AICHE JOURNAL
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2026
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IF 4.4
Yawei Gu,Bingbo Shen,Jingxian Hua,Fuan Guo,Haiqian Lian,Zemin Li,Chen Zhang,Chenkai Gu,Jianbo Hu,Lili Fan,Rujing Hou,Hao Wang,Yichang Pan,Weihong Xing
The separation of mono- and di-branched alkane isomers is an industrially important yet highly challenging process requiring precise pore structures. Here, we report a scalable metal–organic framework, Ni 3 (H 1.5 BTC) 2 (BTC)(DABCO) 3 (denoted as Ni-HDB), featuring an anisotropic, “bat-shaped” pore window that enables precise discrimination of the sterically similar 3-methylpentane (3MP) and 2,3-dimethylbutane (23DMB) pair (~0.3 Å difference in kinetic diameter), thereby enabling efficient separation of mono- and di-branched isomers. Multicomponent vapor- and liquid-phase experiments, supported by molecular simulations, reveal that separation arises from shape-governed molecular accommodation rather than simple size exclusion. Notably, under industrially relevant liquid-phase conditions, a packed column of pelleted Ni-HDB directly produces a high-octane gasoline fraction (RON > 91.5) from a five-component alkane mixture, substantially exceeding the industrial benchmark of 83 for refined hexane mixtures. Combined with scalable synthesis, high stability, and low cost, this work establishes a practical, energy-efficient route for liquid-phase adsorptive upgrading of branched alkanes.
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CHINESE JOURNAL OF CHEMICAL ENGINEERING
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2023
·
IF 3.8
Yanjing Li,Shilong Dong,Lili Wang,Xiaoyan Sun,Wenying Zhao,Shuguang Xiang
LLE data of cyclooctane/3-methylpentane + benzene/toluene + N -methylpyrrolidone (NMP) at 298.15 K and 313.15 K under a pressure of 101.3 kPa were measured in this work. The Othmer-Tobias and Hand equations were adopted to validate the reliability of LLE data, where the correlation coefficients ( R 2 ) were close to unity, indicating the high reliability of the experimental data. The experimental data were analyzed using the distribution coefficient ( D ) and separation factor ( S ), and the effect of NMP extracting benzene and toluene from aromatics was explored. Meanwhile, the reason for the different extraction efficiencies of benzene and toluene using NMP was analyzed by quantum chemical calculations. The NRTL and UNIQUAC thermodynamic models were used to correlate the liquid–liquid equilibrium data, and the relevant binary interaction parameters were obtained. The calculated root mean square deviation (RMSD) were all less than 0.0063, indicating that the obtained binary interaction parameters can be used to simulate and calculate the extraction of aromatics using NMP.
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JOURNAL OF MEMBRANE SCIENCE
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2022
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IF 10.53
Wenhe Yang,Xue Yang,Yuxuan Wang,Rujing Hou,Qihan Gong,Yichang Pan
The metal-organic framework (MOF) membrane has been widely studied in gas separation applications. However, less attention was paid to organic liquids separation, particularly for the separation of straight and branched alkane isomers which is critical to producing high-octane gasoline. Our work is the first example of a dense and defect-free Al-bttotb membrane synthesized on α-Al 2 O 3 support surface through solvothermal in-situ synthesis. The microstructure of the membrane surface was adjusted by controlling the growth rate of the crystal facet through the addition of formic acid during synthesis. The resultant membrane showed great thermal stability, long-term stability, and chemical stability due to the bonding reaction between the ligands and the support surface. The pervaporation test showed that Al-bttotb membrane preferentially permeated straight and mono-branched alkane. The mass fraction of n-hexane (nHEX, straight) and 3-methylpentane (3MP, mono-branched) was accumulated from 66.66% on the feed side to 88.53% on the permeate side after 20 h of the test, while a mass fraction of 2,2-dimethylbutane (22DMB) decreased from 33.33% to 11.47%. This work sheds new light on the separation of organic liquids through MOF polycrystalline membrane.
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Nature Communications
·
2023
·Vol. 14
·期 1
·1-9
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IF 16.6
Wang Yuecheng,Ban Yujie,Hu Ziyi,Yang Weishen
Extraction of low concentration linear alkanes (C 5 -C 7 ) from various isomers is critical for the petrochemical industry. At present, the separation of alkane isomers is mainly accomplished by distillation, which results in substantial energy expenditure. Metal-organic frameworks (MOFs) with well-tailored nanopores have been demonstrated to be capable of realizing molecule-level separation. In this study, oriented HKUST-1 membranes are formulated according to the morphology-biased principle and finally realized with a low dose synthesis method for terminating undesired crystal nucleation and growth. The fully exposed triangular sieving pore array of the membrane induces configuration entropic diffusion to split linear alkanes from mono-branched and di-branched isomers as well as their cyclical counterparts. Typically, the current separation technique consumes 91% less energy than vacuum distillation. Furthermore, our membranes can realize one-step extraction of normal- pentane, normal- hexane and normal- heptane from a ten-component alkane isomer solution that mimics light naphtha.
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JOURNAL OF CHROMATOGRAPHY A
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2021
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IF 4.759
Ruijuan Duan,Meiling Qi
This work presents the investigation of using the amphiphilic triblock copolymer composed of poly(ethylene oxide)(PEO)-poly(propylene oxide) (PPO)-poly(ethylene oxide) (PEO) (denoted as EPE) as the stationary phase for gas chromatographic (GC) analyses . The EPE capillary column exhibited moderate polarity and column efficiency of 4348 plates/m determined by naphthalene at 120 °C ( k = 11.52) . Different from the PEG and polysiloxane homopolymers, it showed high-resolution performance towards a wide range of aliphatic and aromatic isomers in terms of polarity and acid-base properties. Particularly, the EPE column displayed distinct advantages for separating the critical isomers of alkanes, anilines and phenols and the components of the lemon essential oil over the commercial PEG and polysiloxane columns. In addition, the EPE column exhibited excellent separation repeatability and reproducibility with the relative standard deviation (RSD) values in the range of 0.03% – 0.08% for run-to-run, 0.14% – 0.61% for day-to-day and 3.1% – 4.0% for column-to-column, respectively. Moreover, the EPE column was investigated in terms of thermal stability, the minimum allowable operating temperature (MiAOT) and sample loadability. Its application to GC-MS analysis of the essential oil demonstrated its feasibility for practical analyses. This work demonstrates the promising future of triblock copolymers as a new class of selective stationary phases for GC analyses, which is barely reported up to date. The findings of this work is of important value for fundamental researches and practical applications.
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TALANTA
·
2021
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IF 6.057
Zhenyu Lu,Xiaotian Lu,Ling Xia,Yanhui Zhong,Gongke Li,Yufei Hu
In this work, a catalytic material of cobalt doped nitrogenous porous carbon (Co/NPC) was fabricated from covalent organic frameworks (COFs) and cobalt ion via directly carbonization . Attribute to the excellent selective catalytic performance towards n -hexane, Co/NPC was employed in cataluminescence (CTL) for rapid and sensitive determination of n -hexane. Moreover, the detection conditions of CTL were evaluated, including temperature, flow rate and detecting wavelength. Under optimized conditions, a good linear relation between signal intensity of CTL and n -hexane concentration was obtained in the linear range of 0.4–250.0 mg/L and the limit of detection (LOD, S/N = 3) was 0.13 mg/L. Furthermore, the Co/NPC based CTL sensor was successfully applied to the determination of n -hexane in edible oil samples with the recoveries in the range of 92.0%–104.0%. The method comparison results of GC/MS and CTL on real sample analysis further proved the accuracy of the developed Co/NPC based CTL method. Additionally, the possible catalytic mechanism of n -hexane on the surface of Co/NPC was investigated, assisting by GC/MS on intermediation products identification. Overall, the Co/NPC based CTL sensor has been confirmed excellent performance in the n -hexane determination, which revealing extensive application in rapid residual n -hexane analysis in edible oil .
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CHINESE JOURNAL OF CHEMICAL ENGINEERING
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2020
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IF 2.627
Xiujuan Li,Le Chen,Dandan Zhu,Song Yang,Zhong Wu,Mingyang He,Zhihui Zhang,Qun Chen
A novel ZIF-8-CMC hybrid material was fabricated from the hybridization of ZIF-8 and carboxymethylcellulose (CMC) by impregnation method for n -hexane/3-methylpentane separation. The surface properties of ZIF-8 were tailored by introducing CMC into ZIF-8 nanoparticles . In this work, adsorption separation of n -hexane ( n HEX) and 3-methylpentane (3MP) on ZIF-8-CMC were investigated by batch vapor-phase adsorption and liquid-phase breakthrough adsorption. The adsorption selectivity of n HEX/3MP reversed from preferable adsorption of n HEX to preferable adsorption of 3MP upon the increasing of CMC containing in the hybrid materials. As the temperature increases, the adsorption amounts of n HEX and 3MP decrease. With the increasing of CMC contents, the n HEX uptake decreased, the uptake capacity of 3MP increased gradually. For liquid-phase breakthrough adsorption, the dynamic adsorption capacity of n HEX also decreased with the increasing of temperature.
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BIORESOURCE TECHNOLOGY
·
2019
·
IF 6.669
Lele Jin,Wenzhi Li,Qiying Liu,Longlong Ma,Chao Hu,Ajibola T. Ogunbiyi,Mingwei Wu,Qi Zhang
In this study, the Mo-promoted Ir/SiO 2 (Ir-MoO x /SiO 2 ) catalysts combined with the zeolite HZSM-5 were used for the direct conversion of microcrystalline cellulose (MCC) to liquid fuel (C 5 /C 6 alkanes) in n-dodecane/H 2 O system. A synergistic effect was formed between the partially reduced MoO x species and the Ir particles, which effectively promoted the catalytic activity of Ir/SiO 2 catalyst. When the Mo/Ir molar ratio was 0.5, a high yield of C 5 /C 6 alkanes (91.7%) was achieved at 210 ℃ for 12 h. In addition, the main component of C 5 /C 6 alkanes was n-hexane, which was proven to be obtained by the hydrogenolysis of the key intermediate, sorbitol, formed from the hydrolysis and hydrogenation of MCC.
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ELECTROPHORESIS
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2019
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IF 2.754
Yuan-Yuan Cui,Huan Yao,Cheng-Xiong Yang,Xiu-Ping Yan
Microporous organic networks (MONs) are a new class of porous materials synthesized via Sonogashira coupling reactions between organic building blocks. Here we report an in situ synthesis approach to fabricate MONs coated capillary column for high resolution GC separation of hydrocarbons. The McReynolds constant evaluation reveals the MONs coated capillary is a non-polar column. The MONs coated capillary column shows good resolution for GC separation of diverse important industrial hydrocarbons such as linear and branched alkanes, alkylbenzenes, pinene isomers, ethylbenzene and styrene, cyclohexane and benzene. The MONs coated capillary column gave a high column efficiency of 1542 plates per meter for hexane and good precision for replicate separations of the selected hydrocarbons with the RSDs of 0.2–0.3, 1.5–3.1, and 1.9–3.3% for retention time, peak height and peak area, respectively. The MONs coated capillary also offered better resolution than commercial Inert Cap-1 and Inert Cap-5 capillary columns for hexane and heptane isomers. These results reveal the potential of MONs as novel stationary phases in GC.
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FUEL PROCESSING TECHNOLOGY
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2019
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IF 4.507
Lele Jin,Wenzhi Li,Qiying Liu,Longlong Ma,Song Li,Yang Liu,Baikai Zhang,Qi Zhang
The liquid fuel (made of C 5 /C 6 alkanes) was obtained directly from the hydrogenolysis of microcrystalline cellulose (MCC) with Ir-VO x /SiO 2 combined with HZSM-5 as the composite catalyst in a biphasic system (n-dodecane + H 2 O). The performance of the catalyst was investigated by carrying out a series of experiments using various V/Ir molar ratios , catalyst dosages, reaction temperatures, reaction time, hydrogen pressure and substrates. At the optimized conditions, the cellulose was almost completely converted, and at the same time, a high C 5 /C 6 yield of 85.1% was obtained at 210 °C for 24 h and 6 MPa with the V/Ir molar ratio being 0.13. These results not only proved that Ir-VO x /SiO 2 (V/Ir = 0.13) has excellent performance for the hydrogenolysis of MCC to liquid alkanes, but also indicated that vanadium is a good metal promoter for iridium . In addition, it was proven the C5/C6 alkanes were obtained via sorbitol through the combined effect of Ir-VO x /SiO 2 and HZSM-5.
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ORGANIC GEOCHEMISTRY
·
2024
·
IF 2.6
Wenna Liu,Wanglu Jia,Qiang Wang,Jian Chen,Jinbu Li,Ping’an Peng
The isotopic fractionation of organic compounds during evaporation is one of the most critical issues in the field of stable isotopes. The hydrogen (H) isotopic compositions of light hydrocarbons (LHs) in oil have gained increasing interest in the research of oil genesis in recent years. However, compared to carbon (C) isotopes, our understanding of H isotopic fractionation patterns and influences for various types of LHs during evaporation is limited. In this study, we performed evaporation experiments at a constant temperature on LHs in three systems: single compound, alkane mixture, and light oil. We assessed the contents and H isotopic compositions of individual LHs in the residual liquid phase. The degree of H isotopic fractionation and influencing factors are studied combined with C isotopes. The H isotopic fractionation of LHs exhibits “inverse isotope fractionation” characteristics (a depletion in D in the residual LHs) with progressive evaporation, which is opposite to the C isotopic fractionation. The degree of isotopic fractionation is influenced by the evaporation system, the compounds’ molecular weight, and their structure. (1) The isotopic fractionation degree of H and C decreases in the following order: light oil > alkane mixture > single compound system. This difference may be related to the unsaturation level of the evaporative system and the evaporation matrix. (2) For LHs with the similar structure in the same evaporation system, the degree of H isotopic fractionation increases with increasing molecular weight due to the buffering effect of the sample pool, while the magnitude of C isotopic fractionation decreases. (3) For LHs with the same C number, methylcyclohexane (MCH) has a lower evaporation rate and less isotopic fractionation than the other C 7 compounds like 3-methylhexane (3-MH), n -heptane ( n C 7 ), and toluene (Tol). The distinctive fractionation characteristics of H isotopes make them very useful in geological applications. Combining H and C isotopic compositions of the same compound with the commonly used molecular ratios of LHs (e.g., n C 7 /MCH, Tol/ n C 7 ) enables full differentiation of three critical processes controlling oil formation: evaporation, thermal maturation, and biodegradation. Furthermore, the differences in H isotopic compositions between C 7 LHs (3-MH, n C 7 , and Tol) may be changed by evaporation, but the variation range is much smaller than that caused by source differences. Therefore, combining H and C isotopes may have great potential for oil source characterizations.
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JOURNAL OF SOLID STATE CHEMISTRY
·
2024
·
IF 3.2
Le Chen,An Xie,Nan Zhang,Jianjun Yin,Qun Chen,Mingyang He,Zhihui Zhang
Zeolitic-Imidazolate Framework 8 (ZIF-8), a porous crystalline absorbent, could be synthesized from the coordination reaction of zinc ions and 2-methylimidazole (2-mIM). ZIF-8 has a large specific surface area and a high adsorption capacity for n -hexane ( n HEX). However, ZIF-8 suffers from low selectivity for both linear and mono-chain alkanes. Therefore, ZIF-8 was modified through 2-mIM ligand being partly replaced by 2-nitroimidazole (2-nIM) through Vapor-Phase post-synthesis modification. The modified materials were denoted as ZIF-8-2-nIM-X (X = 24h, 48h, 72h). ZIF-8-2-nIM-X has a higher specific surface area and better thermal stability than ZIF-8. Further thermodynamic and kinetic calculations show that the affinity of hexane isomers on ZIF-8-2-nIM-X is spontaneous physical adsorption combined with an exothermic process. In contrast, kinetic studies show that the adsorption of hexane isomers on ZIF-8-2-nIM-X is a pseudo-second-order kinetic model. The batch and dynamic adsorption and separation properties of ZIF-8-2-nIM-X for hexane isomers were studied. The results of the one-component vapor adsorption equilibrium experiment show that ZIF-8-2-nIM-72h has the best adsorption separation coefficient at 293 K. The adsorption capacity of n HEX and 3-methylpentane (3MP) were 211.63 mg/g and 33.91 mg/g, respectively. Compared with ZIF-8 (selectivity coefficient: 1.08), the adsorption selectivity coefficient of the modified material is greatly improved. The adsorption selectivity coefficient of n HEX/3MP is 6.24 (ZIF-8-2-nIM-72h).
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