Chinese Journal of Chemical Engineering最新文献

Study on properties of nanoemulsion prepared by an oil-soluble amide surfactant and its application in enhanced oil recovery 油溶性酰胺表面活性剂制备纳米乳的性能及其在提高采收率中的应用研究

IF 3.5 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2026-10-01 Epub Date: 2026-04-07 DOI: 10.1016/j.cjche.2026.03.003

Mingyu Yu, Haoran Yin, Lin Chen, Yong Sha

{"title":"Study on properties of nanoemulsion prepared by an oil-soluble amide surfactant and its application in enhanced oil recovery","authors":"Mingyu Yu, Haoran Yin, Lin Chen, Yong Sha","doi":"10.1016/j.cjche.2026.03.003","DOIUrl":"10.1016/j.cjche.2026.03.003","url":null,"abstract":"<div><div>In recent years, the application of nanotechnology in the oil and gas industry has attracted widespread attention. In this study, an efficient high-temperature high-pressure method was employed to synthesize an environmentally friendly nonionic amide surfactant, <em>N</em>, <em>N</em>-dimethyl oleamide (DMOA), which exhibits excellent oil solubility. To enhance crude oil recovery, DMOA was used as a functional oil phase and combined with the water-soluble nonionic surfactant fatty alcohol polyoxyethylene ether-9 (AEO<sub>9</sub>) to prepare a small-droplet-size and highly stable O/W nanoemulsion <em>via</em> the phase inversion composition method. The oil displacement performance of the nanoemulsion was investigated in detail. Spontaneous imbibition experiments on rock cores showed that a nanoemulsion with a mass concentration of 0.1% achieved a crude oil recovery rate of 54.6%, which was higher than those obtained with an AEO<sub>9</sub> aqueous solution and pure water at the same concentration. This improvement can be attributed to the remarkable ability of the nanoemulsion to alter the wettability of the rock surface and reduce the oil-water interfacial tension. The 0.1% nanoemulsion can reduce the oil-water interfacial tension to the order of 10<sup>−1</sup> mN·m<sup>−1</sup> and decrease the water contact angle on an oil-saturated rock surface from 108° to 35°, and it indicated a shift from oil-wet to water-wet wettability for the rock core. The developed nanoemulsion based on this oil-soluble nonionic amide surfactant provides new insights into the application of nanotechnology for enhancing oil recovery.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"98 ","pages":"Pages 61-71"},"PeriodicalIF":3.5,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149214278","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Modeling and multi-objective optimization of high-gravity H2S removal using an interpretable Bayesian-fuzzy model 基于可解释贝叶斯模糊模型的高重力H2S脱除建模及多目标优化

IF 3.5 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2026-10-01 Epub Date: 2026-04-08 DOI: 10.1016/j.cjche.2026.02.010

Xinhu Sun, Haoxiang Lu, Zhi Qian

{"title":"Modeling and multi-objective optimization of high-gravity H2S removal using an interpretable Bayesian-fuzzy model","authors":"Xinhu Sun, Haoxiang Lu, Zhi Qian","doi":"10.1016/j.cjche.2026.02.010","DOIUrl":"10.1016/j.cjche.2026.02.010","url":null,"abstract":"<div><div>High-gravity desulfurization represents a disruptive desulfurization technology. However, mass transfer reactions under high-gravity conditions are highly coupled with multiple variables, making it difficult for traditional mass transfer mechanism models to accurately describe this process. Here, we propose a modeling method based on a State-Adaptive Neuro-Fuzzy Inference System (S-ANFIS) that is optimized using Bayesian Feature Selection (BFS) to address the problem of multi-parameter coupling. The core innovation of this method lies in its two-stage approach: first, it employs a Bayesian probabilistic framework to automatically identify and classify input variables, decomposing the traditional single input space into two functionally distinct subspaces: state variables (for system state identification) and explanatory variables (for output prediction). Then, leveraging fuzzy modeling to construct IF-THEN rules, a Bayesian feature selection algorithm automatically determines the optimal variable classification scheme in a data-driven manner, avoiding the subjectivity and limitations of expert experience. Industrial validation conducted on a high-gravity desulfurization unit at a chemical plant demonstrated that the BFS-S-ANFIS method significantly outperforms traditional modeling approaches. The model’s results show a high degree of agreement with experimental data, achieving an <em>R</em><sup>2</sup> of up to 0.974 and an RMSE of 2.077 ×10<sup>−6</sup>. Furthermore, because the model’s decisions rely on transparent fuzzy sub-rules, it possesses rich interpretability. This high-precision and high-fidelity surrogate model enables the design of optimization and control strategies that also exhibit excellent performance.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"98 ","pages":"Pages 12-24"},"PeriodicalIF":3.5,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149214264","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Flexible in–plane micro–supercapacitors with high performance based on printable RGO/MoS2 heterostructure ink 基于可打印RGO/MoS2异质结构油墨的高性能柔性平面内微型超级电容器

IF 3.5 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2026-10-01 Epub Date: 2026-06-24 DOI: 10.1016/j.cjche.2026.01.028

Bin Li, Maoshu Yin, Xianglei Shi, Zhanfei Zhang, Zhejun Guo, Lingli Wang, Liying Jiang, Zijiong Li, Min Sun, Zhi Yang, Nantao Hu, Lijie Sun

{"title":"Flexible in–plane micro–supercapacitors with high performance based on printable RGO/MoS2 heterostructure ink","authors":"Bin Li, Maoshu Yin, Xianglei Shi, Zhanfei Zhang, Zhejun Guo, Lingli Wang, Liying Jiang, Zijiong Li, Min Sun, Zhi Yang, Nantao Hu, Lijie Sun","doi":"10.1016/j.cjche.2026.01.028","DOIUrl":"10.1016/j.cjche.2026.01.028","url":null,"abstract":"<div><div>Micro–supercapacitors (MSCs) based on graphene have gained substantial attraction in flexible energy storage devices. Nevertheless, owing to the van der Waals interactions between graphene, the stacking issues can significantly block the ion and electron transport, resulting in poor electrochemical performances. Herein, inkjet–printing heterostructures of reduced graphene oxide/molybdenum disulfide (RGO/MoS<sub>2</sub>) binary nanosheets was demonstrated for high–performance flexible MSCs. The pre–printed PEDOT: PSS organic film can greatly improve the conductivity of the interdigital electrodes. The RGO/MoS<sub>2</sub> heterostructure thin film electrodes with different layers were simultaneously printed on the conductive film, respectively. Accordingly, the internal resistance and performance of MSCs has been significantly improved due to their synergistic effect. The assembled MSCs delivered a maximum areal capacity value (557 μF·cm<sup>−2</sup>) at 4 μA·cm<sup>−2</sup>. Notably, the maximum areal energy density and power density of MSCs are 0.04 μWh<strong>·</strong>cm<sup>−2</sup> and 0.003 mW·cm<sup>−2</sup>, respectively. Moreover, the MSCs manifested a good cycle stability with a capacity retention rate of 88.7% after 10000 cycles. The six MSCs connected in series can power a blue light–emitting diode light for 1 min. Therefore, the approach combining layered RGO with MoS<sub>2</sub> by inkjet printing can offer distinctive insights into the flexible energy storage systems with high power density.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"98 ","pages":"Pages 25-34"},"PeriodicalIF":3.5,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149214274","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Advanced phase-targeted flame retardancy and efficient smoke suppression via a dual-valent phosphorus strategy in polyurethane composites 双价磷策略在聚氨酯复合材料中的先进相定向阻燃和高效抑烟研究

IF 3.5 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2026-10-01 Epub Date: 2026-05-14 DOI: 10.1016/j.cjche.2026.03.030

Haodong Chen, Jingwen Wang, Yapeng Zheng, Tianyang Cui, Wu Xu

{"title":"Advanced phase-targeted flame retardancy and efficient smoke suppression via a dual-valent phosphorus strategy in polyurethane composites","authors":"Haodong Chen, Jingwen Wang, Yapeng Zheng, Tianyang Cui, Wu Xu","doi":"10.1016/j.cjche.2026.03.030","DOIUrl":"10.1016/j.cjche.2026.03.030","url":null,"abstract":"<div><div>Polyurethane (PU) is widely utilized in smart wearables, flexible electronics, electric vehicle battery sealing, and protective equipment owing to its excellent mechanical performance, weatherability, and processability. Nevertheless, the intrinsic flammability of PU significantly restricts its practical utilization under extreme conditions. In this work, a dynamically cross–linked PU composites were synthesized from imidazolidinyl urea, isophorone diisocyanate, polycaprolactone, and polypropylene glycol, and modified with a dual-valent phosphorus flame–retardant system (PAAD) composed of piperazine pyrophosphate (PAPP, P(V)) and aluminum diethylphosphinate (ADP, P(I)). At a PAAD loading of 25% (mass), the peak heat release rate (PHRR), total heat release (THR), and total smoke production (TSP) were decreased by 53.2%, 34.8%, and 76.5%, respectively. Thermogravimetric-infrared spectroscopy (TG–IR) and X-ray photoelectron spectroscopy (XPS) analyses further revealed that phosphorus-containing radicals contributed to gas–phase inhibition, whereas phosphorus–rich compounds facilitated the formation of a dense and continuous char layer. This study establishes a dual–valent phosphorus strategy for achieving efficient gas/condensed phase flame retardancy in PU elastomers, providing new insights for designing high–performance, halogen-free flame-retardant composites.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"98 ","pages":"Pages 72-84"},"PeriodicalIF":3.5,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149214275","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Evaluating coal-based methanol production integrated with green hydrogen: Regional insights from China's energy transition 与绿色氢相结合的煤基甲醇生产评估：来自中国能源转型的区域洞察

IF 3.5 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2026-10-01 Epub Date: 2026-06-19 DOI: 10.1016/j.cjche.2026.03.044

Xiong Wei, Xiangyang Ma, Binghui Chen, Wei Wu

{"title":"Evaluating coal-based methanol production integrated with green hydrogen: Regional insights from China's energy transition","authors":"Xiong Wei, Xiangyang Ma, Binghui Chen, Wei Wu","doi":"10.1016/j.cjche.2026.03.044","DOIUrl":"10.1016/j.cjche.2026.03.044","url":null,"abstract":"<div><div>The integration of green hydrogen into industry processes is a key decarbonization pathway at the current stage. This study investigates the techno-economic feasibility of integrating green hydrogen with coal-to-methanol production (CTM-GH), which considers the output curve of wind and solar power over 8760 h as well as the accommodation capacity of the electricity market. Life-cycle assessments between conventional CTM and CTM-GH were performed for the four major CTM production regions - Xinjiang, Ningxia, Shaanxi, and Inner Mongolia. Results indicate that the CTM-GH configuration improves overall energy efficiency and methanol yield relative to conventional CTM, while its economic competitiveness remains constrained by high capital investment in renewable infrastructure. In the grid-connected renewable hydrogen systems, the cost of green hydrogen ranges from 12.08 to 14.7 CNY·kg<sup>−1</sup>, and the levelized cost of methanol ranges from 1914 to 2461 CNY·t<sup>−1</sup>. Compared to the conventional CTM process, the life cycle carbon emission of CTM-GH decreased by 51.3% to 62.4%, whereas the LCOM increased by 17.2% to 46.7%. Alternatively, a carbon price exceeding 277 CNY/tonne would independently trigger the CTM-GH to economic viability.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"98 ","pages":"Pages 42-60"},"PeriodicalIF":3.5,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149214095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Ibuprofen-based ionic liquids enable active chitosan composite films for strawberry preservation 基于布洛芬的离子液体制备了草莓保鲜用活性壳聚糖复合膜

IF 3.5 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2026-10-01 Epub Date: 2026-05-21 DOI: 10.1016/j.cjche.2026.03.034

Menghan Li, Tianxiang Yin, Jialin Shi, Honglai Liu

{"title":"Ibuprofen-based ionic liquids enable active chitosan composite films for strawberry preservation","authors":"Menghan Li, Tianxiang Yin, Jialin Shi, Honglai Liu","doi":"10.1016/j.cjche.2026.03.034","DOIUrl":"10.1016/j.cjche.2026.03.034","url":null,"abstract":"<div><div>Ionic liquids (ILs) derived from active pharmaceutical ingredients (APIs) offer a tunable route to active food-contact materials. In this study, we synthesized two ibuprofen-based ILs (Ibu-ILs), <em>N</em>,<em>N</em>-dimethyl-<em>N</em>,<em>N</em><em>-</em>didecylammonium ibuprofenate ([N<sub>1,1,10,10</sub>][Ibu]) and <em>N</em>,<em>N</em>-dimethyl-<em>N</em>,<em>N</em>-didodecylammonium ibuprofenate ([N<sub>1,1,12,12</sub>][Ibu]), and examined how alkyl-chain length controls solubility, cytotoxicity, and self-assembly. Both ILs show higher aqueous solubility than ibuprofen, with longer chains decreasing solubility but stronger self-assembly. Conductometric data indicate spontaneous, predominantly entropy-driven micellization with a non-monotonic critical micellization concentration (CMC)-temperature profile. The solutions of ILs were incorporated into chitosan/gelatin (CS/GE) and chitosan/poly(vinyl alcohol) (CS/PVA) films. Relative to ibuprofen-only controls, Ibu-based IL-loaded films exhibited stronger DPPH (2,2-diphenyl-1-picrylhydrazyl) radical scavenging and showed larger inhibition zones against <em>Staphylococcus aureus</em>. In a room-temperature strawberry test, CS/GE-[N<sub>1,1,12,12</sub>][Ibu] film showed the best preservation effect, with a mass loss rate of only 10.53% ± 1.50% after 7 days, which was significantly lower than that of the control group (42.44% ± 3.60%). These results link alkyl-chain engineering of API-ILs (active pharmaceutical ingredient-based ionic liquids) to micellization and preservation efficacy, and position Ibu-based ILs as multifunctional additives for active chitosan composite films.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"98 ","pages":"Pages 35-41"},"PeriodicalIF":3.5,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149214276","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Regulating co–crystalline phosphorus content in wet–process phosphoric acid via synergistic calcium sulfate crystallization and hydration 通过协同硫酸钙结晶水化调节湿法磷酸共晶磷含量

IF 3.5 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2026-10-01 Epub Date: 2026-03-12 DOI: 10.1016/j.cjche.2026.02.004

Xinyue Deng, Shiqin Yin, Shengwei Tang, Li Lv, Tao Zhang

{"title":"Regulating co–crystalline phosphorus content in wet–process phosphoric acid via synergistic calcium sulfate crystallization and hydration","authors":"Xinyue Deng, Shiqin Yin, Shengwei Tang, Li Lv, Tao Zhang","doi":"10.1016/j.cjche.2026.02.004","DOIUrl":"10.1016/j.cjche.2026.02.004","url":null,"abstract":"<div><div>In the phosphorus–sulfur two–step wet phosphoric acid process, the impurities such as Si, P, F, and Fe can be excluded from the phosphogypsum (PG). However, co–crystalline phosphorus inevitably incorporates into PG. The co–crystalline content was regulated by forming hemihydrate gypsum (HH) and subsequently transforming it into dihydrate gypsum (DH). The process parameters and the regulation mechanism were systematically investigated. Under the optimal parameters in the gypsum precipitation process, the resulting HH contained 1.87% co–crystalline phosphorus. After transformation into DH, the co–crystalline phosphorus content was reduced to 0.71%. The results of FT–IR and XPS revealed that the co–crystalline phosphorus existed as HPO<sub>4</sub><sup>2−</sup> in both HH and DH. Furthermore, Density functional theory (DFT) calculations further demonstrated that the absolute value of the adsorption energy of HPO<sub>4</sub><sup>2−</sup> on the HH (400) surface was significantly larger than that on the DH (020) surface, indicating that formation of co–crystalline phosphorus was more favorable in HH. Without introducing any external additives, this process successfully reduced the co–crystalline phosphorus content in PG to below 0.71%. This study provides a comprehensive theoretical basis for understanding the regulation mechanism of co–crystalline phosphorus in PG.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"98 ","pages":"Pages 1-11"},"PeriodicalIF":3.5,"publicationDate":"2026-10-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"149214277","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Photocured polydimethylsiloxane membranes enabled by low-migration and high-compatibility photo-initiators for enhanced furfural pervaporation 低迁移和高相容性光引发剂增强糠醛渗透汽化的光固化聚二甲基硅氧烷膜

IF 3.5 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2026-09-01 Epub Date: 2026-08-12 DOI: 10.1016/j.cjche.2026.07.024

Qixin Ren, Yan Zhuang, Songyuan Yao, Siyu Pang, Guochao Ding, Kai Wang, Lei Jiang, Zhihao Si, Peiyong Qin

{"title":"Photocured polydimethylsiloxane membranes enabled by low-migration and high-compatibility photo-initiators for enhanced furfural pervaporation","authors":"Qixin Ren, Yan Zhuang, Songyuan Yao, Siyu Pang, Guochao Ding, Kai Wang, Lei Jiang, Zhihao Si, Peiyong Qin","doi":"10.1016/j.cjche.2026.07.024","DOIUrl":"10.1016/j.cjche.2026.07.024","url":null,"abstract":"<div><div>Photocuring demonstrates a significant potential in membrane fabrication owing to its controllable and ultra-fast manufacturing capabilities. However, the high mobility of photoinitiator (PI) and their poor compatibility with polymers not only pose risks to the human health and the environment but also lead to membrane defects, compromising the separation performance. This study presented an integrated strategy combining PI, crosslinking agents, and polydimethylsiloxane (PDMS) to achieve ultra-fast fabrication of the membrane within 400 s. By increasing the molecular weight and size of the PI, its migration ratio can be significantly reduced to 0.099%. Moreover, a chemical bonding strategy was employed to substantially improve the compatibility between the PI and PDMS, resulting in a 2.7-fold increase in the separation factor compared with that of the membrane containing physically blended PI. Based on this chemical integration approach, the fabricated PDMS membrane showed superior furfural-selective pervaporation performance when fed with a 1.0% (mass) furfural/water solution at 80 °C. The membrane flux was achieved to 1360 g·m<sup>−2</sup>·h<sup>−1</sup> along with its separation factor of 38.5. This method provides a versatile approach for manufacturing high-quality separation membranes.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"97 ","pages":"Pages 194-203"},"PeriodicalIF":3.5,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148948095","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

A post-hoc kinetic interpretability analysis approach for petroleum refining reaction models 石油精炼反应模型的事后动力学可解释性分析方法

IF 3.5 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2026-09-01 Epub Date: 2026-08-18 DOI: 10.1016/j.cjche.2026.08.006

Yi Tao, Kexin Bi, Tong Qiu

{"title":"A post-hoc kinetic interpretability analysis approach for petroleum refining reaction models","authors":"Yi Tao, Kexin Bi, Tong Qiu","doi":"10.1016/j.cjche.2026.08.006","DOIUrl":"10.1016/j.cjche.2026.08.006","url":null,"abstract":"<div><div>The accurate representation of complex reaction kinetics and fundamental industrial phenomena constitutes a critical and persistent challenge in petroleum refining process modeling. The complexity of species and reactions in refining models limits comprehensive understanding of kinetic characteristics, thereby posing significant challenges for model validation. To address this, this study proposes a post-hoc interpretability analysis approach for existing refining kinetic models, enabling systematic investigation of reaction contributions, species interactions, and core reaction networks. First, individual reaction molar flow analysis characterizes how a single reaction influences specific species throughout the entire process. Subsequently, a Directed Species Interaction Analysis (DSIA) algorithm traces influence propagation through routes of varying lengths, generating quantitative metrics for directed interaction strength between any species pair. For key industrial species, these metrics enable extraction of core reaction networks that reveal the critical routes governing their formation and consumption. When applied to naphtha catalytic reforming models, the approach demonstrates a clear transformation pathway from paraffins to naphthenes and progressively to aromatics, elucidating the reaction routes underlying the formation and accumulation of major aromatic products. The resulting visualizations identify distinct kinetic behaviors across alternative kinetic models, offering a transparent and mechanistic basis for model comparison and validation. This approach enhances the understanding of reaction kinetics within refining process models, ultimately improving the fidelity of process simulations for industrial applications.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"97 ","pages":"Pages 33-46"},"PeriodicalIF":3.5,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148938439","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0

Waste-to-wealth in photo-biocatalysis: Sustaining and enhancing oxidase activation for 5-hydroxymethylfurfural oxidation in pure water via Au/TiO2-driven in-situ H2O2 decomposition and ROS generation 光生物催化中的废物转化财富：通过Au/ tio2驱动的原位H2O2分解和ROS生成，维持和增强纯水中5-羟甲基糠醛氧化氧化酶的激活

IF 3.5 3区工程技术

Chinese Journal of Chemical Engineering Pub Date : 2026-09-01 Epub Date: 2026-08-04 DOI: 10.1016/j.cjche.2026.07.016

Qingmao Yang, Anyan He, Junyan Tan, Weichen Zhao, Haoyi Wu, Shengning Luan, Wei Feng, Chun Shen

{"title":"Waste-to-wealth in photo-biocatalysis: Sustaining and enhancing oxidase activation for 5-hydroxymethylfurfural oxidation in pure water via Au/TiO2-driven in-situ H2O2 decomposition and ROS generation","authors":"Qingmao Yang, Anyan He, Junyan Tan, Weichen Zhao, Haoyi Wu, Shengning Luan, Wei Feng, Chun Shen","doi":"10.1016/j.cjche.2026.07.016","DOIUrl":"10.1016/j.cjche.2026.07.016","url":null,"abstract":"<div><div>2,5-Diformylfuran (DFF), as the oxidation product of the biomass platform molecule 5-hydroxymethylfurfural (HMF), has attracted considerable attention because of its broad utility as a precursor for pharmaceuticals, renewable polymers, and other functional products. Efficient oxidation of HMF into DFF through biocatalysis in pure water is extremely desirable but still faces significant challenges: complex multi-enzyme systems and low reaction efficiency. Herein, we develop a novel enzyme-photo-coupled catalytic system (EPCS) combining GOase with Au/TiO<sub>2</sub> photocatalyst, achieving “waste-to-wealth”. The mechanism study reveals that the Au/TiO<sub>2</sub> acts as the role of “killing two birds with one stone”: <em>in-situ</em> decomposing inhibitory H<sub>2</sub>O<sub>2</sub> by-product into O<sub>2</sub> and H<sub>2</sub>O, thereby mitigating enzyme inhibition; and ingeniously generating reactive oxygen species (ROS) (hydroxyl radicals (·OH) and superoxide radicals (<span><math><mrow><mo>·</mo><msubsup><mi>O</mi><mn>2</mn><mo>−</mo></msubsup></mrow></math></span>)) and regenerative O<sub>2</sub> that precisely are required for GOase activation. Under visible light conditions, the EPCS achieves (92.3 ± 1.4)% DFF yield with (97.0 ± 0.8)% selectivity within 2 h, significantly outperforming the single enzyme system (DFF yield: (40.9 ± 2.4)%). The “green chemistry” concept is implemented in the EPCS, which provides a generalizable strategy for developing efficient, green, and concise oxidation systems by turning a toxic by-product into catalytic promoters.</div></div>","PeriodicalId":9966,"journal":{"name":"Chinese Journal of Chemical Engineering","volume":"97 ","pages":"Pages 47-59"},"PeriodicalIF":3.5,"publicationDate":"2026-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"148938441","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

引用次数: 0