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Processes · 2023 ·Vol. 11 ·期 4 ·1137 · IF 3.5

Integrated a Fused Silica Capillary Cell and In Situ Raman Spectroscopy for Determining the Solubility of CO2 in n-Decane and n-Decane + n-Hexane System

Junliang Wang,Zhenzhen Zhang,Quanyuan Wang,Tianhong Lou,Zhiyan Pan,Mian Hu

Understanding the solubility of CO2is critical for implementing CO2-enhanced oil recovery (CO2-EOR). In this work, the solubility of CO2inn-decane in a temperature range between 303.15 K and 353.15 K and pressures up to 15 MPa was measured using a fused silica capillary cell with in situ Raman spectroscopy. A semi-empirical CO2solubility prediction model was obtained according to the experimental results. In order to improve the solubility of CO2inn-decane, the solubility of CO2inn-decane and co-solventn-hexane (3% wt) mixture was also comparatively investigated. The results indicated that the solubility of CO2inn-decane was 1.6355~64.0084 mol/kg. The data from the prediction model were in good agreement with the experimental data, and the mean relative deviation was 3.65%, indicating that the prediction model could be used to predict the solubility of CO2inn-decane under different conditions. The solubility of CO2inn-decane +n-hexane system ranged from 1.0127 mol/kg to 65.7286 mol/kg. It was found that, under low-pressure conditions, the addition of co-solventn-hexane did not enhance the solubility of CO2, while it had a certain enhancement effect on the dissolution of CO2under high-pressure conditions. As the temperature increased from 303.15 K to 353.15 K, the enhancement efficiency of the solubility of CO2also increased from 1.34~2.05% to 8.17~9.82%, and the average enhancement efficiency increased from 1.74% to 9.00%. This study provides more CO2solubility data for CO2-EOR.Keywords:CO2solubility;n-decane;n-decane +n-hexane;Raman spectroscopy

CAS / MDL: 124-18-5 110-54-3
研究领域: 石油工程 · 化学工程
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FIRE AND MATERIALS · 2018 ·Vol. 42 ·期 7 ·805-815 · IF 1.22

Flash point and fire hazard analysis of three organic fuels and their aqueous solutions at low pressures

Qinpei Chen,Yaping He,Xuehui Wang,Tiannian Zhou,Chao Ding,Jian Wang

Summary To study the low pressure influence on the flash point and fire hazard of organic fuels and their aqueous solutions, a series of experiments has been conducted to measure the open-cup and closed-cup flash points of methanol, ethanol, and n -decane aqueous solutions including different mole fractions under different static pressures ranging from 35 to 101 kPa. The results show that both the pressure and fuel mole fraction have a nonlinear correlation with the flash point of the miscible fuel specimens like the correlation provided in this paper. For the partially miscible fuel specimens with a lower density than water, the water content has almost no influence on the flash point. The fire risks of the experimental results were analysed based on the standard GB50160-2008, which shows that the fire risk becomes higher at low pressures, and there is a critical pressure at the turning point of the change in fire classification. A method to achieve the critical low pressure of different fuels or aqueous solutions from the fire hazard classification is derived in this paper.

CAS / MDL: 64-17-5 124-18-5 67-56-1
研究领域: 化学工程 · 安全科学
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2021 · IF 3.178

Mutual diffusion coefficients of (isooctane + n-heptane) and (n-decane + n-heptane) from 288.15 K to 318.15 K

Yuqi Su,Taotao Zhan,Xiangyang Liu,Maogang He,Ying Zhang

The mutual diffusion coefficients of (isooctane + n-heptane) and (n-decane + n-heptane) binary solutions were measured over the mass fraction from 0.05 to 0.95 at the pressure of 0.101 MPa, and at temperatures T  = 288.15 K, 298.15 K, 308.15 K and 318.15 K, respectively. The expanded relative uncertainty of the digital holographic interferometry employed in this measurement was estimated to be 2.6% with the confidence level of 0.95 ( k  = 2). The influences of temperature and composition on the mutual diffusion coefficients were discussed. Moreover, the semi-empirical correlations of mutual diffusion coefficients for (isooctane + n-heptane) and (n-decane + n-heptane) binary mixtures were given by fitting the experimental results as a function of temperature and mass fraction. The absolute average of relative deviations of the correlations are 0.72% for (isooctane + n-heptane) and 0.54% for (n-decane + n-heptane), respectively.

研究领域: 化学 · 物理化学
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Applied Sciences-Basel · 2024 ·Vol. 14 ·期 20 ·9232 · IF 2.5

Determination of Compressed Liquid Densities for CO2 + n-Decane Using a Vibrating Tube Densimeter

Tao Jia,Jinpeng Yang,Jia Yu

Understanding the density of CO2+n-decane is crucial for designing and operating CO2capture, transport, and storage. The safety and effectiveness of CO2burial is directly affected by the density of CO2+n-decane mixtures. The liquid densities of CO2(1) +n-decane(2) mixtures with mole fractions of CO2x1= 0, 0.2032, 0.4434, 0.7589, and 0.8947 were measured using a vibrating tube densimeter. The combined expanded uncertainties of density with a level of confidence of 0.95 are estimated to be 0.6 kg·m−3. A total of 221 compressed liquid densities of CO2(1) +n-decane(2) mixtures along the five isotherms betweenT= (283 and 363) K with pressures up to 100 MPa were presented. The densities of mixtures were correlated by the modified Tait equation, resulting in absolute average deviations between the experimental and calculated values of 0.028%, 0.013%, 0.017%, 0.044%, and 0.042%. In addition, the isothermal compressibility, isobaric thermal expansivity, and excess molar volume were derived from the modified Tait equation.

CAS / MDL: 124-18-5
研究领域: 化学工程 · 环境科学
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MICROPOROUS AND MESOPOROUS MATERIALS · 2020 · IF 4.551

Catalytic performance of morphology-controlled Pd/SBA-15 in hydrogenation of alkyl-anthraquinone

Yue Zhang,Li Wang,Nan Wang,Guohua Gao,Zhiyong Pan,Baoning Zong

Monodispersed mesoporous SBA-15 silica was synthesized by adding n -decane to conventional synthesis recipe. Pd catalysts for 2-alkyl-anthraquinone hydrogenation were then prepared on the as-synthesized SBA-15 and characterized by scanning and transmission electron micrographs, X-ray diffraction, XPS spectroscopy and N 2 adsorption-desorption. At the molar ratio of n -decane to P123 (C10/P123) ranging between 120 and 240, monodispersed SBA-15, together with the shortened length of pore channels, expanded size of mesopores and decreased proportion of micropores could be obtained. The Pd catalyst on SBA-15 synthesized with 240 in C10/P123 exhibited the superior catalytic performance. The initial hydrogenation rate of 2-ethyl-, tert-butyl- and amyl-anthraquinone increases by approximately 300%, 183% and 150% compared with that on SBA-15 synthesized using a recipe without n -decane, with the selectivity to active anthraquinone of >99%.

CAS / MDL: 12125-01-8
研究领域: 化学工程 · 材料科学 · 催化
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CHEMICAL PHYSICS · 2025 · IF 2.4

Predicting surface tension and surface composition of multicomponent liquid mixtures. (I) Ternary mixtures of isopropanol, water, and n-decane or n-tetradecane

Wenchao Ma,Na Du,Wanguo Hou

Prediction of surface tension and surface composition of multicomponent liquid mixtures remains challenging. A predictive model, called the “surface aggregation adsorption” (SAA) model, was proposed recently, but its applicability needs to be examined, especially for the monophasic solutions containing immiscible components. In this work, the surface tensions of binary and ternary solutions consisting of isopropanol ( i PrOH), water, and n -decane (DA) or n -tetradecane (TDA) were determined. Based on the SAA model, the model parameters of the binary ( i PrOH–water or DA or TDA) solutions were first estimated, and then used to predict the surface tension and composition of the ternary ( i PrOH–water–DA or TDA) solutions. The predicted surface tension values for the ternary solutions are well consistent with their experimental ones. Importantly, the so-obtained information on surface compositions can provide a better understanding of the surface adsorption behavior.

CAS / MDL: 67-63-0
研究领域: 物理化学 · 材料科学
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JOURNAL OF CHEMICAL THERMODYNAMICS · 2019 · IF 2.29

PρT measurements and modelling of (n-decane + m-xylene) mixtures from 293.15 K to 363.15 K at pressures up to 60 MPa

Kai Kang,Xiaodong Liang,Georgios M. Kontogeorgis,Xiaopo Wang

In this work, the experimental measurements for liquid densities of n -decane and m -xylene binary mixtures were performed over the entire composition range with a high-pressure vibrating-tube densimeter. The range of temperatures for the present measurements was from 293.15 K to 363.15 K and the pressures were up to 60 MPa. The combined expanded uncertainty of the density measurements is estimated to be 0.001 ρ with 0.95 confidence. Experimental density values were correlated by the modified Tammann-Tait equation. The simplified Perturbed Associating Fluid Theory (sPC-SAFT) and Cubic Plus Associated (CPA) equations of state (EoS) were applied to predict the densities of n -decane and m -xylene and their mixtures. Reasonably results were observed between the experimental data and calculated results for the two equations, and the deviation is less than 0.48% and 0.89% with sPC-SAFT and CPA EoS, respectively. In addition, excess molar volumes were determined from the experimental density data as well as from sPC-SAFT and CPA models. The effects of pressure and temperature on the excess molar volume were also discussed.

研究领域: 化学工程 · 热力学 · 流体相行为 · 高压物理化学 · 状态方程建模
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ENERGY · 2019 · IF 5.537

Coking and gas products behavior of supercritical n-decane over NiO nanoparticle/nanosheets modified HZSM-5

Lin Long,Weixing Zhou,Yunfeng Qiu,Zhenzhong Lan

Endothermic hydrocarbon fuel of active thermal protection has great potential in cooling system. The bottlenecks for the practical application are the unsatisfied heat sink and severe coking issue. Here, NiO nanoparticle/nanosheet hybrid thin layers were successfully wrapped on the commercial HZSM-5 (denoted as ZSM-5@Ni M ), and showing significant modulation ability for the acidity properties of HZSM-5 to boost supercritical cracking of n-decane. The as-prepared catalysts make the NiO and HZSM-5 show synergistic effect which dramatically lowers the overall acidity of composite, thus changes the cracking path of n-decane, and results in effective anti-coking properties. ZSM-5@Ni M decelerated many additional free radicals and generated more gases products by monomolecular beta cleavage reaction. Gases products also show positively correlating with the heat sink. The catalysts improve the heat sink of n-decane from 3.77 MJ/kg at 728 °C to 4.59 MJ/kg at 780 °C. Present work demonstrates that the introduction of nanostructured metal oxides into HZSM-5 will synergistically adjust the acidity of composite, leading to the manipulation of catalytic cracking path and extent, gas products, heat sink, coking behavior of supercritical n-decane, finally providing deep insights for the design and fabrication of catalysts for hydrocarbon fuel cracking.

研究领域: 化学工程 · 催化材料科学
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JOURNAL OF ANALYTICAL AND APPLIED PYROLYSIS · 2023 · IF 6

Experimental and kinetic modeling studies of N-decane cracking initiated by nitromethane at supercritical pressure

Xi Han,Zhenjian Jia,Weixing Zhou,Haiyan Zhang

The chemical heat sink of endothermic hydrocarbon fuel has been used to solve the thermal protection problem caused by the high temperature of the scramjet combustion chamber. The fuel is usually in a supercritical state in the cooling channel, so we studied the cracking of n-decane initiated by nitromethane under supercritical pressure in an electrically heated flow reactor. Based on the experimental results, the published low-pressure cracking model and the latest theoretical results, a detailed kinetic reaction model under supercritical conditions of n-decane cracking initiated by nitromethane, including 271 species and 1863 reactions, was established. Through the simulation of the experimental results and the experimental results in the literature, it was proven that this model had good simulation accuracy. The formation rate of n-decane was analyzed to obtain the consumption path of n-decane under supercritical pressure, especially the generation process of C 3 above alkanes. The influence of nitromethane on n-decane consumption and product distribution and the cause of its range of action were also analyzed, which provided a theoretical and model basis for the engineering application of fuel.

CAS / MDL: 75-52-5
研究领域: 化学工程 · 航空航天工程 · 热能工程
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MOLECULES · 2025 ·Vol. 30 ·期 16 ·3319 · IF 4.6

Liquid-Mediated Si-OH Healing of ZSM-22 Zeolites for Improved Performance in N-Decane Hydroisomerization

Tong Chang,Renhui Deng,Jiaxin Xie,Jianyu Tang,Wenyao Gu,Zimin Peng,Suyao Liu

The abundant Si-OH groups serving as the defect sites in the ZSM-22 zeolite framework are not only closely associated with physicochemical properties and catalytic performance but are also the primary sites for attack by water molecules, thereby restricting applications involving or producing water. In the present study, a liquid-mediated healing process was used to convert the Si-OH groups in ZSM-22 zeolite into Si-O-Si bonds. The systematic investigation of the treatment solution’s composition and the hydrothermal conditions revealed that the crystallinity of ZSM-22 zeolite can be effectively enhanced following optimal healing treatment. Furthermore, the healed ZSM-22 zeolite exhibited enhanced ordering degree and pore connectivity without significant changes to the Si/Al and morphology. Moreover, the decline in Si-OH groups reduced the Lewis acid sites without altering the Brønsted acidity, which led to a slight decrease in the dispersion of Pt particles. In n-decane hydroisomerization, compared to the parent ZSM-22 zeolite catalyst, the healed catalyst demonstrates higher reactant conversion and increased isomer yield, attributing to its enhanced confinement within the micropore voids, which leads to a reduced yield of multi-branched isomers susceptible to cracking. This study presents a potential application of ZSM-22 zeolite in hydroisomerization for complex and challenging feedstocks.

CAS / MDL: 124-18-5
研究领域: 催化化学 · 材料科学 · 化学工程 · 石油化工 · 沸石化学
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JOURNAL OF MOLECULAR LIQUIDS · 2016 · IF 2.74

Isobaric (vapor + liquid) equilibria for 2-methylthiophene with n-heptane, 2,2,4-trimethylpentane, n-nonane and n-decane at 90.00 kPa

Junzhi Li,Junqiang Wang,Wei Zhao,Xiaoliang Li

Isobaric vapor-liquid equilibrium (VLE) data for the four systems n -heptane   +   2-methylthiophene, 2,2,4-trimethylpentane   +   2-methylthiophene, n -nonane   +   2-methylthiophene, n -decane   +   2-methylthiophene were measured at 90.00   kPa with a modified Rose-Williams still. Gas chromatography equipped with a flame ionization detector was used to analyze composition of the samples from the vapor-liquid equilibrium systems. All the VLE measurements passed the thermodynamic consistent test using the Herington method and the Van Ness test. The azeotropic behavior was found in the 2,2,4-trimethylpentane   +   2-methylthiophene system. The experimental data were correlated by the Wilson and NRTL activity coefficient models and also compared with the original UNIFAC predictive model. The corresponding parameters for the three models were obtained. The results exhibited that the measured data got agree well with the calculated values using the Wilson, NRTL and original UNIFAC models.

CAS / MDL: 554-14-3
研究领域: 化学工程 · 物理化学
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JOURNAL OF COLLOID AND INTERFACE SCIENCE · 2025 · IF 9.7

Nanoconfined competitive adsorption and wettability transition

Wenzhen Chu,Kaiqiang Zhang

Adsorption-driven wettability transitions are fundamental to understanding fluid–solid interfacial phenomena and their impacts on diverse processes in nature and industry. In systems with multiple fluid species, competitive adsorption introduces additional complexity by altering interfacial energy and fluid behavior. This study employs molecular simulations and atomic force microscopy to investigate the CO 2 – n- decane competitive adsorption dynamics, serving as a model for geological surface sciences. At a typical geological temperature of 323.15 K, as pressure gradually increases to 1 MPa, CO 2 molecules begin to displace the adsorbed n- decane. Due to interfacial energy effects, CO 2 preferentially adsorbs at the solid–liquid–gas three-phase contact line and gradually penetrates the solid–liquid contact interface. With further pressure increases, CO 2 molecules progressively form an adsorption layer at the solid–liquid interface, reaching a stable thickness of 1.14 nm at the pressure of 5 MPa. Beyond this value, the adsorption layer thickness decreases with increasing pressure as an indicative of the miscibility onset. A three-dimensional surface model F ad T P is constructed to quantify critical thresholds of adhesion forces, identifying the conditions driving wettability transitions. Analysis of the Gaussian curvature of the F ad surface reveals critical thresholds corresponding to the wettability transition line in the T - P space, T P = 1.00 − 1.62 × 10 7 · P + 1.71 · P 2 . These quantitatively detailed observations deepen our understanding of the mechanisms underlying competitive adsorption-induced wettability transitions. Additionally, the study underscores the role of competitive adsorption in geological CO 2 -involved activities, where CO 2 -induced wettability transitions enhance utilization efficiency and storage security. This study contributes to optimizing processes across earth and environmental, industrial, as well as carbon neutrality efforts, advancing the understanding and application of competitive adsorption and wettability transition.

CAS / MDL: 75-09-2
研究领域: 地质表面科学 · 流体-固体界面现象 · 碳捕集与封存 · 表面化学 · 材料科学
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