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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

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1004-9541

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010-64980783

100011

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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.
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    Hybrid modeling for carbon monoxide gas-phase catalytic coupling to synthesize dimethyl oxalate process

    Shida GaoCuimei BoChao JiangQuanling Zhang...
    234-250页
    查看更多>>摘要：Ethylene glycol (EG) plays a pivotal role as a primary raw material in the polyester industry, and the syngas-to-EG route has become a significant technical route in production. The carbon monoxide (CO) gas-phase catalytic coupling to synthesize dimethyl oxalate (DMO) is a crucial process in the syngas-to-EG route, whereby the composition of the reactor outlet exerts influence on the ultimate quality of the EG product and the energy consumption during the subsequent separation process. However, measuring product quality in real time or establishing accurate dynamic mechanism models is challenging. To effectively model the DMO synthesis process, this study proposes a hybrid modeling strategy that in-tegrates process mechanisms and data-driven approaches. The CO gas-phase catalytic coupling mech-anism model is developed based on intrinsic kinetics and material balance, while a long short-term memory (LSTM) neural network is employed to predict the macroscopic reaction rate by leveraging temporal relationships derived from archived measurements. The proposed model is trained semi-supervised to accommodate limited-label data scenarios, leveraging historical data. By integrating these predictions with the mechanism model, the hybrid modeling approach provides reliable and interpretable forecasts of mass fractions. Empirical investigations unequivocally validate the superiority of the proposed hybrid modeling approach over conventional data-driven models (DDMs) and other hybrid modeling techniques.
      原文链接:
    • 万方数据
    • 维普

    Real-time model correction using Kalman filter for Raman-controlled cell culture processes

    Xiaoxiao DongZhuohong HeXu YanDong Gao...
    251-260页
    查看更多>>摘要：Raman spectroscopy has found extensive use in monitoring and controlling cell culture processes. In this context, the prediction accuracy of Raman-based models is of paramount importance. However, models established with data from manually fed-batch cultures often exhibit poor performance in Raman-controlled cultures. Thus, there is a need for effective methods to rectify these models. The objective of this paper is to investigate the efficacy of Kalman filter (KF) algorithm in correcting Raman-based models during cell culture. Initially, partial least squares (PLS) models for different components were constructed using data from manually fed-batch cultures, and the predictive performance of these models was compared. Subsequently, various correction methods including the PLS-KF-KF method proposed in this study were employed to refine the PLS models. Finally, a case study involving the auto-control of glucose concentration demonstrated the application of optimal model correction method. The results indicated that the original PLS models exhibited differential performance between manually fed-batch cultures and Raman-controlled cultures. For glucose, the root mean square error of prediction (RMSEP) of manually fed-batch culture and Raman-controlled culture was 0.23 and 0.40 g·L-1. With the implementation of model correction methods, there was a significant improvement in model perfor-mance within Raman-controlled cultures. The RMSEP for glucose from updating-PLS, KF-PLS, and PLS-KF-KF was 0.38, 0.36 and 0.17 g·L-1, respectively. Notably, the proposed PLS-KF-KF model correction method was found to be more effective and stable, playing a vital role in the automated nutrient feeding of cell cultures.
      原文链接:
    • 万方数据
    • 维普

    Hydrodechlorination of trifluoro-trichloroethane to chlorotrifluoroethylene: Revealing the deactivation mechanism and regeneration strategy of Pd-Cu/AC catalyst

    Song TianYicheng ChenXiaoyu WenBingcheng Li...
    261-268页
    查看更多>>摘要：Chlorotrifluoroethylene (CTFE) is a vital fluorinated olefinic monomer produced through the catalytic hydrodechlorination of trichlorotrifluoroethane (CFC-113), an eco-friendly process. However, hydro-dechlorination catalysts for olefin production often suffer from poor stability. The Pd/AC catalyst and Pd-Cu/AC catalyst prepared by co-impregnation method exhibited poor stability, Pd-Cu/AC catalyst with CFC-113 conversion dropping to around 37％ after 50 h of hydrodechlorination reaction. Brunauer-Emmett-Teller, transmission electron microscopy, X-ray photoelectron spectroscopy, and X-ray diffrac-tion of fresh and deactivated Pd/AC catalysts indicate that the deactivation of Pd/AC catalysts is due to high-temperature agglomeration of Pd. Comparative analysis of fresh and deactivated Pd-Cu/AC cata-lysts using Brunauer-Emmett-Teller, transmission electron microscopy, and thermogravimetric analysis techniques revealed decreased dispersion of active sites, reduced surface area, catalyst aggregation deactivation, and a significant decrease in Cu content. Furthermore, the results of NH3-TPD revealed that the acid sites of the catalyst increased significantly. X-ray diffraction spectra indicated the formation of new species, basic copper chloride (Cu2(OH)3Cl), during the reaction. As the reaction progressed, these new species agglomerated, leading to a gradual loss of catalyst activity. Moreover, the deactivated catalyst was successfully reactivated using a simple alkaline washing method.
      原文链接:
    • 万方数据

    Study on thermal decomposition kinetics of azobenzene-4,4'-dicarboxylic acid by using compensation parameter method and nonlinear fitting evaluation

    Shuyi ShenSong GuoSining ChenJinhua Zhao...
    269-279页
    查看更多>>摘要：Recently, azobenzene-4,4'-dicarboxylic acid (ADCA) has been produced gradually for use as an organic synthesis or pharmaceutical intermediate due to its eminent performance. With large quantities put into application in the future, the thermal stability of this substance during storage, transportation, and use will become quite important. Thus, in this work, the thermal decomposition behavior, thermal decom-position kinetics, and thermal hazard of ADCA were investigated. Experiments were conducted by using a SENSYS evo DSC device. A combination of differential iso-conversion method, compensation parameter method, and nonlinear fitting evaluation were also used to analyze thermal kinetics and mechanism of ADCA decomposition. The results show that when conversion rate a increases, the acti-vation energies of ADCA's first and main decomposition peaks fall. The amount of heat released during decomposition varies between 182.46 and 231.16 J·g-1. The proposed kinetic equation is based on the Avrami-Erofeev model, which is consistent with the decomposition progress. Applying the Frank-Kamenetskii model, a calculated self-accelerating decomposition temperature of 287.0 ℃ is obtained.
      原文链接:
    • 万方数据

    Solvothermal synthesis and adsorption performance of layered boehmite using aluminum chloride and high-alumina fly ash

    Jing WenRuirui YuanTao JiangTangxia Yu...
    280-290页
    查看更多>>摘要：High alumina fly ash (FAHAl) is a kind of bulk solid waste unique to China, whose availability of high-value aluminum and the threat to the environment makes its high-value utilization urgent. In this work, the alumina containing leaching solution obtained from Na2CO3 roasting and HCl leaching of FAHAl was used as the mother liquor to prepare layered boehmite in situ. The preparation process with AlCl3 as the raw material was also compared. The formation process and mechanism of boehmite, the choice of solvent, along with the adsorption capability of Congo red were analyzed by X-ray diffraction, scanning electron microscopy, Fourier transform infrared spectroscopy, Brunauer-Emmett-Teller method and adsorption experiments. Results showed that during the preparation of layered boehmite, the precursor Al(OH)3 from the reaction of Al3+ and OH- is transformed into boehmite γ-AlOOH. The existence of ethanol is beneficial to regulate and promote the growth of boehmite crystal effectively. When water and ethanol are mixed with a volume ratio of 2:1 and used as the solvent, the maximum specific surface area of the boehmite is obtained at 135.7 m2·g-1, and 99.16％of Congo red can be absorbed after 10 min when AlCl3 is used as a raw material. As purified leaching solution is used as the mother liquid, the crystallinity of boehmite decreases slightly when the pH value decreases from 12.5 to 11. When pH is 11, the removal efficiency of Congo red reaches a maximum of 72.25％. This process not only achieves the extraction of aluminum and high-value utilization of FAHAl but also provides a thought to prepare layered boehmite with adsorption properties.
      原文链接:
    • 万方数据
    • 维普