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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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JOURNAL OF CHEMICAL THERMODYNAMICS · 2020 · IF 2.888

Measurement of the speed of sound in n-decane at temperatures from (298.32 to 653.95) K and pressures up to 10.0 MPa

Qi Zhou,Taotao Zhan,Junshuai Chen,Maogang He,Ying Zhang

n -Decane is a major ingredient of many transportation fuels, and is widely used as the additive in engineering domain. To supplement the existing database, the speed of sound in n -decane was measured along five isobaric lines from (0.1 to 10) MPa and at temperatures between (298.32 and 653.93) K by the Brillouin light scattering method. With the level of confidence of 0.95 (coverage factor k  = 2), the relative expanded uncertainty of our measurement system and that of the experimental speed of sound in n -decane were estimated to be less than 1.1% and 1.7%, respectively. Besides, the absolute average percentage deviation and the maximum deviation of the experimental results from values calculated with the recommended fundamental equation in the NIST Standard Reference Database 23 were found to be 1.0% and 4.4%, respectively. At the end, for temperatures between (303.15 and 373.15) K and at pressures up to 10 MPa, the derived properties of n -decane including density, isobaric heat capacity, isobaric thermal expansion, isothermal compressibility, isentropic compressibility and internal pressure were studied.

CAS / MDL: 124-18-5
研究领域: 物理化学 · 工程热力学
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FLUID PHASE EQUILIBRIA · 2017 · IF 2.473

Liquid densities for n-decane + p-xylene mixtures from 293.15 K to 363.15 K at pressures up to 60 MPa

Kai Kang,Xiaopo Wang

The experimental measurements for liquid densities of n -decane and p -xylene binary mixtures were performed over the entire composition with a high-pressure vibrating-tube densimeter. The temperature ranges for the present measurement were from 293.15 K to 363.15 K and the pressures were reached to 60 MPa. The experimental uncertainty is estimated to be 0.001 with 0.95 confidence level. Experimental density values were fitted by the modified Tammann–Tait equation. The PC-SAFT equation of state and Cibulka's equation was used to predict the densities of n -decane and p -xylene and its mixtures. In addition, derived volumetric properties, such as the excess molar volumes , the isothermal compressibility , and isobaric thermal expansivity, were calculated from the experimental density data. The effects of pressure and temperature on the derived properties were also discussed.

CAS / MDL: 124-18-5 106-42-3
研究领域: 化学工程 · 热力学
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FLUID PHASE EQUILIBRIA · 2021 · IF 2.775

Measurements and calculations of thermal conductivity for liquid n-octane and n-decane

Xiong Zheng,Dan Qu,Fa Zhang,Yu Liu,Guangzhao Qin

Hydrocarbons play an important role in lots of industrial processes. Thermal conductivity is an important thermophysical property of fluids in energy conversion process, such as the design of the heat transfer system and the evaluation of thermodynamic cycle. Thus, it is of great significance to acquire solid experimental data and develop reliable models for achieving accurate thermal conductivity of hydrocarbons. In this work, thermal conductivity of two common fuels, n-octane and n-decane, were studied by combining experimental and theoretical methods. Using the transient hot wire method, the thermal conductivity is measured with temperature ranging from 303 to 523 K and pressures ranging from 0.1 to 15 MPa. Excellent agreement is achieved by comparing our experimental results with literatures. Furthermore, the mechanism for the influence of temperature and pressure on thermal conductivity of liquid n-octane and n-decane was explored preliminarily based on Bridgman's theory. In addition, we proposed a modified model considering the critical thermal conductivity enhancement, with which the average absolute deviations are 0.49% and 0.43% for n-octane and n-decane, respectively. It is shown that our proposed model has better predictive ability for representing thermal conductivity than the four traditional theoretical models (Assael model, Sun and Teja model, Huber and Perkins model, Liu model), especially at the vicinity of the critical point. The achievements in the present study are not only useful for relevant industrial application but also helpful for understanding the thermal conductivity critical enhancement when approaching the liquid-gas critical point for n-alkanes.

CAS / MDL: 124-18-5 111-65-9
研究领域: 化学工程 · 热物理
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JOURNAL OF CHEMICAL AND ENGINEERING DATA · 2020 · IF 2.369

Density and Viscosity Measurements on the Ternary System of exo-Tetrahydrodicyclopentadiene (1) + n-Decane (2) + Iso-Butanol (3) and Corresponding Binary Systems

Xiaolin Zhao,Ji Mi,Yitong Dai,Guijin He,Yongsheng Guo,Wenjun Fang

exo-Tetrahydrodicyclopentadiene can serve as both the propellant and coolant in hypersonic vehicles. However, its applications are restricted by the poor properties of ignition and combustion to some extent. Fuel additives such as appropriate alcohols have the ability to overcome these deficits. Research on thermophysical properties of the mixtures composed of exo-tetrahydrodicyclopentadiene and fuel additives can provide important information for the research of fuel additives. In this work, densities and viscosities of the ternary system of exo-tetrahydrodicyclopentadiene (1) + n-decane (2) + iso-butanol (3) and three corresponding binary systems have been measured over the whole composition range in the temperature range from 293.15 to 333.15 K with an interval of 5 K and at pressure p = 0.1 MPa. The values of excess molar volumes (VmE) and viscosity deviations (Δη) of three binary systems and the ternary system were calculated and then fitted to the Redlich–Kister equation and four semi-empirical equations, respectively. The variations of VmE and Δη were explained from the viewpoints of intermolecular forces and structural effects. Furthermore, the Jouyban–Acree model was used to correlate the values of densities (ρ) and viscosities (η) of the studied mixtures with high accuracy.

CAS / MDL: 124-18-5 78-83-1
研究领域: 物理化学 · 燃料工程
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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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FUEL · 2023 · IF 7.4

Proposal of a new mechanism of ammonia on the coking inhibition of n-decane under supercritical conditions

Wenrui Yan,Lu Liu,Liuru Liu,Quan Zhu,Bo Wang

The coking problem of hydrocarbon fuel pyrolysis is the key factor affecting the application of active cooling technology for high-speed aircraft. The purpose of this work is to investigate the coking inhibition performance and coking mechanism of using ammonia as an additive during the thermal cracking. In this study, the pyrolysis and coking characteristics of supercritical n-decane were experimentally studied using an electrically heated tube. ICP-OES (Inductively Coupled Plasma Optical Emission Spectrometer), GC–MS (Gas Chromatograph Mass Spectrometer), SEM (Scanning Electron Microscope), EDS (Energy Dispersive Spectroscopy), TPO (Temperature Programmed Oxidation), and Raman spectroscopy are applied to characterize the anti-coking performance of the additives. The results show that the additive hardly affects the cracking of the fuel under high-temperature conditions, but the coke mass deposited on the inner surface of the tube is significantly reduced, and the coking inhibition rate can reach 80% at 750 °C. The addition of additives reduced the graphitization degree and oxidative activity of the coke. The maximum oxidation temperature of the coke obtained at 750 °C was reduced by 145 °C, and the I D /I G value of the Raman spectroscopy peak-fitting was 3.29. The new mechanism of the effect of additives on the formation of coking precursors and the deposition of coke on the surface of the tube wall is proposed. Ammonia can react with Ni of the inner metal tube and radicals generated by fuel cracking to form a carbonized film, achieving the effect of inhibiting metal catalytic coking. Meanwhile, the amino radicals generated by ammonia dehydrogenation can regulate the coking reaction path by forming a stable p - π conjugate structure with unsaturated radicals. Therefore, the research will contribute to a deeper comprehension of the coking inhibition mechanism and the development of more effective coking inhibitors, providing new technical support for active cooling technologies.

CAS / MDL: 34819-78-8
研究领域: 化学工程 · 能源科学
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JOURNAL OF SOLID STATE CHEMISTRY · 2019 · IF 2.291

Effect of phosphorus and mesopore modification on the HZSM-5 zeolites for n-decane cracking

Yu Sang,Hansheng Li

The objective of this work is to investigate the catalytic effect of a series of modified HZSM-5 zeolites on n-decane cracking at 500 °C and atmospheric pressure. The zeolite catalysts were prepared with phosphorus and/or mesopore modification by excessive impregnation and/or hydrothermal treatment , and were characterized with various methods including SEM, TEM , XRD , FTIR, N 2 adsorption-desorption measurement and NH 3 -TPD. Results show that the addition of phosphorus adjusted the distribution and strength of acid sites in the zeolite crystals. The introduced mesoporous structure improved the diffusion of reactants and products in zeolite pores during n-decane cracking. With appropriate acid amounts and distribution, as well as short channels and high specific surface area, the modified HZSM-5 nanoparticles exhibited higher catalytic activity, better light olefins selectivity and longer lifetime, compared with the original HZSM-5 zeolite. The phosphorus modified HZSM-5 zeolites coupling with MCM-41 matrix was proved to be a promising catalyst for the thermal cracking of n-decane.

CAS / MDL: 124-18-5
研究领域: 催化化学 · 材料科学
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FUEL · 2022 · IF 8.035

Experimental and numerical study on the laminar burning velocities of n-decane/toluene/air mixtures at elevated temperatures

Shengrong Xie,Xing Li,Tao Li,Jiepeng Huo,Junxiong Wang,Chenguang Wang,Xiaohan Wang

The laminar burning velocities (LBVs) of n-decane/toluene/air mixtures were measured at elevated temperatures using externally heated diverging channel (EHDC) method. The effects of initial temperature (up to 650 K), toluene blending ratio ( R C7H8  = 0 to 1.0 by liquid volume) and equivalence ratio ( ϕ  = 0.6 to 1.4) on the LBVs of n-decane/toluene/air mixtures have been investigated. Numerical computation with a detailed reaction mechanism was used to further analyze the effects of potential interactions between n-decane and toluene. It was observed that the LBVs of n-decane/toluene/air mixtures increase with the increase of initial temperature, while the LBVs decrease with the increase of toluene blending ratio. The effects of toluene on the LBVs through chemical reactions, heat and mass transfer were analyzed in detail. Moreover, the temperature compensation method, which separates the effect of adiabatic flame temperature and contribution from chemical and disunion, was used in analysis. The effects of the toluene blending on the LBV is mainly attributed to chemical term, and the thermal effect have a second order importance. The reaction pathways and sensitivity analysis show that the LBVs of stoichiometric mixtures is less sensitive to kinetic coupling. The distinct flame propagation properties of the n-decane/toluene blended fuels are determined by the distributions of reaction rates of the crucial intermediate species and radicals.

CAS / MDL: 124-18-5 108-88-3
研究领域: 燃烧学 · 化学动力学
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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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CHEMICAL ENGINEERING JOURNAL · 2024 · IF 13.3

Role of ammonia addition on the growth of polycyclic aromatic hydrocarbon and coke surface at deep cracking of endothermic hydrocarbon fuels

Wenrui Yan,Xinke Wang,Jianhua Dong,Yu Liu,Liuru Liu,Bo Wang,Quan Zhu

The active cooling technology based on endothermic hydrocarbon fuels can cause serious coking problems. Ammonia addition inhibits the coke formation at the mild fuel cracking. However, the mechanism of coke deposition under higher fuel conversion conditions remains unclear. Herein, the deep pyrolysis experiments of n-decane with ammonia addition was conducted using the electric heating method. The anti-coking performances of additives were obtained from the coking characteristics at different pyrolysis stages. The results indicate that under deep cracking conditions, the additive reacts with unsaturated free radicals produced by fuel cracking to produce aromatic heterocyclic compounds, inhibiting the formation and growth of polycyclic aromatic hydrocarbons (PAHs), thereby reducing the content of coking precursors. More importantly, the C-N compounds interact with the metals to form the spherical carbon with a predominant diamond structure, depositing as a thin film with passivation effect. As the reaction time proceeds, the film gradually smooths and maintains a thickness of about 4 μ m . In addition, passivation coating of TiN is used to further evaluate the effect of additives on the formation of surface coke. These results reveal that ammonia can ensure effective coking inhibition under long-term deep cracking conditions by affecting the growth of PAHs and coke surface.

CAS / MDL: 1336-21-6
研究领域: 化学工程 · 能源科学
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FLUID PHASE EQUILIBRIA · 2017 · IF 2.473

Compressed liquid densities of binary mixtures of n-decane + n-dodecane at temperatures from 283 K to 363 K and pressures up to 100 MPa

Tao Jia,Shengshan Bi,Jiangtao Wu

Compressed liquid densities of n -decane +  n -dodecane binary mixtures were measured with a vibrating-tube densimeter at temperatures from (283–363) K and pressures from (0.1–100) MPa over the whole range of composition . The binary mixtures n -decane (1) +  n -dodecane (2) were prepared at mole fractions of ( x 1  = 0, 0.2297, 0.4436, 0.6433 0.7841, and 1.0), respectively. The experimental densities of binary mixtures were successfully correlated with the Tait-type equation, and the absolute average percentage deviations of the experimental and calculated values were 0.048%, 0.055%, 0.059%, 0.058%, 0.068%, and 0.052%, respectively. In addition, the excess molar volume was calculated for whole range of temperature, pressure and composition.

研究领域: 物理化学 · 热力学
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