JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS
·
2023
·
IF 6
Hong-Jun Lu,Dong-Hao Yuan,Chang Gao,Bi-Cheng Li,Zi-Bin Huang,Jing-Yi Yang,Pei-Qing Yuan
The effect of the timing of adding 1 wt% decalin as a hydrogen donor on heavy oil visbreaking was studied. Experiments show that either premixing decalin with heavy oil or adding decalin during the reaction accelerates the formation of light distillates and improves the efficiency of viscosity reduction. Premixing with heavy oil is an appropriate way to add decalin. After 10 min of reaction at 400 ℃, the viscosity reduction rate of the product reaches 90% and the asphaltene content of the product is 1.8 wt% lower than that of the raw heavy oil. According to theoretical calculations, the active hydrogens of decalin preferentially saturate the aromatic C radicals that are critical for condensation . The equilibrium constant of the H-donation reaches the order of 10 5 , while the activation energy of the reaction is only about 26 kJ/mol. The thermal cracking of decalin itself releases active and small-sized radicals, which accelerate visbreaking by participating in the dealkylation network of heavy oil molecules.
研究领域:
石油工程
·
化学工程
✓ 已验证
产品关联
DOI
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2025
·
IF 3.9
Junpeng He,Ruiqing Zhang,Xi Chen,Bofeng Zhang,Guozhu Liu
Active fuel cooling is an effective way to overcome the thermal barrier for hypersonic flight. Pt-based nanofluid catalysts are effective in enhancing the chemical heat sink of endothermic hydrocarbon fuels (EHFs) by facilitating a catalytic dehydrogenation-cracking reaction. However, highly-dispersed Pt nanoparticles often face the problem of poor thermal stability in nanofluids. In this work, a NaH-assisted deprotonation method was applied to synthesize N-heterocyclic carbene (NHC)-capped highly-dispersed Pt nanoparticles (Pt@NHC14). The average size of the Pt nanoparticles in optimized Pt@NHC14 was 2.4 nm. Pt@NHC14 exhibited a high heat sink of 3.80 MJ/kg at 725 °C in the quasi-homogeneous conversion of decalin, which was 10% higher than Pt@ILs14 without a deprotonation strategy. This could be ascribed to the dehydrogenation process being promoted, which was verified by a hydrogen yield of 9.5% on highly dispersed Pt of Pt@NHC14, and that is 46% higher than that of Pt@ILs14. This research synthesizes N-heterocyclic carbene-capped highly-dispersed Pt nanoparticles and provides valuable insights into the strong endothermic technology.
研究领域:
材料科学
·
化学工程
·
航空航天工程
✓ 已验证
产品关联
DOI
高影响因子
Russian Journal of Physical Chemistry A
·
2024
·Vol. 98
·期 10
·2219-2232
·
IF 0.7
Guiling Wu,Zhao Wenli,Yang Xinyue,Niu Xiaopo,Guo Zhen,Liu Danni,Wang Qingfa
Abstract Producing high-density fuel of alkylated decalins from hydrodeoxygenation (HDO) of naphthalene derivatives is an environmentally friendly but still challenging method. Herein, a bifunctional Ru/HZSM-5 catalyst was fabricated by acid treatment (citric acid, oxalic acid, nitric acid) to effectively synthesize the alkylated decalins via HDO of naphthalene derivative. Acid treatment adjusted the acidic site distribution of Ru/HZSM-5. Nitric acid treatment (NA) resulted in more abundance of weak acidic sites which was beneficial for the dehydration process in HDO, and the lowest ratio of BAS/LAS to promote the hydrogenation of alkylated octalins, the rate-determining step of HDO. NA-treated Ru/HZSM-5 showed the highest HDO activity with the highest selectivity of 1,2-dimethyldecalin (74%). Besides, it also presents good HDO activity of naphthalene derivatives to produce high-density hydrocarbons. Therefore, Ru/HZ5-NA is a promising catalyst for the production of alkylated decalins and other high-value biofuels and chemicals.
研究领域:
催化化学
·
能源化学
✓ 已验证
产品关联
DOI
高影响因子
FUEL
·
2020
·
IF 5.578
Tinghao Jia,Lun Pan,Xiaoyu Wang,Jiawei Xie,Si Gong,Yunming Fang,Hua Liu,Xiangwen Zhang,Ji-Jun Zou
Thermal oxidation stability is a key issue for jet fuel when serving as a coolant in aircraft. However, the deposition propensity and mechanism of hydrocarbons with different molecule structures remain ambiguous. In this study, the oxidation stability and deposition propensity of C10 hydrocarbon fuels, i.e. , tetralin, cis- / trans- decalin, exo -tetrahydrodicyclopentadiene ( exo- THDCPD), and n- decane, were determined. The oxidation stability of hydrocarbons follows the order of n- decane > exo- THDCPD > trans- decalin > cis- decalin > tetralin, which is highly associated with the molecular-structure-dependent C–H bond dissociation enthalpy. Differently, the deposition propensity follows the order of trans- decalin > exo- THDCPD > n- decane > cis- decalin > tetralin, which can be associated with the stability of oxidation intermediates, especially the hydroperoxides. The more stable the intermediates are, the fewer deposits will be produced. These results demonstrate the relationship between thermal oxidation stability and hydrocarbon molecular structure, which is helpful for a better understanding of jet fuel deposition mechanism.
研究领域:
化学工程
·
航空航天工程
·
燃料化学
✓ 已验证
产品关联
DOI
高影响因子
Sustainable Energy & Fuels
·
2022
·Vol. 6
·期 3
·834-840
·
IF 6.813
Chunwei Liu,Yancheng Hu,Guangyi Li,Aiqin Wang,Yu Cong,Xiaodong Wang,Tao Zhang,Ning Li
Decalins are the main component of JP-900, a coal-based thermal stable advanced aviation fuel. Meanwhile, these compounds are also widely used as additives to improve the volumetric heat value and thermal stability of aviation fuels. Herein, a brand new three-step route was developed for the synthesis of renewable alkylated decalins from 2-methyl-2,4-pentanediol (MPD) and p-quinone, two platform compounds that can be derived from lignocellulose. First, a mixture of C6 dienes was obtained from the dehydration of 2-methyl-2,4-pentanediol under the catalysis of choline chloride (ChCl) based acidic deep eutectic solvents (DES). Among the investigated reaction media, the ChCl/MSA DES prepared with ChCl and methanesulfonic acid (MSA) demonstrated the highest activity and selectivity for the dehydration of MPD. This can be rationalized by the relatively higher acid strength of the MSA. By the Diels–Alder reaction of C6 dienes and p-quinone, C12 cycloadducts with double six-membered ring carbon chain structures were formed in the absence of any catalyst. Finally, the C12 cycloadducts were further hydrodeoxygenated to alkylated decalins with high-density (0.91 g mL−1) and low freezing point (225–236 K) over a physical mixture of Pd/C and H-Y zeolite.
研究领域:
化学工程
·
可再生能源
·
催化科学
✓ 已验证
DOI
高影响因子
ACS Omega
·
2020
·
IF 2.87
Xiaomei Qin,Shihao Yang,Yapei Chen,Xiaoyun Qin,Jianbo Zhao,Wenjun Fang,Dan Luo
Palladium nanoparticles, which were prepared by modified hyperbranched polyglycerol (mHPG) as stabilizers, can be dispersed well in nonpolar organic solvents and form highly stable nanofluids. The influences of three mHPG products modified with cyclohexanethiol (CSHPG), dodecanethiol (DSHPG), and octadecanethiol (OSHPG) on the preparation and stability of the palladium nanoparticles were investigated. The stability and thermal conductivity enhancement of the hydrocarbon-based nanofluids with Pd@mHPG (Pd@CSHPG, Pd@DSHPG, and Pd@OSHPG) compared to the corresponding base fluid were investigated at different temperatures. The average diameters of nanoparticles stabilized by CSHPG, DSHPG, and OSHPG are within 2.7–3.6 nm. The palladium nanoparticles could be dispersed well in the nonpolar base fluid such as decalin. The nanofluids with Pd@DSHPG and Pd@OSHPG could remain stable for up to 330 days at room temperature. The nanofluid with Pd@DSHPG or Pd@OSHPG could be stable for more than 24 h at 110 °C. The thermal conductivity of the nanofluids improved with increasing temperature and the mass fraction of nanoparticles compared to the corresponding base fluid. The long alkyl chain-modified HPG can give better protection for nanoparticles from agglomeration and assist metal nanoparticles in enhancing the thermal conductivity of nanofluids.
研究领域:
材料科学
·
纳米技术
·
化学工程
✓ 已验证
产品关联
DOI
PubMed
高影响因子
INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH
·
2020
·
IF 3.573
Yongde Ma,Yanru Wang,Wenquan Wu,Jiayin Zhang,Yanning Cao,Kuan Huang,Lilong Jiang
Slurry-phase hydrocracking is one of the most advanced technologies for the conversion of inferior heavy oil to light fuel oil. In this work, MoS2 was combined with SiO2–ZrO2 mixed oxides to offer a new class of bifunctional catalysts for slurry-phase hydrocracking. In the bifunctional catalysts, SiO2–ZrO2 mixed oxides with abundant mesopores and acid sites act as cracking catalysts. They were presynthesized by a sol–gel-hydrothermal method and systematically characterized by X-ray diffraction (XRD), N2 adsorption, Fourier transform infrared (FTIR) spectroscopy, X-ray photoelectron spectroscopy (XPS), NH3-temperature programed desorption (NH3-TPD), and in situ diffuse reflectance infrared Fourier transform spectroscopy (DRIFTS). The effect of Si/Zr molar ratios on the chemical structure, especially the acid properties of SiO2–ZrO2 mixed oxides were examined. Subsequently, a mixture of decalin–phenanthrene was selected as the model system to investigate the performance of bifunctional catalysts. It was found that the conversions of decalin and phenanthrene were significantly improved for MoS2/SiO2–ZrO2 bifunctional catalysts. Further analysis indicated that the Brønsted acid sites of SiO2–ZrO2 mixed oxides played an important role in the improvement of decalin and phenanthrene conversions.
研究领域:
化学工程
·
催化
·
石油炼制
✓ 已验证
DOI
高影响因子
CHINESE JOURNAL OF CHEMICAL ENGINEERING
·
2023
·
IF 3.8
Hui Yu,Xiaojia Wu,Chuanqi Geng,Xinyu Li,Chencan Du,Zhiyong Zhou,Zhongqi Ren
The separation of aromatics from aliphatics is essential for achieving maximum exploitation of oil resources in the petrochemical industry. In this study, a series of metal chloride–based ionic liquids were prepared and their performances in the separation of 1,2,3,4-tetrahydronaphthalene (tetralin)/dodecane and tetralin/decalin systems were studied. Among these ionic liquids, 1-ethyl-3-methylimidazolium tetrachloroferrate ([EMIM][FeCl 4 ]) with the highest selectivity was used as the extractant. Density functional theory calculations showed that [EMIM][FeCl 4 ] interacted more strongly with tetralin than with dodecane and decalin. Energy decomposition analysis of [EMIM][FeCl 4 ]–tetralin indicated that electrostatics and dispersion played essential roles, and induction cannot be neglected. The van der Waals forces was a main effect in [EMIM][FeCl 4 ]–tetralin by independent gradient model analysis. The tetralin distribution coefficient and selectivity were 0.8 and 110, respectively, with 10% (mol) tetralin in the initial tetralin/dodecane system, and 0.67 and 19.5, respectively, with 10% (mol) tetralin in the initial tetralin/decalin system. The selectivity increased with decreasing alkyl chain length of the extractant. The influence of the extraction temperature, extractant dosage, and initial concentrations of the system components on the separation performance were studied. Recycling experiments showed that the regenerated [EMIM][FeCl 4 ] could be used repeatedly.
研究领域:
化学工程
·
石油化工
·
材料科学
·
计算化学
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF POLYMER RESEARCH
·
2025
·Vol. 32
·期 12
·458
·
IF 2.8
Shehu Mustapha Sani,Saeed Alaaddin M. M.,Cao Gui-Ping,Yan Jun-Yang
A novel gradient copolymer, poly(norbornadiene-grad-cyclohexadiene), was synthesized via ring-opening metathesis polymerization (ROMP) of norbornadiene (NBD) and vinyl-addition of cyclohexadiene (CHD) mechanism using Grubbs’ third-generation catalyst (G3). To overcome the intrinsic brittleness and limited thermal performance of cyclic olefin copolymers, the material was further modified through catalytic hydrogenation using a palladium supported on porous nickel decorated with carbon nanotubes (Pd@PN-CNT). The post-polymerization (catalytic hydrogenation) significantly enhanced the thermomechanical properties: the glass transition temperature increased from 127 ℃ to 139 ℃, and the degradation temperature rose from 438 ℃ to 519 ℃. Mechanical testing revealed improvements in tensile strength (from 14.58 MPa to 28.93 MPa), elongation at break (from 16.44% to 32.34%), and elastic modulus (from 28.61 MPa to 39.87 MPa). These improvements are attributed to the saturation of unsaturated bonds, reduction in chain defects, and enhanced phase separation. The high hydrogenation efficiency of the Pd@PN-CNT catalyst also demonstrated excellent reusability. This work presents a viable route for tailoring the thermal and mechanical performance of gradient copolymers, positioning hydrogenated poly(NBD-grad-CHD) as a promising candidate for advanced applications in elastomers and high-performance engineering materials.
研究领域:
高分子化学
·
材料科学
·
催化化学
·
高分子工程
·
热分析
✓ 已验证
产品关联
DOI
高影响因子
JOURNAL OF POLYMERS AND THE ENVIRONMENT
·
2026
·Vol. 34
·期 4
·80
·
IF 5.6
Zhou Xiaorui,Yang Ying,Lv Chang,Cheng Xinru,Hao Wenbo,Su Tingting,Huang Chenhao,Hu Bing
To adjust and optimize the structure and characteristics of biodegradable poly (butylene succinate) (PBS)-type polyesters, seven aliphatic polyesters with different chain lengths were synthesized by introducing azelaic acid. It can be finded that the melting points of the six polyesters gradually rise with increasing carbon chain length, with the exception of poly(propylene azelate) (PPAz). The XRD analysis reveals that the odd–even effect exerts a certain influence on the diffraction peaks. Specifically, the diffraction angles of odd-odd carbon polyesters demonstrate a systematic shift in comparison to those of odd–even carbon polyesters. Except for PPAz and poly(hexylene azelate) (PHAz), the hydrophilicity of the polyesters decreases with increasing chain length, with PHAz being the most hydrophilic polyester. The thermal decomposition temperatures of the seven polyesters exceed 315.0 °C, indicating good thermal stability. Among them, poly(decylene azelate) (PDAz) exhibits the highest thermal decomposition temperature, reaching as high as 358.1 °C. Enzyme hydrolysis studies show that poly(pentylene azelate) (PPeAz) has the best biodegradability, with the polyester experiencing 100% weight loss after 12 h of enzymatic degradation. Graphical
✓ 已验证
产品关联
DOI
高影响因子
REACTIVE & FUNCTIONAL POLYMERS
·
2025
·
IF 5.1
Alaaddin M.M. Saeed,Gui-Ping Cao,Mustapha Sani Shehu,Ahmed S. Al-Fatesh,Salwa B. Alreshaidan,Hui Lv,Xiao-Tian Han,Jun-Yang Yan
This study synthesized a novel double-ended hydroxyl-terminated poly(cyclohexyl ethylene) (HO-PCHE-OH), and investigated the individual and interactive effects of reaction temperature, time, and stirring speed on the synthesis of double-ended hydroxyl terminated polystyrene (HO-PS-OH) via the anionic polymerization of styrene, employing sodium-naphthalene as the initiator. A central composite design (CCD) combined with response surface methodology (RSM) was utilized for experimental design, process modelling, and optimization. The optimal reaction conditions were determined to be a temperature of 17.9 °C, a reaction time of 46.7 min, and a stirring speed of 189.1 rpm, yielding a styrene conversion of 91.1 %. The synthesized HO-PS-OH was subsequently subjected to catalytic hydrogenation to enhance its properties, achieving complete hydrogenation within 4 h at 170 °C. The successful transformation of HO-PS-OH into double-ended hydroxyl-terminated poly(cyclohexyl ethylene) (HO-PCHE-OH) was confirmed through nuclear magnetic resonance ( 1 H NMR and 13 C NMR) spectroscopy and Fourier transform infrared (FTIR) analysis. Therefore, the complete saturation of the 6-member carbon ring in HO-PCHE-OH was chemically and photochemically inert. Furthermore, the thermogravimetric analysis revealed that HO-PS-OH exhibited thermal resistance, with a degradation onset temperature of 420.85 °C, while HO-PCHE-OH demonstrated a higher degradation onset temperature of 431.55 °C.
研究领域:
高分子化学
·
材料科学
✓ 已验证
产品关联
DOI
高影响因子
ENERGY & FUELS
·
2025
·
IF 5.3
Mengna Xu,Weikang Gao,Chuanlei Liu,Peng Wei,Hui Sun
Selective separation of high-value bicyclic aromatic hydrocarbons (BAHs) from complex hydrocarbon mixtures is essential for enhancing the product value and utilization efficiency of the energy industry. Although COSMO-RS facilitates high-throughput screening of ionic liquids (ILs), the absence of a robust structure–performance relationship (SPR) limits the molecular-level design for separating weakly polar, structurally similar hydrocarbons. In this work, 1-ethyl-3-methylbenzimidazolium bis(trifluoromethylsulfonyl)imide ([EMBzIM][TF2N]) was identified as a promising extractant via COSMO-RS solubility predictions. Its extraction performance was systematically evaluated using liquid–liquid equilibrium experiments with both a representative four-component model oil and real hydrocarbon samples. The results indicate that [EMBzIM][TF2N] exhibits superior performance, achieving the highest distribution coefficient (0.5051) and selectivity (204.70) for aromatics at an aromatic concentration of 10 wt %. Furthermore, it demonstrated a stable extraction efficiency and facile regeneration over five consecutive cycles. Molecular polarity index calculations, interaction energy analysis, visualization of weak intermolecular interactions, and 1H NMR characterizations were employed to elucidate the molecular-level mechanism for this performance. The van der Waals interactions, significantly enhanced by the extended π-conjugation of the benzimidazolium cation, predominantly govern the extraction of aromatics. This study establishes a rational design strategy for ILs, integrating a COSMO-RS thermodynamic prediction with chemically interpretable SPR to achieve efficient separation of BAHs from hydrocarbon streams.
✓ 已验证
产品关联
DOI
高影响因子
危险品化学品经营许可证（带存储）