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Low pressure vapor-liquid equilibrium validation with special pseudo-components

第十七届全国化学热力学和热分析学术会议

作者： R.J.Liu H.X.Yang C.Li J.Tong J.Z.Yang Liaoning University

The ionic liquids(ILs) [Cnmim][Pro](n = 4, 5, 6)(1-alkyl-3-methylimidazolium propionate) were prepared by the neutralization method and characterized by 1H-NMR spectroscopy and differential scanning calorimetry(DSC). Using isothermogravimetrical analysis, the vapor pressures in the temperature range of 423.1563.15 K and the enthalpy of vaporization, △g lHo m(Tav), at the average temperature, Tav, for these ILs were determined [1-2]. The difference of heat capacities between the vapor phase and the liquid phase, △g lCp o m, for [Cnmim][Pro](n = 4, 5, 6) were calculated based on the statistical thermodynamics using Verevkin’s method. Therefore, in terms of △g lCp o m, the value of △g lHo m(Tav) can be transformed into △g lHo m(298). Based on Clausius-Clapeyron equation, the hypothetical temperature of normal boiling point(NBP), Tb for [Cnmim][Pro](n = 4, 5, 6) were estimated. In terms of Tb, the values of entropy and the Gibbs free energy of vaporization for these ILs were predicted at different temperatures. Based on Hildebrand’s theory a new method to predict the polarity of the ILs was put forward. The order of the predicted polarity for the ILs is in good agreement with the experiment value.

关键词： Ionic liquid Isothermogravimetrical analysis vapor pressure Polarity

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Low pressure vapor-liquid equilibrium validation with specia...

[Y(dbm)_(3)(H_(2)O)]:Synthesis,thermal behavior and spin-coating precursor for Y_(2)O_(3)layer formation

第36届中国控制会议

作者： Pan He Jizheng Chu College of Information Science and Technology Beijing University of Chemical Technology

ISBN: (纸本)9781538629185

For simplified dynamic simulation of operations of multiple feed stream and feed changes in petroleum distillation,petroleum oil and their distillation products are characterized with special pseudocomponents（SPCs）.A stock or product,characterized by SPCs with invariant physicochemical properties defined in pairs of light and heavy oil cuts of narrow boiling range,is treated as mixtures of defined components.In this paper,the feasibility of SPCs on low vapor-liquid equilibrium（VLE）model is verified by vapor pressure calculation.Characterization procedures for both SPCs and CPCs are described,and the consistency of SPCs and CPCs representing substance entities for vapor pressure are verified through calculations with petroleum.

关键词： vapor-liquid equilibrium vapor pressure low pressure petroleum pseudocomponent

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Journal of Rare Earths 2017年第12期35卷 1248-1254页

作者： Elaheh Pousaneh Andrea Preuβ Khaybar Assim Julian Noll Alexander Jakob Tobias Rüffer Heinrich Lang Technische Universitat Chemnitz Faculty of Natural SciencesInstitute of ChemistryInorganic Chemistry

The synthesis,structure and thermal behavior of [Y（dbm）3（H2 O）]（3）（dbm = 1,3-diphenyl-1,3-propandionate） and its use as a spin-coating precursor for Y2 O3 deposition is reported. Complex 3 was prepared by the reaction of [Y（NO3）3·6 H2 O]（1） with 3 equiv of Hdbm（2） in presence of NaOH. The molecular structure of 3 in the solid-state was determined by single X-ray crystal diffraction. Both C1 symmetric crystallographically independent species of 3 possess a YO7 coordination setup with minor deviation from an ideal capped octahedron coordination geometry（∧ enantiomer）. Complex 3 forms a1 D chain, due to intermolecular hydrogen bonds between the coordinated H2 O molecule and the 0 atom of the dbm ligand, respectively. The thermal decomposition behavior of 3 was investigated by thermogravimetric studies in the temperature range of 40-800 ℃ and 40-1300 ℃ under an oxygen and argon atmosphere, respectively. Powder X-ray diffraction（PXRD） measurements of the residues confirmed the formation of Y2 O3. Complex 3 was applied as a spin-coating precursor for yttrium oxide film formation on either Si wafers with a continuous 100 nm thick SiO2 film, or with a native oxide layer.The as-deposited Y2 O3 layers are smooth, conformal, dense and transparent and are of a thickness of 27 and 30 nm, respectively.

关键词： Yttrium β-Diketonate Yttrium oxide Spin-coating Solid-state structure vapor pressure

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Characteristics of Crack Growth in High Performance Concrete Subjected to Fire

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Journal of Materials Science & Technology 2005年第1期21卷 118-122页

作者： GaifeiPENG SammyYinNinCHAN JianhuaYAN YefengLIU QuanxinYI FacultyofCivilEngineering&Architecture BeijingJiaoTongUniversityBeijing100044China Wong&ChengConsultingEngineersLtd. HongKongChina BeijingUniversityofTechnology Beijing100022China

An experimental investigation was conducted to identify the characteristics of crack growth in high performance concrete (HPC) subjected to fire, including two parts of work, i.e. crack growth resistance determinations and cracking observations, using concrete of three strength grades 40 MPa, 70 MPa, and 110 MPa. The crack growth resistance curves (R-curves ) of HPC subjected to high temperatures were determined using notched three-point bend beam specimens of 100 mm×100 mm×300mm. The R-curve (crack growth resistance curve) flattening shows that the crack growth resistance has been significantly reduced by elevated temperature. Concrete with a higher strength grade has a steeper R-curve, with a higher fracture toughness but a shorter critical crack growth. The shorter critical crack growth means that concrete of a higher strength grade has a more brittle behavior. The concrete cracking observations reveal that the consequences of rapid heating are quite different from those of slow heating. For slow heating at a rate of 0.5℃/min, HPC suffered no obvious cracking below 600℃ even if it had a high moisture content. Explosive spalling is an extreme case of the internal cracking driven mainly by vapor pressure. All these results confirmed the vapor pressure mechanism for spading behavior which should be more significant for denser concrete. The crack growth ranges obtained from the R-curve determination results are in good agreement with those measured in the concrete cracking observations.

关键词： High performance concrete Fire resistance Explosive spoiling Crack growth vapor pressure

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INTERNAL CHLORINATION OF Ni-Cr-Ce ALLOY EXPOSURE TO CHLORINE AT 575℃

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Transactions of Nonferrous Metals Society of China 1996年第1期6卷 106-109页

作者： Tu Jiangping Liu Maoshen Mao Zhiyuan Li Zhizhang Department of Materials Science and Engineering Zhejiang University Hangzhou 310027

The kinetics of internal chlorination of Ni-Cr-Ce alloy in chlorine at 575℃ has been studied.Internal chlorination of Ni-Cr-Ce alloy occurred to formation of CrCl_(2) and CeCl_(3) solid precipi-tates which is thermodynamically stable and has lower vapor pressure at the temperature along grain boundaries.At initial corrosion stage,the internal chlorination rate nearly followed parabolic rate law,the internal chlorination was accompanied by the consumption of the alloy by volatilization corrosion which obeyed a linear rate equation,the thickness of the internal chlorination region would be governed by a paralinear rate equation.After a sufficiently long period of corrosion,the rate of internal chlorina-tion would be equal to the rate of overall metal consumption,the depth of internal chlorination approaches a steady state value.Addition of Ce to Ni-Cr alloy increased the degree of internal chlorination.

关键词： internal chlorination vapor pressure chloride

Prediction of reservoir brine properties using radial basis function (RBF) neural network

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Petroleum 2015年第4期1卷 349-357页

作者： Afshin Tatar Saeid Naseri Nick Sirach Moonyong Lee Alireza Bahadori oung Researchers and Elite Club North Tehran BranchIslamic Azad UniversityTehranIran Department of Petroleum Engineering Ahwaz Faculty of Petroleum Engineering Petroleum University of TechnologyAhwazIran Southern Cross University School of EnvironmentScience and EngineeringPO Box 157LismoreNSWAustralia School of Chemical Engineering Yeungnam UniversityGyeungsanRepublic of Korea

Aquifers,which play a prominent role as an effective tool to recover hydrocarbon from reservoirs,assist the production of hydrocarbon in various ways.In so-called water flooding methods,the pressure of the reservoir is intensified by the injection of water into the formation,increasing the capacity of the reservoir to allow for more hydrocarbon extraction.Some studies have indicated that oil recovery can be increased by modifying the salinity of the injected brine in water flooding methods.Furthermore,various characteristics of brines are required for different calculations used within the petroleum industry.Consequently,it is of great significance to acquire the exact information about PVT properties of brine extracted from reservoirs.The properties of brine that are of great importance are density,enthalpy,and vapor pressure.In this study,radial basis function neural networks assisted with genetic algorithm were utilized to predict the mentioned properties.The root mean squared error of 0.270810,0.455726,and 1.264687 were obtained for reservoir brine density,enthalpy,and vapor pressure,respectively.The predicted values obtained by the proposed models were in great agreement with experimental values.In addition,a comparison between the proposed model in this study and a previously proposed model revealed the superiority of the proposed GA-RBF model.

关键词： Reservoir brine Intelligent method Density Enthalpy vapor pressure Radial basis function neural network

新型沸点仪测定气液平衡:0.5 MPa下酯+醇体系(英文)

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Chinese Journal of Chemical Engineering 2010年第6期18卷 1000-1007页

作者： P.Susial A.Sosa-Rosario R.Rios-Santana School of Industrial Engineering University of Las Palmas de Gran Canaria

A new dynamic ebulliometer is used to determine vapor-liquid equilibrium(VLE) data experimentally. In the equipment,both phases are recirculated. Its operation is a consequence of the Cotrell pump effect produced when the mixture is heated in a double-walled inverted vessel. The reliability of the apparatus is tested with the mixtures studied previously by various authors. VLE data for the binary systems of methyl acetate + methanol and the methyl acetate + ethanol at 0.5 MPa are determined. The experimental data are confirmed with the point-to-point test of van Ness,applying the Fortran program of Frendslund et al. In addition,the experimental results are com-pared with the UNIFAC(including different versions) and ASOG prediction models.

关键词： vapor-liquid equilibrium vapor-liquid equilibrium apparatus vapor pressure alcohol

离子液体[BMIM][DBP]+水+甲醇/乙醇三元工质溶液蒸汽压的测量和预测(英文)

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Chinese Journal of Chemical Engineering 2013年第8期21卷 886-893页

作者：张晓冬胡大鹏赵宗昌 School of Chemical Machinery Dalian University of Technology School of Chemical Engineering Dalian University of Technology

The ionic liquid, 1-butyl-3-methylimidazolium dibutylphosphate ([BMIM][DBP]) was prepared and the vapor pressures of three set of binary solutions H2O(1)/CH3OH(1)/C2H5OH(1) + [BMIM][DBP](2) were measured at different temperature and in the ILs mole fraction range from 0.1 to 0.6 with a static equilibrium apparatus. The measured vapor pressures were correlated with Non-Random Two Liquid (NRTL) activity coefficient model and the average relative deviations (ARD) between experimental and correlated vapor pressures for these binary solutions were 3.19%, 2.42% and 2.95%, respectively. Then, the vapor pressures of two set of ternary solutions H2O(1) + CH3OH(2)/C2H5OH(2) + [BMIM][DBP](3) were measured with an inclined boiling apparatus and further predicted with NRTL activity coefficient model based on the binary interaction parameters coming from fitting the vapor pressures of the binary solutions. The results indicated that the ternary solutions containing [BMIM][DBP] were shown a strong negative deviation from Raoult’s Law when the mole fraction of [BMIM][DBP] was larger than 0.2, which meant that ternary solutions could absorb the refrigerant vapors at the same or below solution temperature. Meanwhile, the average relative deviations between experimental and predicted vapor pressures for ternary solutions were 2.92% and 3.06%, respectively. Consequently, the NRTL active coefficient model used for non-electrolyte solutions was still valid for predicting vapor-liquid equilibrium of binary or ternary solutions containing ILs.

关键词： ionic liquid ternary working fluids vapor pressure NRTL model absorption refrigeration

Study on Mechanism of Explosive Spalling of ULC Castables During Rapid Drying

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China's Refractories 2015年第4期24卷 1-6页

作者： WANG Zhanmin ZHAO Jin CAO Xiying YU Lingyan ZHANG Sanhua SHI Gan HUANG Yufei ZHU Zhu State Key Laboratory of Advanced Refractories Sinosteel Luoyang Institute of Refractories Research Co.Ltd. Hechi University

Inner vapor pressure and temperature of vulnerable explosive spalling positions in refractory castables during rapid drying were measured by embedding pressure transmitting pipes and thermocouples during casting. The measured vapor pressure, temperature, and tensile strength of the castables were analyzed and discussed. A hollow sphere shell model was used to analyze the stress induced by the vapor pressure based on the structure of refractory castables. The mechanism of refractory castables explosive spalling caused by vapor-induced pore split was proposed. By comparing the vapor-induced stress and the tensile strength of the castables, the explosive spalling mechanism was validated quantitatively.

关键词： refractory castables explosive spalling vapor pressure tensile strength drying

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