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JOURNAL OF THERMAL ANALYSIS AND CALORIMETRY · 2013 ·Vol. 113 ·期 3 ·1297-1302 · IF 1.982

Phase behavior of dodecane–tridecane mixtures confined in SBA-15

Yan X.,Wang T. B.,Pei H. R.,Wang L. P.,Lan X. Z.

Phase behavior of dodecane–tridecane ( n -C 12 H 26 –C 13 H 28 , C 12 –C 13 ) mixtures in bulk and confined in SBA-15 have been investigated using differential scanning calorimetry. Bulk C 12 –C 13 system has a complicated behavior due to special rotator phase. It has been found that phase diagram of C 12 –C 13 /SBA-15 (3.8 nm) system is a straight line, C 12 –C 13 /SBA-15 (7.8 nm) a curve, and C 12 –C 13 /SBA-15 (8.9, and 17.2 nm) a loop line. The growth of the phase diagram shows size effect on phase behavior of C 12 –C 13 mixtures. Moreover, in the range of 3.8–17.2 nm melting temperatures of pure C 12 and mixtures at mole fractions x C13  = 0.1–0.5 have linear relation with inverse pore diameter, while C 13 and mixtures at x C13  = 0.6–0.9 present curved lines. The confined mixtures show a similar melting behavior with pure C 12 , C 13 .

研究领域: 物理化学 · 材料科学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2020 · IF 2.369

Densities and Viscosities for the Ternary System of Isopropylcyclohexane (1) + n-Tridecane (2) + n-Butanol (3) and Corresponding Binaries at T = 293.15 to 333.15 K

Quan Lei,Yitong Dai,Panxi Wu,Wenjun Fang,Yongsheng Guo

It has been proven that alcohols can regulate the performance of aviation fuels. In this work, the densities (ρ) and viscosities (η) for the ternary system of isopropylcyclohexane (1) + n-tridecane (2) + n-butanol (3) and the corresponding binary systems have been measured to understand the physical properties of endothermic hydrocarbon fuel with alcohol over the whole composition range at temperatures from 293.15 to 333.15 K under atmospheric pressure (p = 0.1 MPa). The Redlich–Kister equation has been used to fit the excess molar volumes (VmE) and viscosity deviations (Δη) of binary systems, while four semiempirical equations (Singh, Cibulka, Nagata–Tamura, and Redlich–Kister) have been applied to correlate VmE and Δη of the ternary system. For all binary systems, the values of VmE are positive. The values of Δη for binary systems containing n-butanol are all negative. For the ternary system, the values of VmE are all positive and the values of Δη are all negative over the entire concentration range. All results have been interpreted with the perspective of intermolecular interaction and structural effect.

CAS / MDL: 71-36-3 629-50-5
研究领域: 物理化学 · 燃料科学
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ACS Sustainable Chemistry & Engineering · 2023 · IF 8.4

Strategies for Selective Synthesis of Biomass-Based 1,13-Tridecanediol from Furfural

Kun Yuan,Wen Zhao,Yaohong Zhou,Xiaohua Zhang,Shangxing Chen,Jing Chen,Changxiang Liu,Wanming Xiong

A novel strategy for preparing 1,13-tridecanediol by valorization of furfural was proposed, involving aldol condensation to build C13 intermediates and further hydrodeoxygenation. During this process, Raney Ni exhibited excellent catalytic performance for the initial hydrogenation (C═C and C═O) with a yield of 98.30%, while Pd/TiO2–ZrO2 showed promising de–OH and ring opening performance. Results showed that ZrO2 was necessary for de–OH and ring opening, and the catalytic performance could be improved by incorporating with TiO2 to form TiO2–ZrO2 due to the increase in weak acid sites. Also, the introduction of Pd could further promote the reaction oriented toward obtaining 1,13-tridecanediol. After optimization, 1,13-tridecanediol yield could be straightforwardly up to 57.93% in water, and it would improve to 76.51% (69.64% based on furfural) by introducing trace amounts of methanol, and even the reaction parameters (time, pressure, temperature, etc.) contributed to the distribution of products. Additionally, mechanistic investigation revealed that there were multiple simultaneous or sequential reaction steps in the hydrodeoxygenation reaction, and the superior catalytic performance of Pd/TiO2–ZrO2 for oriented upgrading of furfural into 1,13-tridecanediol could be attributed to the synergistic effect of TiO2–ZrO2 and Pd. Overall, this work may provide some insights for the utilization of biomass resources in the future.

CAS / MDL: 13520-92-8 5593-70-4
研究领域: 化学工程 · 可再生资源利用
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FUEL · 2020 · IF 5.578

A sulfur-rich segmental hyperbranched polymer as a coking inhibitor for endothermic hydrocarbon fuels

Shun Li,Yongsheng Guo,Wenjun Fang,Guijin He

A sulfur-rich segmental hyperbranched polymer , SHPGMA, is developed to inhibit the catalytic coking during the thermal cracking of hydrocarbon fuels. In this work, the SHPGMA with a narrow molecular weight range is prepared via the principle of reversible addition-fragmentation chain transfer polymerization. The decomposition of n- dodecyl in SHPGMA takes place firstly at about 170 °C, and the dissociation of the skeleton of SHPGMA occurred in the range from 290 to 500 °C, which indicates a wide onset temperature range. The cracking reactions of n- tridecane with or without SHPGMA under different conditions show that SHPGMA can inhibit the catalytic cracking of n- tridecane, which results in significant reduction of the catalytic coke, conversion and heat sink. With the function of SHPGMA, the filamentous coke deposited in the pipeline is significantly reduced, and the generated coke become incompact and small. The amount of coke per cracked n- tridecane decreases from 38.42 to 27.03 μg/g with the addition of 0.03 wt% SHPGMA-3. These results confirm the potential application of SHPGMA as the coke inhibitor to endothermic hydrocarbon fuels.

研究领域: 材料科学 · 化学工程
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JOURNAL OF MOLECULAR LIQUIDS · 2021 · IF 6.165

Experimental research on the liquid thermal conductivity of mixtures of methyl caprate and ethyl caprate with n-undecane and n-tridecane

Jing Fan,Liangliang Fan,Shuangshuo Liu,Fenhong Song

Globally, biofuel is considered as the largest renewable energy source to substitute the petrochemical fuel and it is thus received a great amount of attention from both developed countries and developing countries. Among all the biofuels, biodiesel is strongly recommended as a promising alternative fuel for traditional internal combustion engines. Thermal conductivity is an essential transport property of fuel, and is vital in the flow and heat transfer process. Therefore, it is necessary to conduct the research associated with fuel’s thermal conductivity . In this work, four binary fuel mixtures containing biodiesel components methyl caprate and ethyl caprate with n-undecane and n-tridecane were prepared respectively, and the liquid thermal conductivity of which were measured by the transient hot wire method system. The measurement was conducted at the temperature from 292 K to 362 K at atmospheric pressure. The experimental data reported here have an uncertainty of less than 2%. In addition, a correlation about the relationship between the liquid thermal conductivity with temperature and the esters’ concentration in different fuel blends has been correlated.

研究领域: 燃料化学 · 热物理性质 · 可再生能源 · 生物燃料 · 传热传质
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2019 · IF 2.298

Liquid–Liquid Equilibria for Systems of Ethanol + Octanol + Nonanol + Dodecane + Tridecane + Water at Different Temperatures under Atmospheric Pressure

Shenfeng Yuan,Yi Chen,Hong Yin,Zhirong Chen

In this work, the suitability or potential of ethanol aqueous solutions as a solvent for the extraction of alcohols from alcohol–alkane mixtures was studied. Experimental liquid–liquid equilibria (LLE) data of four quaternary systems {ethanol (1) + octanol (2) + dodecane (4) + water (6)}, {ethanol (1) + octanol (2) + tridecane (5) + water (6)}, {ethanol (1) + nonanol (3) + dodecane (4) + water (6)}, and {ethanol (1) + nonanol (3) + tridecane (5) + water (6)} were determined at T of 293.15, 298.15, and 303.15 K under atmospheric pressure. The nonrandom two-liquid model model was used to correlate binary interaction parameters. The parameters obtained from quaternary systems were used to predict six-component system LLE data. The predicted LLE data were in good agreement with the experimental data. The results showed that 75 wt % ethanol aqueous solution was suitable for separating octanol and nonanol from octanol + nonanol + dodecane + tridecane mixture and that 298.15 K was the suitable temperature.

CAS / MDL: 112-40-3 143-08-8
研究领域: 化学工程 · 物理化学 · 热力学
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RSC Advances · 2013 ·Vol. 3 ·期 39 ·18028-18035 · IF 2.562

New phase behavior of n-undecane–tridecane mixtures confined in porous materials with pore sizes in a wide mesoscopic range

Xiao Yan,Chunfeng Gao,Tongbo Wang,Liping Wang,Xiaozheng Lan

Solid–liquid phase behaviors of normal alkane mixtures, undecane–tridecane (n-C11H24–C13H28, C11–C13), in bulk and adsorbed in SBA-15 and controlled porous glass (CPG) are investigated using differential scanning calorimetry (DSC) and temperature-dependent X-ray diffraction (XRD). The bulk C11–C13 mixtures display multiple phases due to the special rotator phase RI. In very small pores of SBA-15 (pore diameter d, 3.8 nm), the mixtures exhibit a curved melting boundary on heating. Inside SBA-15 (8.9 nm), the solid mixtures can form two-phase regions of mixed orthorhombic crystals with C11 and C13 packings (O11 + O13), and (RI + O13), which might include a possible RI phase in a narrow temperature range before melting. The solid mixtures confined in CPG (8.1 nm) also display two-phase regions (O11 + O13) and (RI + O13) and a possible RI phase in a small gap. The phase diagrams of the mixtures confined in SBA-15 (17.2 nm), CPG (46.4, and 300 nm) resemble to some extent that of the bulk system and appear in the close temperature range as well. The pore size exerts significant influence on the phase behavior of the C11–C13 mixtures under confinement. From the XRD analysis, the pore solid alkane molecules show effectively 2D arrangements confined in pores of diameter less than 20 nm while the lamellar ordering recovers in large pores of CPG (46.4, and 300 nm). The pore geometries of SBA-15 and CPG, the quasi one-dimensional vs. 3D connected network, also impact greatly on the phase behavior of the pore C11–C13 mixtures. Depression of the melting points and solid–solid transition temperatures of the pure C11 and C13 follows the Gibbs–Thomson equation confined in SBA-15, while it needs an extra term of d−2 in addition to the equation under confinement of CPG.

研究领域: 物理化学 · 材料科学 · 纳米技术
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JOURNAL OF DAIRY SCIENCE · 2025 · IF 4.4

Absorption, metabolism, and bioconversion of trans-palmitoleic acid in C57BL/6J mice: Implications for lipid metabolism

Meng Wei,Zeqiang Zhou,Kequn Lin,Zeyuan Deng,Jing Li

Trans -palmitoleic acid (TPA), a naturally occurring trans fatty acid found in ruminant-derived products such as dairy, has been associated with various potential health benefits. However, its digestion, absorption, tissue distribution, and metabolic properties following oral administration remain insufficiently understood. Here, we conducted pharmacokinetic analyses in C57BL/6J mice to evaluate the absorption, tissue distribution, and metabolism of TPA following oral administration. Our data showed that the plasma concentration of TPA peaked at 9.1 µg • mL −1 at 15 min post-administration, with a terminal elimination half-life of 201.1 min. Moreover, TPA was efficiently distributed to the heart, lung, liver, kidney, brain and adipose tissue, reaching peak concentrations within 30 to 60 min. These results indicate that TPA is rapidly digested, absorbed, and distributed across multiple tissues in mice, while exhibiting slow metabolic clearance and an extended residence time in vivo. Within 0 to 480 min following oral administration, TPA underwent bioconversion to trans -vaccenic acid (TVA) and cis -9, trans -11 conjugated linoleic acid (9c11t-CLA), both of which are recognized for their extensive health benefits. The bioconversion rates were 71.57–72.44% for TVA and 44.05–53.23% for 9c11t-CLA. Furthermore, TPA significantly reduced triglyceride and total cholesterol levels in steatosis hepatocytes. Notably, inhibiting the bioconversion of TPA to TVA and 9c11t-CLA did not impair its ability to reduce lipid accumulation in hepatocytes, suggesting that the beneficial effects of TPA on lipid metabolism are independent of its bioconversion to TVA and 9c11t-CLA. This study provides a reference for dairy fat intake and establishes a foundation for further exploration of the physiological effects of TPA.

CAS / MDL: 112-80-1 629-50-5
研究领域: 营养学 · 生物化学 · 药理学
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Plants-Basel · 2024 ·Vol. 13 ·期 23 ·3300 · IF 4

The Utility of Visual and Olfactory Maize Leaf Cues in Host Finding by Adult Spodoptera frugiperda (Lepidoptera: Noctuidae)

Jie Liu,Mariam Tallat,Gensong Wang,Guoping Li,Haowen Zhang,Xujin Wu,Hongbo Qiao,Xincheng Zhao,Hongqiang Feng

The fall armyworm,Spodoptera frugiperda(Lepidoptera: Noctuidae) (FAW), is an invasive and destructive polyphagous pest that poses a significant threat to global agricultural production. The FAW mainly damages maize, with a particular preference for V3–V5 (third to fifth leaf collar) plant stages in northern China. How the FAW moth precisely locates maize plants in the V3–V5 stage at night remains unclear. The aims of this study were to evaluate the visual and olfactory cues used by the FAW to identify its host plant, maize, in order to select attractants with better trapping efficacy. Hyperspectral analysis of maize plants at different growth stages using the ASD Fieldspec 4 spectrometer was performed using mimics (moths or maize leaves sealed with transparent plastic sheets) and black cloth-covered plants for single visual and single olfactory attraction experiments. Gas chromatography–mass spectrometry (GC-MS) was used to analyze volatiles emitted from V3–V5 stage maize leaves. Volatile organic chemicals (VOCs) were screened using electroantennography (EAG) and Y-tube. Attractor efficacy was validated using mimics + VOCs. Results showed very little variance in the spectral reflectance curve of the maize at different growth stages. Fifteen VOCs were identified in the V3–V5 stage leaves of three different maize varieties, of whichcis-3-hexenyl acetate and myrcene were found in relatively high concentrations in these maize varieties. The frequency of visits attracted by single visual stimuli was significantly lower than that attracted by single olfactory or olfactory + visual cues. The attractiveness of foliarcis-3-hexenyl acetate increased as its concentration decreased. The combination of mimics +cis-3-hexenyl acetate (1 ng/μL) increased host detection efficiency and stimulated mating behavior. These results indicate that the nocturnal insect FAW primarily uses olfactory cues for host identification, with visual cues serving as a complementary modality. The synergistic effect of olfactory and visual cues increases the efficiency of host recognition. We found thatcis-3-hexenol acetate at a concentration from maize leaves is a reliable olfactory signal for the FAW. When using host plant VOCs as attractants to control adult FAWs, the role of visual cues must be considered.

研究领域: 昆虫学 · 植物保护
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Journal of Energy Chemistry · 2024 · IF 14

Catalytic production of high-energy-density spiro polycyclic jet fuel with biomass derivatives

Wen-Jing Zhang,Yan-Cheng Hu,Yan-Hong Tan,Jia Li,Ning Li,Jing-Pei Cao

High-energy-density (HED) fuel (e.g. widely used JP-10 and RJ-4), featuring compact 3D polycyclic structure with high strain, is of critical importance for volume-limited military aircraft, since their high density and combustion heat can provide more propulsion energy. To reduce the reliance on petroleum source, it is highly desirable to develop renewable alternatives for the production of strained polycyclic HED fuel, but which remains a big challenge because of the inaccessibility caused by the high strain. We herein demonstrate a three-step catalytic route towards highly strained C 17 and C 18 spirofuel with biomass feedstocks. The process includes catalytic aldol condensation of renewable cyclohexanone/cyclopentanone with benzaldehyde, catalytic spiro Diels-Alder (D-A) reaction of aldol adduct with isoprene, and catalytic hydrodeoxygenation. The key spiro D-A reaction is enabled by the catalysis of heterogeneous Lewis acidic ionic liquid. The chloroaluminate IL, formed by benign urea and AlCl 3 , exhibits good catalytic performance and reusability for this step. An eventual hydrodeoxygenation (HDO) over Pd/C and H-Y produces strained tricyclic spirofuel with density >0.93 g/mL, combustion heat >41 MJ/L and freezing point <  −40 °C, which are better than the properties of tactical fuel RJ-4. Therefore, it is anticipated that the as-prepared renewable fuels have the potential to replace traditional petroleum-derived HED fuels.

研究领域: 能源化学 · 催化科学 · 可再生能源
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INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH · 2024 · IF 3.8

Experimental and Molecular Insights into Efficient Deterpenation of Essential Oil Intensified by Extraction with Deep Eutectic Solvent

Lexuan Zhao,Hongye Cheng,Zhiwen Qi

Deep eutectic solvents (DESs) have been widely utilized to intensify separations by adjusting their structures and properties, particularly in extractive deterpenation of essential oils as green alternatives to conventional organic solvents. In this work, experimental and molecular insights into efficient deterpenation intensified by a DES containing tetrabutylammonium bromide (TBAB) and levulinic acid (LEA) were investigated with citral extraction from lemon essential oil as a case study. DES formation and preferred liquid operating window were determined through solid–liquid equilibrium; an excellent extraction performance was observed at varying citral concentrations via liquid–liquid equilibria. Extraction process was simulated with a well-correlated nonrandom two-liquid model, and a 7-fold concentration of terpenoids was achieved under optimal conditions. Fourier transform infrared spectra and molecular dynamics simulations elucidated the DES formation and extraction mechanisms. Hydrogen-bonding interactions primarily mediated by −COOH group of LEA and Br– anion of TBAB resulted in lower freezing points of DES, thereby enhancing extraction performance. The results provide valuable insights into the practical applications of DESs in separating structurally similar natural products.

CAS / MDL: 1643-19-2 629-50-5
研究领域: 化学工程 · 天然产物分离
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FUEL · 2024 · IF 6.7

Highly efficient Ni/Beta catalyst for one-step hydrodeoxygenation-isomerization of fatty acid ester to bio-jet fuel

Wenjing Zhang,Tinghu Wang,Yiming Gao,Yaru Xue,Furang Li,Chuanrui Pang,Jianye Fu,Xinmei Liu,Yuchao Lyu

The catalytic performance of bifunctional catalyst for one-step hydrodeoxygenation of fatty acid esters to bio-jet fuel is contingent upon the features of metal component and acid support. However, it remains challenging to simultaneously modulate these structural features with the impregnation method. Herein, the metal particle size, pore structures and acidity of Ni/Beta catalysts are regulated simultaneously during the citric acid-assisted impregnation process. The particle size of Ni over the Ni/Beta catalyst is greatly decreased due to the steric and coordination effect of citric acid on metal. The electron density of the small Ni particle is reduced by the enhanced electron transfer between Ni and Beta. Besides, the dealumination effect of citric acid on Beta zeolite reduces strong Brønsted acid sites and introduces 0.85 times more mesopores into the Ni/Beta catalyst, compared with the counterpart obtained by conventional impregnation method. The enhanced metal dispersion over the Ni/Beta catalyst promote hydrodeoxygenation of reactants and favor hydrodecarbonylation reaction path. The reduced Brønsted acid sites and abundant mesopores inhibit cracking of intermediate and products. The space–time yield of C 12 and C 11 reaches 33.4 mmol·g −1 ·h −1 in hydrodeoxygenation of methyl laurate which is the highest value reported.

研究领域: 催化化学 · 能源科学 · 材料科学
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