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Petroleum Science · 2022 · IF 4.757

Integration of a fused silica capillary and in-situ Raman spectroscopy for investigating CO2 solubility in n-dodecane at near-critical and supercritical conditions of CO2

Jun-Liang Wang,Zi-Hao Song,Lin-Jun Li,Li-Li Yang,Quan-Yuan Wang,I-Ming Chou,Zhi-Yan Pan

To determine the solubility of CO 2 in n-dodecane at T  = 303.15–353.15 K, P  ≤ 11.00 MPa, an integrated fused silica capillary and in-situ Raman spectroscopy system was built. The Raman peak intensity ratio ( I CO 2 / I C - H ) (ICO2/IC-H) between the upper band of CO 2 Fermi diad ( I CO 2 ICO2 ) and the C–H stretching band of n-dodecane ( I C - H ) (IC-H) was employed to determine the solubility of CO 2 in n-dodecane based on the calibrated correlation equation between the known CO 2 molality in n-dodecane and the I CO 2 / I C - H ICO2/IC-H ratio with R 2  = 0.9998. The results indicated that the solubility of CO 2 decreased with increasing temperature and increased with increasing pressure. The maximum CO 2 molality (30.7314 mol/kg) was obtained at 303.15 K and 7.00 MPa. Finally, a solubility prediction model ( ln S = ( P − A ) / B lnS=(P−A)/B ) based on the relationship with temperature ( T in K) and pressure ( P in MPa) was developed, where S is CO 2 molality, A = − 8 × 10 − 6 T 2 + 0.0354 T − 8.1605 A=−8×10−6T2+0.0354T−8.1605 , and B = 0.0405 T − 10.756 B=0.0405T−10.756 . The results indicated that the solubilities of CO 2 derived from this model were in good agreement with the experimental data.

CAS / MDL: 112-40-3 93685-81-5
研究领域: 化学工程 · 环境科学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2024 · IF 2

Speed of Sound Measurements and Thermophysical Modeling of Binary Mixtures of Methyl Laurate and n-Dodecane

Hongyu He,Taotao Zhan,Libin Chen,Ao Dong,Weijie Jia,Wenyu Li,Maogang He,Ying Zhang

The speed of sound in binary mixtures of methyl laurate and n-dodecane can directly characterize fuel injection and NOx emissions from diesel engines. Currently, experimental data on the speed of sound of binary mixtures have not yet been reported. In this study, the speeds of sound of the binary system were measured by using Brillouin light scattering. The speeds of sound were measured in the range of 298.15–568.15 K and 0.1–9 MPa. The relative combined expanded uncertainty for the reported speed of sound is estimated to be 1.6% with the level of confidence is 0.95 (k = 2). The experimental data were correlated as a function of temperature and pressure resulting with absolute average percentage deviations of 0.19, 0.16, 0.20, 0.24, and 0.22% for the mole fractions of n-dodecane being 0.100, 0.300, 0.500, 0.700, and 0.900, respectively. Considering the effect of temperature on the binary interaction parameter kij, kij of the PC-SAFT equation of state (EoS) was fitted using experimental data for methyl laurate and n-dodecane. The speeds of sound of binary system were calculated using the PC-SAFT EoS, and the average absolute relative deviation is 2.7%.

研究领域: 热物理学 · 燃料工程 · 发动机技术
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Catalysis Science & Technology · 2017 ·Vol. 7 ·期 21 ·5055-5068 · IF 5.773

High selectivity for n-dodecane hydroisomerization over highly siliceous ZSM-22 with low Pt loading

Pengyu Niu,Hongjuan Xi,Jun Ren,Minggui Lin,Qiang Wang,Litao Jia,Bo Hou,Debao Li

Highly siliceous ZSM-22 was synthesized under hydrothermal conditions with ZSM-22 seeds. Characterization by FT-IR and 1H and 29Si NMR spectroscopy confirms that due to the existence of defective sites in the siliceous ZSM-22, acidic silanol groups including vicinal silanol and silanol nests are detected. Acidic silanol groups are considered as the acid sites of siliceous ZSM-22. As a result, siliceous ZSM-22 shows much lower acid site density and lower acid strength than silica–alumina ZSM-22 which contains hydroxyl groups bridging Si and Al as acid sites. In n-dodecane isomerization, Pt/siliceous ZSM-22 shows much higher isomer selectivity than Pt/silica–alumina ZSM-22. Furthermore, a lower loading amount of Pt on siliceous ZSM-22 (about 0.2 wt% Pt) can lead to high isomer selectivity. Owing to the acidic silanol groups and the low acid site density of siliceous ZSM-22, a good balance between metal and acid function in Pt/siliceous ZSM-22 is achieved, which results in a lower allowable Pt loading value and higher isomer selectivity.

研究领域: 催化化学 · 材料科学 · 石油炼制 · 表面化学
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CHEMOSPHERE · 2021 · IF 7.086

Degradation of the mixed organic solvents of tributyl phosphate and n-dodecane by heterogeneous Fenton-like oxidation using nanoscale zero-valent iron as the catalyst

Xingchen Yang,Guoce Yu,Lejin Xu,Jianlong Wang

The treatment and disposal of spent radioactive organic solvents, i.e., tributyl phosphate (TBP) and diluent (such as kerosene, n -dodecane, etc.), produced in the reprocessing of spent fuel in the closed cycle are crucial for the sustainable development of the nuclear industry. In this study, the synthesized nanoscale zero-valent iron (nZVI) was used as the heterogeneous Fenton-like catalyst to promote the generation of hydroxyl radicals (•OH) by reacting with H 2 O 2 to degrade the mixed organic solvents of TBP and n -dodecane. nZVI was characterized by scanning electron microscopy (SEM), nitrogen adsorption/desorption isotherms, and X-ray photoelectron spectroscopy (XPS) to investigate the micro-morphology, nano-particle size, and surface valence state. The change of Fe 2+ /Fe 3+ concentration ratio during the reaction was measured to clarify the performance of nZVI. The effects of temperature, catalyst dosage, H 2 O 2 dosage, and acidifier concentration on the degradation of TBP and n -dodecane were studied, and the results were complemented by the COD of the aqueous solution and the volume reduction rate of the organic phase. The mixed organic solvents of TBP and n -dodecane containing Co 2+ were used to simulate the spent radioactive organic solvents and to study the distribution of nuclides after the reaction. The results showed that most of the radioactivity was in the residual solution, and the condensate contained almost no radioactivity. The degradation of TBP and n -dodecane was carried out separately, which showed that n -dodecane was more difficult to degrade. Density functional theory (DFT) calculations were applied to determine the adsorption energy of organic solvents and nZVI. According to the Fourier transform infrared spectra (FTIR) and their corresponding DFT calculations, liquid chromatography-mass spectrometry (LC-MS) and gas chromatography-mass spectrometry (GC-MS) of the sample after the reaction, the possible intermediates were analyzed, and the degradation mechanism was speculated.

CAS / MDL: 112-40-3 93685-81-5
研究领域: 环境科学 · 核化学与放射化学
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Catalysis Science & Technology · 2021 ·Vol. 11 ·期 6 ·2094-2102 · IF 6.119

Selective regulation of n-dodecane isomerization and cracking performance in Pt/beta catalysts via orientation control of Brønsted acid site distribution

Zhiqiang Chen,Suyao Liu,Huaike Zhang,Peng He,Jie Ren,Xiaodong Wen,Yong-Wang Li

The location of Brønsted acid sites in zeolites has been recognized as an important factor in acid-catalyzed reactions. In this work, two beta zeolites with different Brønsted acid site distributions are successfully synthesized by tuning the charge balance between the (Si–O–Al)− and TEA+ (Na+). There is no considerable change in crystallinity, textural properties, morphology and framework silicon/aluminum ratio. However, 27Al 2D 3Q MAS NMR experiments and infrared measurements (Py-IR and Me3Py-IR) reveal the different distributions of framework aluminum and Brønsted acid sites, respectively. For the conversion of n-dodecane, the location of Brønsted acid sites imposes a significant impact on the selectivity towards the skeletal rearrangement and β-scission of carbenium ions. The catalyst Pt/beta with a larger concentration of Brønsted acid sites in the 0.66 × 0.67 nm channels demonstrates lower catalytic activity but higher isomerization selectivity. However, the Pt/beta-N catalyst with more Brønsted acid sites in the 0.56 × 0.56 nm channels exhibits higher catalytic activity and higher cracking selectivity.

CAS / MDL: 77-98-5
研究领域: 催化 · 化学工程 · 物理化学
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SEPARATION AND PURIFICATION TECHNOLOGY · 2025 · IF 9

Surfactant modified PTFE-based forward osmosis membrane with high performance and superior stability

Wenpei Ye,Lijun Meng,Ruizhe Wang,Mengying Yan,Fan Yu,Yinzhou Bao,Haoyu Xing,Jun Li,Niğmet UZAL,Manhong Huang

The absence of membranes with high stability and excellent permeation performance hinders the progress of forward osmosis (FO) technology. In this work, a high-strength polytetrafluoroethylene (PTFE) substrate was used for interfacial polymerization (IP) to fabricate FO membranes. The innovative approach enhances membrane performance by improving hydrophilicity with surfactant modification to facilitate better water transport in FO. Dodecyl trimethylammonium bromide (DTAB) was added into the   aqueous phase to control the IP process, and the optimized DTAB concentration was determined to be 70 mg L −1 , which was   labeled as PTFE-DTAB 70 membrane. Characterization analysis showed that DTAB stabilized carboxyl groups in the PA layer through electrostatic interactions, inhibiting amide bond hydrolysis. After immersed for 60 days under extreme pH conditions (1–13), the membrane maintained high water flux (>16 LMH) and low reverse salt flux (<0.56 g L −1 ). Its chemical stability significantly surpassed that of commercial CTA membrane, with a 295 % increase in water flux at pH 13. When treating simulated wastewater, a 99.9 % chromium (Cr) rejection and a 96 % chemical oxygen demand (COD) rejection were obtained. The membrane showed great potential for treating high-salinity, strong acid and alkaline industrial wastewater. This study provides an innovative strategy for developing highly stable FO membranes and reveals the universal mechanism of surfactant molecular design in membrane separation.

CAS / MDL: 100-21-0
研究领域: 材料科学 · 环境工程
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Journal of Coatings Technology and Research · 2019 ·Vol. 17 ·期 3 ·657-668 · IF 1.584

Fabrication of superhydrophobic cotton fabric treated with n-dodecyltrimethoxysilane/zirconium oxychloride for highly efficient oil/water separation

Zhao Weijing,Xiao Xinyan,Pan Guangming,Ye Zhihao

A simple sol–gel method was proposed to fabricate superhydrophobic cotton fabric (S-fabric) with a water contact angle of 155.6°. A co-condensation process between zirconium hydroxide (Zr(OH) 4 ) and n -dodecyltrimethoxysilane under alkaline condition was presented. The functionalized Zr(OH) 4 NPs with long-chain alkyl groups (–(CH 2 ) 11 CH 3 ) offered both hierarchical roughness and lower surface energy for S-fabric. The functional groups, surface morphology, element distribution, and surface roughness changes were examined by FTIR, SEM, EDS, and 3D optical profiler, respectively. And the results indicated that the cotton fabric was successfully modified. The obtained cotton fabric retained chemical stability after 72 h immersion in different extreme conditions, and mechanical durability after 200 cm of abrasion length. The S-fabric could be applied in the separation of oil–water mixture ( n -hexane, n -heptane, n -dodecane, cyclohexane and kerosene) with the high efficiency (> 96%), and the efficiency remained stable after 50 separation cycles ( n -dodecane and n -hexane). The facile preparation, chemical and mechanical stability, high separation efficiency, and good reusability of S-fabric indicated the potential practical application value in oil/water separation.

研究领域: 材料科学 · 环境科学
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Catalysis Science & Technology · 2018 ·Vol. 8 ·期 24 ·6407-6419 · IF 5.365

Micropore blocked core–shell ZSM-22 designed via epitaxial growth with enhanced shape selectivity and high n-dodecane hydroisomerization performance

Pengyu Niu,Hongjuan Xi,Jun Ren,Minggui Lin,Qiang Wang,Xiaoyan Chen,Pengfei Wang,Litao Jia,Bo Hou,Debao Li

A core–shell ZSM-22 (Z@S) was synthesized via epitaxial growth. The characterization results of Z@S validated that the acid sites located on the external surface of core ZSM-22 were passivated by the epitaxial shell of highly siliceous ZSM-22 and the acid strength of ZSM-22 remained unchanged. For comparison, highly siliceous and boron-containing ZSM-22 were also synthesized and characterized. In n-dodecane hydroisomerization, highly siliceous ZSM-22 almost without acid sites at the external surface achieved a much higher iso-dodecane selectivity than boron-containing ZSM-22 with weak acid sites. Z@S with strong acid sites and passivated surface acidity showed high activity and favored pore mouth catalysis but exhibited a lowered iso-dodecane selectivity. The reduced external surface acid sites enhanced the diffusion of n-alkane into the micropores, leading to severe cracking reaction caused by acid sites on the internal surface. Further modifying Z@S via micropore blockage could greatly inhibit cracking reaction inside the micropores and confine isomerization at the pore mouth of ZSM-22. This new ZSM-22 catalyst achieved higher activity and a higher iso-dodecane yield than catalysts with weak acidity.

研究领域: 催化化学 · 材料科学 · 石油化工 · 纳米结构材料 · 表面化学
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2018 · IF 2.196

Viscosity Measurements of n-Dodecane at Temperatures between 303 K and 693 K and Pressures up to 10 MPa

Song Feng,Zhaohui Liu,Qincheng Bi,Hui Pan

The dynamic viscosities of n-dodecane were measured at temperatures between 303.3 and 693.3 K and pressures up to 10.0 MPa using a dual-capillary viscometer. The accuracy of the dual-capillary viscometer was improved by considering centrifugal effects and the thermal expansion of the capillary. The combined relative standard uncertainty in the dynamic viscosity was calculated to be 0.58–2.92 %. This study provides new data to check the accuracy of Huber’s correlations at supercritical pressures, and a small proportion of the data points at supercritical conditions where few experimental data have been reported. The average absolute deviation between the experimental data and the calculated data from Huber’s correlations is 0.97%, and the maximum absolute deviation is 6.79%. In the near-critical and supercritical region, the accuracy of viscosities of n-dodecane needs more experimental data for verification and to extend the theories.

研究领域: 化学工程 · 物理化学 · 热力学
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FUEL · 2017 · IF 4.601

A new approach for the measurement of the volume expansion of a CO2 + n-dodecane mixture in a fused silica capillary cell by Raman spectroscopy

Junliang Wang,Shuyan Zhou,Ke Bei,I-Ming Chou,Chunmian Lin,Zhiyan Pan

This work developed a new method for measuring the volume expansion of a CO 2   +   n -dodecane mixture, using a fused silica capillary cell (FSCC), combined with a heating-cooling stage and a confocal Raman spectrometer. The cell was constructed on the micron scale to reduce the temperature gradient and reagent consumption. The results confirmed the feasibility of this method that using Raman spectra to verify phase equilibrium, a digital camera to record images of the CO 2   +   n -dodecane mixture and a micrometer to measure the volume, a section of water (water seal) between n -dodecane and gas phase to prevent n -dodecane from evaporating. It was shown that the volume expansion factor of the mixture increased with pressure going from 1.0 to 10.0   MPa, but decreased as the temperature was raised from 30 to 80   °C. In addition, a positive quadratic relationship ( R 2   >   0.99) was obtained between Raman peak intensity ratio and volume expansion factor, such that more volume expansion factors could be obtained according to the equations with measured Raman peak intensity ratio data. This experiment widens the ranges of temperature and pressure in the measurements of the volume expansion, and provides more volume expansion data for CO 2 -enhanced oil recovery.

研究领域: 物理化学 · 能源科学 · 油气开采 · 光谱分析 · 热力学
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APPLIED CATALYSIS A-GENERAL · 2018 · IF 4.521

Design and synthesis of Pt/ZSM-22 catalysts for selective formation of iso-Dodecane with branched chain at more central positions from n-Dodecane hydroisomerization

Pengyu Niu,Ping Liu,Hongjuan Xi,Jun Ren,Minggui Lin,Qiang Wang,Xiaoyan Chen,Litao Jia,Bo Hou,Debao Li

The formation of centrally branched iso-dodecane was controlled by absorption modes of alkene intermediates on ZSM-22, which included pore mouth type and key lock type. In this paper, we have designed and synthesized two kinds of ZSM-22 catalysts for selective formation of iso-dodecane with branched chain at more central positions from n -dodecane hydroisomerization. Aluminosilicate ZSM-22 was modified via carbonization of template to block the micropores and borosilicate ZSM-22 was synthesized. The characterization results and performance evaluation validated that micropore blockage could limit the pore mouth type at low reaction temperatures which favored the formation of iso-dodecane with side chain near the end of the carbon chain. Owing to the weak acid strength, higher temperatures, which favored the key lock mode, were needed to run the n -dodecane hydroisomerization over Pt/borosilicate ZSM-22. Both the two strategies for catalyst design achieved key lock adsorption mode and improvement of the selectivity for centrally branched iso-dodecane. Most importantly, weak acid sites on borosilicate ZSM-22 could catalyze double-bond isomerization reactions, which enhanced centrally branched iso-dodecane distribution up to more than 47%. Our research provides a prospective strategy for selective formation of centrally branched iso-alkanes and Pt/borosilicate ZSM-22 is expected to have potential applications in n-alkane hydroisomerization.

研究领域: 催化化学 · 石油炼制 · 材料化学 · 工业化学 · 能源化学
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MICROPOROUS AND MESOPOROUS MATERIALS · 2025 · IF 4.7

The influence of the loading position of Pt/HZSM-22 and Pt/HMOR in the catalyst bed on the n-dodecane hydroisomerization performance

Jiangnan Xiang,Haiying Lu,Wei Zhang,Yujie Duan,Wenrui Jin,Yumeng Guo,Yan Wang,Jinghong Ma,Ruifeng Li,Liming Gai,Xiaowei Wang,Jianle Hou

Pt/HMOR and Pt/HZSM-22 catalysts were prepared by mechanical grinding pre-prepared Pt/Al 2 O 3 (prepared via excess wetness impregnation using H 2 PtCl 6 ·6H 2 O) with HMOR and HZSM-22 zeolites, respectively, at a 1:1 mass ratio. The influence of the loading position of Pt/HZSM-22 and Pt/HMOR in the catalyst bed on the n -dodecane hydroisomerization performance was systematically investigated using n -dodecane as the model reactant. By adjusting the relative positions of Pt/HZSM-22 and Pt/HMOR in catalyst bed, the isomers selectivity and yield of catalyst Pt/HMOR(U)-Pt/HZSM-22(D) (U and D represent the upstream catalyst bed and downstream catalyst bed, respectively) were higher than Pt/HZSM-22(U)-Pt/HMOR(D) and the difference of yield of mono-branched isomers and multi-branched isomers reached the maximum of 31.31 % and 16.78 % at the reaction temperature of 320 °C and 340 °C, respectively. In order to explore the reaction process of isomers on Pt/HZSM-22 and Pt/HMOR, 2-methylpentane was selected as the probe molecule. The results were shown that 2-methylpentane would undergo isomerization reaction on Pt/HMOR to form 2,3-dimethylbutane, while the ability to produce 2,3-dimethylbutane on Pt/HZSM-22 was weaker.

CAS / MDL: 18497-13-7
研究领域: 催化 · 化学反应工程 · 石油炼制 · 材料科学
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