{"title":"Kinetic study and reaction model of chlorotrimethylsilane hydrolysis to hexamethyldisiloxane","authors":"Yue Zhang , Rui-Qi Jia , Guang-Wen Chu , Bao-Chang Sun , Liang-Liang Zhang , Jian-Feng Chen","doi":"10.1016/j.ces.2026.123542","DOIUrl":"10.1016/j.ces.2026.123542","url":null,"abstract":"<div><div>As an important organosilicon intermediate, hexamethyldisiloxane (HMDSO) is widely used in the fabrication of silicone resins, functional coatings, and fine chemicals. However, the reaction kinetics remain insufficiently quantified, limiting process optimization. In this study, the reaction mechanism and pathway of HMDSO formation from chlorotrimethylsilane (CTMS) via hydrolysis were first elucidated using density functional theory simulations. The reaction network was simplified into two consecutive reactions: substitution and condensation. The reversibility and kinetic parameters of both reactions were experimentally determined using conductance and other methods, exhibiting that the substitution reaction is a rapid and irreversible process, while the condensation reaction is reversible and the rate-limiting step. Moreover, an apparent reaction model coupling reaction and mass transfer was developed for the practical liquid–liquid heterogeneous CTMS hydrolysis process. The predicted performance of the reaction by the model, including conversion ratio and reaction time, was in good agreement with experimental results.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"326 ","pages":"Article 123542"},"PeriodicalIF":4.3,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146138483","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ketao Shi , Nianming Jiao , Youbing Zhu , Zhen Xu , Ningjing Tang , Hui Wang
{"title":"Unveiling the synergistic effect between dielectric barrier discharge plasma and ZSM-5 in cracking of n-hexane: experimental and mechanistic study","authors":"Ketao Shi , Nianming Jiao , Youbing Zhu , Zhen Xu , Ningjing Tang , Hui Wang","doi":"10.1016/j.ces.2026.123548","DOIUrl":"10.1016/j.ces.2026.123548","url":null,"abstract":"<div><div>Plasma, with its highly energetic and reactive nature, was proposed as an effective external field to intensify the catalytic cracking of <em>n</em>-hexane over ZSM-5 zeolite. The effects of zeolite acidity, reaction temperature, plasma power, catalyst bed location <em>vs</em> the discharge region, and discharge atmosphere were systematically investigated. It was found that plasma significantly enhanced the cracking of <em>n</em>-hexane, and when the catalyst was placed in the plasma discharge region the reaction performance was the best, indicating a synergistic effect between plasma and ZSM-5. Compared with conventional catalytic cracking, the introduction of plasma increased the <em>n</em>-hexane conversion from 20.8% to 59.3% and the light olefins yield from 6.3% to 27.1% at 400 °C in the argon atmosphere. <em>In-situ</em> optical emission spectroscopy (OES), <em>n</em>-hexane-TPD, and electron collision reaction calculations based on the Boltzmann equation demonstrated that plasma effectively promoted the cleavage of C–C/C–H bonds, facilitating the formation of reactive radicals (<em>e.g.</em>, <img>CH, <img>C<sub>2</sub>, and <img>H) and leading to the formation of smaller species. These reactive intermediates were more likely to undergo subsequent transformations over zeolite acid sites, thereby enhancing the radical-driven reaction pathway and significantly increasing the yield of light olefins. These findings demonstrate the synergistic effect between plasma and catalysts in promoting alkane cracking under moderate conditions, offering a promising strategy for the production of light olefins in an energy-efficient way.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"326 ","pages":"Article 123548"},"PeriodicalIF":4.3,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146138484","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Dezhi Chen , Junmeng Li , Ji Long , Shihao Zhou , Jun Xu , Kai Xu , Long Jiang , Yi Wang , Sheng Su , Song Hu , Jun Xiang
{"title":"Coupled evolution of pore and carbon skeleton structure during coal and biomass pyrolysis up to 1400 °C: Mechanistic Insights and predictive Modeling","authors":"Dezhi Chen , Junmeng Li , Ji Long , Shihao Zhou , Jun Xu , Kai Xu , Long Jiang , Yi Wang , Sheng Su , Song Hu , Jun Xiang","doi":"10.1016/j.ces.2026.123552","DOIUrl":"10.1016/j.ces.2026.123552","url":null,"abstract":"<div><div>This study systematically investigates the nonlinear evolution of pore structure and its coupled mechanism with chemical structural changes of the char from the pyrolysis of six biomass and three coal samples across 350–1400 °C. The results revealed that the BET surface area (S<sub>BET</sub>) and pore volume (V<sub>total</sub>) exhibit a distinct three-stage trend of “increase–decrease-increase” with increasing temperature, whereas the average pore diameter (D<sub>average</sub>) follows the opposite trend. The first inflection point (FIP) and second inflection point (SIP) are primarily observed at 600 °C and 1000 °C for biochar, whereas around 700 °C and 1100 °C for coal chars. FIP and SIP correlate closely with the sum of the raw sample’s moisture and volatile contents, and the ratio of small to large aromatic rings of the char, respectively. In addition, in Stage I (350 °C-FIP), the increase in S<sub>BET</sub> is strongly governed by the decline in H/C atomic ratio, Raman parameter α and A<sub>(GR+VL+VR)</sub>/A<sub>D</sub>, indicating that volatile release and the breakdown of aliphatic structures dominate pore generation. In Stage Ⅱ (FIP-SIP), the magnitude of S<sub>BET</sub> reduction correlates positively with A<sub>(GR+VL+VR)</sub>/A<sub>D</sub>, reflecting partial collapse of pores induced by carbon skeleton compression. In Stage Ⅲ (SIP-1400 °C), S<sub>BET</sub> exhibits strong positive correlation with structural index A<sub>(GR+VL+VR)</sub>/A<sub>G</sub>·C<sub>RM</sub>, Mg and Ca volatilization disturbs carbon layers, creating inter-cluster dislocations, promoting new pores. Based on these findings, a three-stage mechanistic model was established. Furthermore, a unified pore structure prediction model across wide temperature range was constructed and validated, with S<sub>BET</sub> average absolute error of only 5.41 m<sup>2</sup>/g.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"326 ","pages":"Article 123552"},"PeriodicalIF":4.3,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146146182","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Kong Haowen , Wu Hong , Zhang Li , Wang Ping , Li Ruimeng
{"title":"Low-concentration CO2 adsorption performance of MCM-41 molecular sieve doped with heterometals inherent in fly ash","authors":"Kong Haowen , Wu Hong , Zhang Li , Wang Ping , Li Ruimeng","doi":"10.1016/j.ces.2026.123503","DOIUrl":"10.1016/j.ces.2026.123503","url":null,"abstract":"<div><div>This study investigated the utilization of heterometals, such as Al, Fe, and Ti, inherent in fly ash in the synthesis of metal-doped MCM-41 molecular sieve for the efficient capture of low-concentration carbon dioxide (CO<sub>2</sub>). While active Si and Al components were extracted by an acid leaching-alkali fusion pretreatment process, the adsorbent was prepared using an <em>in situ</em> doping method, resulting in metal-doped MCM-41 with small grain sizes and ordered mesoporous channels. The distribution of metal heteroatoms was optimized by adjusting the synthesis pH. Al atoms were concentrated on the surface of the molecular sieve to form active sites, while Fe and Ti atoms were preferably incorporated into the bulk phase to regulate the pore structure. C10.5-M41, synthesized at pH 10.5, exhibited abundant surface acid-base sites and an increased pore size of 5.4 nm. In low-concentration CO<sub>2</sub> adsorption tests, the material demonstrated adsorption capacities of 1.31 mmol/g at 25 °C and 1.06 mmol/g at 90 ℃. The adsorption capacity decreased by 38% at 90℃ with 8% water vapor. In addition, 90% of the adsorption capacity at 25 ℃ could be retained after ten regeneration cycles. Based on thermodynamic analysis, physical adsorption dominates at 25 ℃, while chemical adsorption is predominant at 90 ℃. The incorporation of metal ions into the framework increases the pore size of the adsorbent and reduces its internal transport resistance for CO<sub>2</sub> gas. This study utilized heterometals inherent in fly ash as a resource and contributed to the design of high-capacity and thermally stable CO<sub>2</sub> adsorbent materials.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"326 ","pages":"Article 123503"},"PeriodicalIF":4.3,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146116004","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jingang Wang , Jianbo Zhang , Yuzhe Mu , Xuejiao Tang
{"title":"Unique synergies of Ce and Nb doping on Cu-SSZ-13 resulting in excellent stability over a significantly wider temperature range","authors":"Jingang Wang , Jianbo Zhang , Yuzhe Mu , Xuejiao Tang","doi":"10.1016/j.ces.2026.123531","DOIUrl":"10.1016/j.ces.2026.123531","url":null,"abstract":"<div><div>Cu-SSZ-13 catalysts have emerged as the most promising on-board catalysts in denitrification with NH<sub>3</sub>-SCR due to the exceptional hydrothermal stability and catalytic activity. In the work, as-prepared Ce<sub>0.075</sub>-Nb<sub>1.5%</sub>/Cu-SSZ-13 catalyst exhibited a significantly most excellent catalytic activity with good stability in the wider temperature range of 300 ℃ to 650 ℃, due to the synergistic effect of Ce and Nb. The results of XPS and H<sub>2</sub>-TPR indicated that the interaction between Ce and Nb alters the chemical environment of the active site Cu, resulting in a more stable Cu<img>O bond, which enhances the stability of the active Cu sites, which was verified by the analysis results of Materials Studio. The addition of Nb could lead to the increase of Ce<sup>3+</sup>/Ce<sup>4+</sup> to improve the redox capacity of the catalyst. Moreover, the synergistic effect of Nb and Ce made few CuO<sub>x</sub> clusters formed and preserved a greater number of [Cu(OH)]<sup>+</sup>, which was impeded to migrate at high temperatures due to the steric hindrance formed by Nb and Ce, enhancing the catalytic activity at wider temperature range.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"326 ","pages":"Article 123531"},"PeriodicalIF":4.3,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146116033","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Mengying Lin , Hanyue Lou , Zhaoyang Qi , Jie Chen , Changshen Ye , Ting Qiu
{"title":"D-alanine-bridged phosphotungstic acid/UiO-66 hybrids as efficient catalysts for oxidative desulfurization of fuels","authors":"Mengying Lin , Hanyue Lou , Zhaoyang Qi , Jie Chen , Changshen Ye , Ting Qiu","doi":"10.1016/j.ces.2026.123545","DOIUrl":"10.1016/j.ces.2026.123545","url":null,"abstract":"<div><div>The development of highly active catalysts is crucial for oxidative desulfurization (ODS) to meet the growing demand for sulfur-free fuels. In this study, a defect-rich composite catalyst UiO-DAlaPW was successfully synthesized via mechanochemical grinding, wherein phosphotungstic acid (HPW) was encapsulated within a defect-engineered UiO-66 framework, utilizing D-alanine (DAla) as a bridging molecule. The synthesized catalyst, UiO-DAlaPW, significantly enhances the utilization efficiency of hydrogen peroxide (H<sub>2</sub>O<sub>2</sub>). In the model oil ODS system, the material exhibited exceptional catalytic performance: achieving deep desulfurization at room temperature within merely 5 min under conditions of extremely low acetonitrile cosolvent usage and a low oxidant/sulfur (O/S) ratio, accompanied by remarkably high H<sub>2</sub>O<sub>2</sub> utilization efficiency. Moreover, the catalyst maintained high desulfurization efficiency even in the absence of acetonitrile. Characterization by XRD, FT-IR, TGA, and XPS confirmed the successful encapsulation of HPW within the UiO-66 framework. Mechanistic studies revealed a significant synergistic effect between UiO-66 and HPW. The effective cooperation of the two active sites, namely Zr in UiO-66 and PW, significantly enhances the catalytic performance, contributing to superior oxidative desulfurization activity.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"326 ","pages":"Article 123545"},"PeriodicalIF":4.3,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146122517","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jing Wang , Xiangbo Feng , Yuzhen Zhao , Du Lv , Hao Ma , Manni Li , Yao Liu , Guoqing Guan , Jian Miao
{"title":"Dual functional Li4[Fe(CN)6] modified PVDF-HFP membrane: An effective gel polymer solid electrolyte for solid-state lithium batteries","authors":"Jing Wang , Xiangbo Feng , Yuzhen Zhao , Du Lv , Hao Ma , Manni Li , Yao Liu , Guoqing Guan , Jian Miao","doi":"10.1016/j.ces.2026.123455","DOIUrl":"10.1016/j.ces.2026.123455","url":null,"abstract":"<div><div>Solid electrolyte is an effective way to address the safety concerns associated with liquid electrolytes based-rechargeable Li-ion batteries (LIBs), making the improvement of their electrochemical performance particularly significant. In this work, a poly(vinylidene fluoride-hexafluoro propylene) (PVDF-HFP) membrane was successfully modified with lithium hexacyanoferrate(II) (Li<sub>4</sub>[Fe(CN)<sub>6</sub>]), the resulting bonding interactions enabled the formation of a gel polymer electrolyte (GPE) with high ionic conductivity, making it highly suitable for applications in SSLBs applications. Impressively, the obtained GPE with a three-dimensional (3D) porous network exhibited a wide electrochemical window of ∼5.0 V, a high lithium transference number of 0.42, and an enhanced ionic conductivity of 2.63 × 10<sup>-4</sup> S·cm<sup>−1</sup>. These improvements can be attributed to the dual functional Li<sub>4</sub>[Fe(CN)<sub>6</sub>], which not only serves as a lithium ion source but also effectively reduces the crystallization of PVDF-HFP. Additionally, the assembled SSLB with this GPE exhibited excellent cycling stability, achieving a high initial capacity of 119.1 mAh·g<sup>−1</sup> and a high initial Coulombic efficiency of 97.24% at 1C. This PVDF-HFP-Li<sub>4</sub>[Fe(CN)<sub>6</sub>] GPE is therefore expected to be an effective electrolyte for next-generation SSLBs with high cycling stability.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"326 ","pages":"Article 123455"},"PeriodicalIF":4.3,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146135363","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Ruijun Wang , Zhen Dong , Hui Wang , Yongbin Zou , Huaqi Zhang , Xue Hao , Yuan Gao , Zhiwen Ye , Hongxun Hao
{"title":"Unraveling the molecular mechanism of solid–liquid phase equilibrium of DBD in different solvents","authors":"Ruijun Wang , Zhen Dong , Hui Wang , Yongbin Zou , Huaqi Zhang , Xue Hao , Yuan Gao , Zhiwen Ye , Hongxun Hao","doi":"10.1016/j.ces.2026.123486","DOIUrl":"10.1016/j.ces.2026.123486","url":null,"abstract":"<div><div>1,2-Di(1′H-[1,5′-bitetrazol]-5-yl)diazene (DBD) is considered a promising high-energy, nitrogen-rich material. However, its practical utilization is limited by low solubility and insufficient understanding of its thermodynamic behavior. To address this, the solid–liquid equilibrium of DBD was examined in four pure solvents (water, acetonitrile, acetone, and 1,4-dioxane) and three binary solvent systems (with water as the anti-solvent) from 278.15 to 318.15 K using gravimetric method. The van’t Hoff, modified Apelblat, Yaws, GCM, and Jouyban-Acree models all yielded excellent correlations with the experimentally determined solubility data of DBD, among which the modified Apelblat model stood out with superior performance. A multi-technique approach was employed to unravel the molecular mechanisms. Hirshfeld surface analysis identified the preferential spatial contacts within the crystal structure, while molecular electrostatic potential (ESP) analysis exhibited the surface charge characteristics relevant to solute–solvent interactions. Combined DFT/IGMH/AIM analysis elucidated the dissolution mechanism: water solvent effectively disrupts solute–solute binding but demands high reorganization energy. Mixed solvents, on the other hand, optimize this energy balance, thereby creating a superior solubilizing environment. Molecular dynamics simulations revealed that the maximum solubility of DBD in binary water-organic solvent systems occurs at specific mixing ratios. This maximum is directly linked to the peak in solute–solvent interaction energy, as evidenced by its primary dependence on optimized hydrogen bonding and van der Waals interactions. This finding establishes a coherent framework linking macroscopic thermodynamics to microscopic molecular interactions, thereby affording fundamental insights for the practical optimization of DBD.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"326 ","pages":"Article 123486"},"PeriodicalIF":4.3,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146095538","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Performance of Fe2O3/graphene hybrid nanofluids within an alternating oval tube: experimental investigation of the effects of pitch angle","authors":"Sasidhar Gurugubelli , Singuru Madhavarao , Yarrapragada K.S.S. Rao , Rapaka Jagadeesh , Ravikiran Balaga , Javed Syed","doi":"10.1016/j.ces.2026.123537","DOIUrl":"10.1016/j.ces.2026.123537","url":null,"abstract":"<div><div>The effect of pitch angle on the design of an alternative oval tube heat exchanger is evaluated using Fe<sub>2</sub>O<sub>3</sub>/graphene hybrid nanofluid. The hybrid nanofluids were successfully synthesized, achieving optimal thermal conductivity at a 3:2 wt ratio. Experiments were conducted with different pitch angles (30°, 45°, 60°, and 90°) and nanoparticle concentrations ranging from 0.01% to 0.03%. The Nusselt number increased with the Reynolds number, by 12 to 20% at a 30° pitch compared to a 90° pitch, suggesting better heat transfer at lower pitch angles. Conversely, the friction factor and pressure drop exhibited a decrease with the Reynolds number, yet remained 8 to 15% elevated. It is observed that the highest concentration (0.03%) results in a 12% improvement in the heat transfer coefficient over 0.01%. Performance index ratios (PIR) decrease by approximately 25% as Reynolds numbers rise from 250 to 2000, with a 30° angle yielding a 12% higher PIR than 90°. The study suggests that a 30° pitch with a nanoparticle concentration of 0.02–0.03% at moderate Reynolds numbers (1000–1500) optimises heat transfer. Furthermore, a balanced design, favoring a 45° pitch angle and moderate nanofluid concentration, optimizes thermal performance while minimizing frictional losses, providing essential guidelines for effective industrial heat exchanger design.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"326 ","pages":"Article 123537"},"PeriodicalIF":4.3,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146138480","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jinhuang Cai , Chaofan Qi , Dingding Liu , Guohua Jing , Yongdan Li , Huawang Zhao
{"title":"Pd/SSZ-39 low-temperature hydrocarbon traps: probing adsorption mechanisms and hydrothermal aging impacts","authors":"Jinhuang Cai , Chaofan Qi , Dingding Liu , Guohua Jing , Yongdan Li , Huawang Zhao","doi":"10.1016/j.ces.2026.123547","DOIUrl":"10.1016/j.ces.2026.123547","url":null,"abstract":"<div><div>Hydrocarbons (HCs) emission during the cold-start period of internal combustion engine vehicles accounts for the majority of total HCs emission. In this work, we developed a Pd/SSZ-39 catalyst with exceptional low-temperature C<sub>3</sub>H<sub>6</sub> (representative of light HCs) trapping performance, achieving the C<sub>3</sub>H<sub>6</sub> storage capacity of 0.87 mmol/g (C<sub>3</sub>H<sub>6</sub>/Pd<sup>2+</sup>=12). The C<sub>3</sub>H<sub>6</sub> adsorption tests revealed that aged Pd/SSZ-39 samples retained 47% and 28% of its original C<sub>3</sub>H<sub>6</sub> trapping capacity after treatment at 800 °C and 900 °C for 20 h, respectively, while its C<sub>3</sub>H<sub>6</sub> oxidation efficiency remained largely unaffected. Characterization studies indicate that Pd<sup>2+</sup> ions serve as primary adsorption sites, initially capturing C<sub>3</sub>H<sub>6</sub> molecules as Pd<sup>2+</sup>(C<sub>3</sub>H<sub>6</sub>)<sub>x</sub>, which then undergo cracking and polymerization at neighboring Brønsted acid sites. The reduction in both Pd<sup>2+</sup> ions and Brønsted acid sites directly correlates with the diminished C<sub>3</sub>H<sub>6</sub> adsorption capacity. During the desorption phase, Pd<sup>2+</sup>(C<sub>3</sub>H<sub>6</sub>)<sub>x</sub> species decompose between 200–300 °C, while polymerized hydrocarbons undergo oxidation at 300–400 °C, yielding distinct C<sub>3</sub>H<sub>6</sub> and CO<sub>2</sub>/CO release peaks. These findings highlight the Pd/SSZ-39 as a robust low-temperature hydrocarbon trap, even under extreme hydrothermal aging conditions.</div></div>","PeriodicalId":271,"journal":{"name":"Chemical Engineering Science","volume":"326 ","pages":"Article 123547"},"PeriodicalIF":4.3,"publicationDate":"2026-05-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146121907","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":2,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}