both domestic and abroad.
正式出版
收录年代

    Tandem hydroalkylation and deoxygenation of lignin-derived phenolics to synthesize high-density fuels

    Rui YuZhensheng ShenYanan LiuChengxiang Shi...
    104-109页
    查看更多>>摘要：Lignin is the most abundant naturally phenolic biomass,and the synthesis of high-performance renewable fuel from lignin has attracted significant attention.We propose the efficient synthesis of high-density fuels using simulated lignin cracked oil in tandem with hydroalkylation and deoxygenation reactions.First,we investigated the reaction pathway for the hydroalkylation of phenol,which competes with the hydrodeoxygenation form cyclohexane.And then,we investigated the effects of metal catalyst types,the loading amount of metallic,acid dosage,and reactant ratio on the reaction results.The phenol hydroalkylation and hydrodeoxygenation were balanced when 180 ℃ and 5 MPa H2 with the alkanes yield of 95％.By extending the substrate to other lignin-derived phenolics and simulated lignin cracked oil,we obtained the polycyclic alkane fuel with high density of 0.918 g-ml-1 and calorific value of 41.2 MJ L-1.Besides,the fuel has good low-temperature properties(viscosity of 9.3 mm2.s-1 at 20 ℃ and freezing point below-55 ℃),which is expected to be used as jet fuel.This work provides a promising way for the easy and green production of high-density fuel directly from real lignin oil.
      原文链接:
    • NETL
    • NSTL
    • 万方数据
    • 维普

    Upper-rim-modified thioether thiacalix[4]arene used for liquid-liquid extraction of Au(Ⅲ)and Pd(Ⅱ)in hydrochloric acid medium

    Sheng WanRong XieJianhong FanKewen Tang...
    110-118页
    查看更多>>摘要：Gold(Au)and palladium(Pd)play an increasing role in the production and human life;Therefore,it is of great significance to study their recovery.A 5,11,17,23-tetra-ethylthio-25,26,27,28-tetra-hydroxyl thia-calix[4]arene(TCAET)was synthesized specifically for the capture of Au(Ⅲ)and Pd(Ⅱ)from HCl medium by liquid-liquid extraction.In a 0.1 mol L-1 HCl medium,the transfer of Au(Ⅲ)and Pd(Ⅱ)from the aqueous phase to the organic phase was highly efficient,with a transfer ratio of 100％for Au(Ⅲ)and 98％for Pd(Ⅱ).Furthermore,the extraction equilibrium time for Au(Ⅲ)was just 5 min.Job's method data demonstrated that TCAET formed complexes with Au(Ⅲ)and Pd(Ⅱ)in a ratio of 2∶3 and 1∶1,respectively,during the extraction process.TCAET showed high selectivity toward Pd(Ⅱ)and Au(Ⅲ)over other competing metal ions.Moreover,both Au(Ⅲ)and Pd(Ⅱ)could be successfully stripped from the loaded organic phases with a 1.0 mol·L-1 thiourea in 0.5 mol·L-1 HCl and 0.5 mol·L-1 thiourea in 0.5 mol·L-1 HCl,respectively.Results obtained from five consecutive extraction-stripping cycles showed good reusability of TCAET toward Au(Ⅲ)and Pd(Ⅱ)recovery.The conclusion can provide a certain reference for thiacalixarene in the recovery of precious metal species.
      原文链接:
    • NETL
    • NSTL
    • 万方数据
    • 维普

    Assessing mixing uniformity in microreactors via in-line spectroscopy

    Shusaku AsanoShinji KudoTaisuke MakiYosuke Muranaka...
    119-124页
    查看更多>>摘要：Mixing behavior is critical for enhancing the selectivity of fast chemical reactions in microreactors.A high Reynolds number(Re)improves the mixing rate and selectivity of the reactions,but some exceptions of increasing side product yield with the higher Re have been reported.This study investigated the mixing uniformity in microreactors with in-line UV-vis spectroscopy to clarify the relationship between reac-tion selectivity and chaotic mixing with the higher Re.A colorization experiment of thymolphthalein in an acidic solution was conducted with an excess acid amount to the base to indicate a non-uniformly mixed region.Non-uniformity significantly increased with Re.At the same time,the degree of mixing,which was measured by a usual decolorization experiment,showed that the mixing rate increased with Re.The in-line analysis of the Villermaux-Dushman reaction during the mixing clarified that side product yield significantly increased with Re at around 300 and then decreased at around 1100.These results suggest the compensation effect between the mixing uniformity and mixing rate on the selec-tivity of the mixing-sensitive reactions.Faster mixing,characterized by a larger Re,can disturb mixing uniformity and,in some cases,decrease reaction selectivity.
      原文链接:
    • NETL
    • NSTL
    • 万方数据
    • 维普

    Absorption characteristics,model,and molecular mechanism of hydrogen sulfide in morpholine acetate aqueous solution

    Hongwei JinYun TengKangkang LiZhou Feng...
    125-135页
    查看更多>>摘要：The solubility of H2S was measured in solutions of N-butyl-N-methylmorpholine acetate([Bmmorp][Ac])containing 20％-40％(mass)water at experimental temperatures ranged from 298.15 to 328.15 K and pressures up to 320 kPa.The total solubility of H2S increased with higher temperatures,lower pressures,and reduced water content.The reaction equilibrium thermodynamic model was used to correlate the solubility data.The results indicate that the chemical reaction equilibrium constant decrease with increasing water content and temperature,whereas Henry constant increase with increasing water content and temperature.Compared with other ionic liquids,H2S exhibits a higher physical absorption enthalpy and a lower chemical absorption enthalpy in[Bmmorp][Ac]aqueous solution.This suggests that[Bmmorp][Ac]has a strong physical affinity for H2S and low energy requirement for desorption.Quantum chemical methods were used to investigate the molecular mechanism of H2S absorption in ionic liquids.The interaction energy analysis revealed that the binding of H2S with the ionic liquid in a 1:2 ratio is more stable.Detailed analyses by the methods of the interaction region indicator and the atoms in molecules were conducted to the interactions between H2S and the ionic liquid.
      原文链接:
    • NETL
    • NSTL
    • 万方数据
    • 维普

    HZSM-5 zeolites undergoing the high-temperature process for boosting the bimolecular reaction in n-heptane catalytic cracking

    Chenggong SongZhenzhou MaXu HouHao Zhou...
    136-144页
    查看更多>>摘要：High-temperature treatment is key to the preparation of zeolite catalysts.Herein,the effects of high-temperature treatment on the property and performance of HZSM-5 zeolites were studied in this work.X-Ray diffraction,N2 physisorption,27Al magic angle spinning nuclear magnetic resonance(MAS NMR),and temperature-programmed desorption of ammonia results indicated that the high-temperature treatment at 650 ℃ hardly affected the inherent crystal and texture of HZSM-5 zeolites but facilitated the conversion of framework Al to extra-framework Al,reducing the acid site and enhancing the acid strength.Moreover,the high-temperature treatment improved the performance of HZSM-5 zeolites in n-heptane catalytic cracking,promoting the conversion and light olefins yield while inhibiting coke formation.Based on the kinetic and mechanism analysis,the improvement of HZSM-5 performance caused by high-temperature treatment has been attributed to the formation of extra-framework Al,which enhanced the acid strength,facilitated the bimolecular reaction,and pro-moted the entropy change to overcome a higher energy barrier in n-heptane catalytic cracking.
      原文链接:
    • NETL
    • NSTL
    • 万方数据
    • 维普

    Cascade equilibrium stage relaxation method by introducing equilibrium efficiency parameter

    Xuepu CaoShengkun JiaXing QianYiqing Luo...
    145-156页
    查看更多>>摘要：Optimizing multistage processes,such as distillation or absorption,is a complex mixed-integer nonlinear programming(MINLP)problem.Relaxing integer into continuous variables and solving the easier nonlinear programming(NLP)problem is an optimization idea for the multistage process.In this article,we propose a relaxation method based on the efficiency parameter.When the efficiency parameter is 1 or 0,the proposed model is equivalent to the complete existence or inexistence of the equilibrium stage.And non-integer efficiency represents partial existence.A multi-component absorption case shows a natural penalty for non-integer efficiency,which can assist the efficiency parameter converging to 0 or 1.However,its penalty is weaker than the existing relaxation models,such as the bypass efficiency model.In a simple distillation case,we show that this property can weaken the nonconvexity of the optimization problem and increase the probability of obtaining better optimization results.
      原文链接:
    • NETL
    • NSTL
    • 万方数据
    • 维普

    Hollow ZIF-67-derived Co@N-doped carbon nanotubes boosting the hydrogenation of phenolic compounds to alcohols

    Zhihao GuoJiuxuan ZhangLanlan ChenChaoqun Fan...
    157-166页
    查看更多>>摘要：The selective hydrogenation of highly toxic phenolic compounds to generate alcohols with thermal stability,environmental friendliness,and non-toxicity is of great importance.Herein,a series of Co-based catalysts,named Co@NCNTs,were designed and constructed by direct pyrolysis of hollow ZIF-67(HZIF-67)under H2/Ar atmosphere.The evolution of the catalyst surface from the shell layer assembled by ZIF-67-derived particles to the in situ-grown hollow nitrogen-doped carbon nanotubes(NCNTs)with certain length and density is achieved by adjusting the pyrolysis atmosphere and temperature.Due to the synergistic effects of in situ-formed hollow NCNTs,well-dispersed Co nanoparticles,and intact carbon matrix,the as-prepared Co@NCNTs-0.10-450 catalyst exhibits superior catalytic performance in the hydrogenation of phenolic compounds to alcohols.The turnover frequency value of Co@NCNTs-0.10-450 is 3.52 h-1,5.9 times higher than that of Co@NCNTs-0.40-450 and 4.5 times higher than that of Co@NCNTs-0.10-550,exceeding most previously reported non-noble metal catalysts.Our findings pro-vide new insights into the development of non-precious metal,efficient,and cost-effective metal-organic framework-derived catalysts for the hydrogenation of phenolic compounds to alcohols.
      原文链接:
    • NETL
    • NSTL
    • 万方数据
    • 维普

    Operational optimization of copper flotation process based on the weighted Gaussian process regression and index-oriented adaptive differential evolution algorithm

    Zhiqiang WangDakuo HeHaotian Nie
    167-179页
    查看更多>>摘要：Concentrate copper grade(CCG)is one of the important production indicators of copper flotation pro-cesses,and keeping the CCG at the set value is of great significance to the economic benefit of copper flotation industrial processes.This paper addresses the fluctuation problem of CCG through an opera-tional optimization method.Firstly,a density-based affinity propagationalgorithm is proposed so that more ideal working condition categories can be obtained for the complex raw ore properties.Next,a Bayesian network(BN)is applied to explore the relationship between the operational variables and the CCG.Based on the analysis results of BN,a weighted Gaussian process regression model is constructed to predict the CCG that a higher prediction accuracy can be obtained.To ensure the predicted CCG is close to the set value with a smaller magnitude of the operation adjustments and a smaller uncertainty of the prediction results,an index-oriented adaptive differential evolution(IOADE)algorithm is proposed,and the convergence performance of IOADE is superior to the traditional differential evolution and adaptive differential evolution methods.Finally,the effectiveness and feasibility of the proposed methods are verified by the experiments on a copper flotation industrial process.
      原文链接:
    • NETL
    • NSTL
    • 万方数据
    • 维普

    Solvent effects on Diels-Alder reaction in ionic liquids:A reaction density functional study

    Zijiang DouWeiqiang TangPeng XieShuangliang Zhao...
    180-188页
    查看更多>>摘要：Extensive experimental studies have been performed on the Diels-Alder(DA)reactions in ionic liquids(ILs),which demonstrate that the IL environment can significantly influence the reaction rates and selectivity.However,the underlying microscopic mechanism remains ambiguous.In this work,the mul-tiscale reaction density functional theory is applied to explore the effect of 1-butyl-3-methylimidazolium hexafluorophosphate([BMIM][PF6])solventon the reaction of cyclopentadiene(CP)with acrolein,methyl acrylate,or acrylonitrile.By analyzing the free energy landscape during the reaction,it is found that the polarization effect has a relatively small influence,while the solvation effect makes both the activation free energy and reaction free energy decrease.In addition,the rearrangement of local solvent structure shows that the cation spatial distribution responds more evidently to the reaction than the anion,and this in-dicates that the cation plays a dominant role in the solvation effect and so as to affect the reaction rates and selectivity of the DA reactions.
      原文链接:
    • NETL
    • NSTL
    • 万方数据
    • 维普

    Evaluating two stages of silicone-containing arylene resin oxidation via experiment and molecular simulation

    Jiangtao CaiQingfu HuangHuan ChenTao Zhang...
    189-202页
    查看更多>>摘要：Silicon-containing aryl acetylene resin(PSA)is a new type of high-temperature resistant resin with excellent oxidation resistance,whereas antioxidant reaction mechanism of PSA resin under ultra-high temperatures still remains unclear.Herein,the oxidation behavior and mechanisms of PSA resin are systematically investigated combining kinetic analysis and ReaxFF molecular dynamics(MD)simula-tions.Thermogravimetric analysis indicates that the oxidation process of PSA resin undergoes two main steps:oxidative mass gain and oxidative degradation.The distributed activation energy model(DAEM)is employed for describing oxidation processes and the best-fit one is obtained using genetic algorithms and differential evolution.DAEM model demonstrates that the oxidative weight gain stage is dominated by two virtual reactants and the oxidative degradation stage consists of three virtual reactants.Corre-spondingly,the observation of MD reaction pathways indicates that oxygen oxidation of unsaturated structures occurs in the initial stage,which results in the formation of PSA resin oxides.Furthermore,cracked pieces react with O2 to generate CO and other chemicals in the second step.The resin matrix's great antioxidation resilience is illustrated by the formation of SiO2.The analysis based on MD simula-tions exhibits an efficient computational proof with the experiments and DAEM methods.Based on the results,a two-stage reaction mechanism is proposed,which provides important theoretical support for the subsequent study of the oxidation behavior of silica-based resins.
      原文链接:
    • NETL
    • NSTL
    • 万方数据
    • 维普