聚合物浓溶液气平衡估算的基团贡献法

评价了用聚合物浓溶液气液平衡估算的９种基团贡献法的预测模型,即ＡＳＯＧ,ＵＮＩＱＵＡＣ,ＵＮＩＦＡＣ,ＵＮＩＦＡＣ－ＦＶ,Ｆ－Ｈ,Ｅｌｂｒｏ－ＦＶ,ＧＫ－ＦＶ,ＧＣ－ＦｌｏｒｙＥｏＳ和ＧＣＬＦ ＥｏＳ的预测能力,建议使用ＵＮＩＦＡＣ－ＦＶ,Ｅｌｂｒｏ－ＦＶ,ＧＫ－ＦＶ,ＧＣ－ＦｌｏｒｙＥｏＳ（有待简化）４个模型来预测聚合物浓溶液的气液平衡。并展望了其今后的发展趋势。     

聚二甲基硅氧烷/溶剂体系气液平衡研究

采用气液色谱法测定了聚二甲基硅氧烷（ＰＤＭＳ）和９种溶剂在５８～１８０℃范围内,７个不同温度下无限稀溶剂活度系数和Ｆｌｏｒｙ－Ｈｕｇｇｉｎｓ相互作用参数。应用ＵＮＩＦＡＣ和ＵＮＩＦＡＣ－ＦＶ模型对ＰＤＭＳ／烃溶剂体系无限稀溶剂活度系数进行了估算。结果表明,ＵＮＩＦＡＣ－ＦＶ模型能较好地预测ＰＤＭＳ／烃溶剂体系无限稀溶剂活度系数。     

THE PREPARATION OF HIGH－PURITY，ULTRAFINE AND MONODISPERSED TITANIUM DIOXIDE POWDER FROM TITANIUM TETRACHLORIDE BY HYDROLYSIS OF TITANIUM ALKOXIDES

ＴＨＥＰＲＥＰＡＲＡＴＩＯＮＯＦＨＩＧＨ－ＰＵＲＩＴＹ，ＵＬＴＲＡＦＩＮＥＡＮＤＭＯＮＯＤＩＳＰＥＲＳＥＤＴＩＴＡＮＩＵＭＤＩＯＸＩＤＥＰＯＷＤＥＲＦＲＯＭＴＩＴＡＮＩＵＭＴＥＴＲＡＣＨＬＯＲＩＤＥＢＹＨＹＤＲＯＬＹＳＩＳＯＦＴＩＴＡＮＩＵＭＡＬＫＯ...     

EXPERIMENTAL INVESTIGATION OF KINETIC AND TRANSPORT PARAMETERS IN A WALL－COOLED FIXED－BED REACTOR

ＥＸＰＥＲＩＭＥＮＴＡＬＩＮＶＥＳＴＩＧＡＴＩＯＮＯＦＫＩＮＥＴＩＣＡＮＤＴＲＡＮＳＰＯＲＴＰＡＲＡＭＥＴＥＲＳＩＮＡＷＡＬＬ－ＣＯＯＬＥＤＦＩＸＥＤ－ＢＥＤＲＥＡＣＴＯＲＺｈｅｎ－ＭｉｎＣＨＥＮＧａｎｄＷｅｉ－ＫａｎｇＹＵＡＮ（ＵＮＩＬＡＢＲｅｓｅ...     

STUDY ON MECHANISM OF SUPERSENSITIZATION OF SOME ALLOPOLAR TRINUCLEAR CYANINE DYES

ＳＴＵＤＹＯＮＭＥＣＨＡＮＩＳＭＯＦＳＵＰＥＲＳＥＮＳＩＴＩＺＡＴＩＯＮＯＦＳＯＭＥＡＬＬＯＰＯＬＡＲＴＲＩＮＵＣＬＥＡＲＣＹＡＮＩＮＥＤＹＥＳＺＨＡＮＧＪＩＮ－ＬＯＮＧ；ＣＨＥＮＬＩＡＮ－ＳＨＥＮ；ＺＨＵＺＨＥＮＧ－ＨＵＡ（ＲｅｓｅａｒｃｈＩｎｓｔ...     

由工业氯化钙制备高纯碳酸钙微粉的研究

根据电子陶瓷行业的需要,进行了由工业ＣａＣｌ２制备高纯ＣａＣｏ３的过程研究,重点考究了ＣａＣｌ２Ｒ ＯＧＥ ＲＭＨＪＢＷＴ ＶＳ ＴＳＷＲ,ＴＦＦＵＣＦ ＵＴＫＫＧＪ ＷＸ ＮＴＣＥＲ     

永芳高级系列产品为联合国第四次世界妇女大会唯一指定专用护肤品

永芳高级系列产品为联合国第四次世界妇女大会唯一指定专用护肤品ＹＯＮＧＦＯＮＧＳＵＰＥＲＨＩＧＨ－ＱＵＡＬＩＴＹＰＲＯＤＵＣＴＳＳＥＲＩＥＳＩＳＴＨＥＳＯＬＥＳＫＩＮＣＡＲＥＣＯＳＭＥＴＩＣＳＳＰＥＣＩＡＬＬＹＤＥＳＩＧＮＡＴＥＤＢＹＴＨＥＦＯＵＲＴＨ...     

LARGE SCALE PURIFICATION OF PHOSPHOGLYCERATE KINASE（PGK） AND GLYCERALDEHYDE 3－PHOSPHATE DEHYDROGENASE（GAPDH） FROMYELLOW PEAS BY PEG／REPPAL PES AQUEOUS TWO PHASE SYSTEM AND ION EXCHANGE CHROMATOGRAPHY

ＬＡＲＧＥＳＣＡＬＥＰＵＲＩＦＩＣＡＴＩＯＮＯＦＰＨＯＳＰＨＯＧＬＹＣＥＲＡＴＥＫＩＮＡＳＥ（ＰＧＫ）ＡＮＤＧＬＹＣＥＲＡＬＤＥＨＹＤＥ３－ＰＨＯＳＰＨＡＴＥＤＥＨＹＤＲＯＧＥＮＡＳＥ（ＧＡＰＤＨ）ＦＲＯＭＹＥＬＬＯＷＰＥＡＳＢＹＰＥＧ／ＲＥＰＰＡＬ...     

R 22-R 142b-DMF 体系汽液平衡研究

利用Ｒｏｓｅ－Ｗｉｌｉａｍｓ汽液双循环等压平衡釜测定了二元体系Ｒ１４２ｂ－ＤＭＦ及三元体系Ｒ２２－Ｒ１４２ｂ－ＤＭＦ的汽液平衡数据。并分别用ＵＮＩＦＡＣ模型和ＵＮＩＦＡＣ－ＭＨ８１基团贡献型状态方程作了关联和预测，结果符合得较好。     

非共沸混合体系气液相平衡的计算

非共沸混合体系气液相平衡的计算ＣＡＬＣＵＬＡＴＩＯＮＯＮＶＡＰＯＲ－ＬＩＱＵＩＤＥＱＵＩＬＢＲＩＵＭＩＮＮＯＮ－ＡＺＥＯＴＲＯＰＩＣＳＹＳＴＥＭＳ高洪亮１前言在化工生产中，有许多单元操作是气液相平衡过程。对气液相平衡数据的关联与预测对实际化工生产具有...     

Extension of Valderrama-Patel-Teja equation of state to modelling single and mixed electrolyte solutions

The Valderrama modification of Patel-Teja equation of state (VPT EoS) has been extended to predicting fluid phase equilibria in the presence of single and mixed electrolyte solutions at high-pressure conditions. Salts have been introduced as components in the EoS by calculating their EoS parameters from corresponding cation and anion parameters. A non-density dependent mixing rule is used for calculating a, b, and c parameters of the EoS. The inclusion of salts in the EoS resulted in the omission of the Debye-Hückel electrostatic contribution term in the fugacity coefficient calculations. Water-salt binary interaction parameters (BIPs) are optimised using freezing point depression and boiling point elevation data of aqueous electrolyte solutions. Gas solubility data in aqueous electrolyte solution are used for optimising salt-gas BIPs. The predictions of the model have been compared with independent experimental data, demonstrating the reliability of the approach.     

Crossover Equation of State for Selected Hydrocarbons (C4–C7)

The organic Rankine cycle (ORC) has attracted attention for waste heat recovery and renewable energy systems. An accurate prediction for thermodynamic properties of working fluids is of great importance for cycle performance evaluations and system design. Particularly, hydrocarbons are promising for their good performance and low global warming potentials. Moreover, the thermal efficiency of the ORC is higher when the evaporation temperature is closer to the critical temperature, which makes the properties in the critical region rather important. Recent research has shown that using mixture as working fluid can achieve better temperature matches. Therefore, an equation of state (EoS) that can be extended to mixture calculations is more attractive. Specific EoS for selected hydrocarbons is precise, but very complex. Cubic EoSs, such as widely used Peng–Robinson EoS and Soave–Redlich–Kwong (SRK) EoS, fail to accurately predict liquid densities over wide pressure ranges or pressure–density–temperature (pρT) properties in the near-critical region. This work combines the volume translation approach and the crossover method to provide better prediction for thermodynamic properties in the critical region and in regions far from the critical point. A crossover volume translation SRK EoS is developed and used for n-butane, i-butane, n-pentane, i-pentane, n-hexane, i-hexane and n-heptane. The volume translation term is set as a constant to ensure the accuracy of the saturated liquid density at low reduced temperatures. Then, the crossover method is introduced into the volume translation EoS to improve the predictions of thermodynamic properties in the critical region. Six crossover parameters are used, which are constants or functions of acentric factor and critical parameters. Therefore, none of the parameters in the crossover volume translation SRK EoS is adjustable, which makes the crossover EoS totally predictive and easily extend to mixtures. Comparisons show that the crossover EoS is in much better agreement with experimental data than the original SRK EoS.     

Fluid phase behavior modeling of CO2 + molten polymer systems using cubic and theoretically based equations of state

Phase equilibrium data of CO₂ + molten polymer systems are of great relevance for chemical engineers because these are necessary for the optimal design of polymer final‐treatment processes. This kind of processes needs information about gas solubilities in polymers at several temperatures and pressures. In this work, CO₂ solubilities in molten polymers were modeled by the perturbed chain‐statistical associating fluid theory (PC‐SAFT) equation of state (EoS). For comparison, the solubilities were also calculated by the lattice gas theory (LGT) EoS, and by the well‐known Peng‐Robinson (PR) cubic EoS. To adjust the interactions between segments of mixtures, there were used classical mixing rules, with one adjustable temperature‐dependent binary parameter for the PC‐SAFT and PR EoS, and two adjustable binary parameters for the LGT EoS. The results were compared with experimental data obtained from literature. The results in terms of solubility pressure deviations indicate that the vapor–liquid behavior for CO₂ + polymer systems is better predicted by the PC‐SAFT model than by LGT and PR models. POLYM. ENG. SCI., 2008. © 2008 Society of Plastics Engineers.     

Measurement and correlation of the isobaric vapor-liquid equilibrium for mixtures of alcohol+ketone systems at atmospheric pressure

Vapor-liquid equilibrium (VLE) for binary mixtures composed of ethanol+methyl isobutyl ketone, 1-butanol+ methyl ethyl ketone, and 1-butanol+methyl propyl ketone systems was measured using a circulation type equilibrium apparatus at atmospheric pressure. The measured data and literature data for alcohol and ketone systems have been correlated by the UNIversal Quasi-Chemical (UNIQUAC) model with two binary interaction parameters and the non-random lattice fluid equation of state with hydrogen bonding equation of state (NLF-HB EoS) using a single binary interaction parameter. For the NLF-HB EoS calculations, the numbers of proton acceptor for ketones were adjusted between 0 and 1. The calculation results with the NLF-HB EoS are better than those with the UNIQUAC model.     

Modeling the phase equilibria of asymmetric hydrocarbon mixtures using molecular simulation and equations of state

Monte Carlo simulation (MC) is combined with equations of state (EoS) to develop a methodology for the calculation of the vapor–liquid equilibrium (VLE) of multicomponent hydrocarbon mixtures with high asymmetry. MC simulations are used for the calculation of the VLE of binary methane mixtures with long n-alkanes, for a wide range of temperatures and pressures, to obtain sufficient VLE data for the consistent fitting of binary interaction parameters (BIPs) for the EoS. The Soave-Redlich-Kwong (SRK), Peng-Robinson (PR), and Perturbed Chain - Statistical Associating Fluid Theory (PC-SAFT) EoS are considered. The ability of each EoS to correlate the VLE data is assessed and the selected ones are used to predict the VLE of multicomponent gas condensate mixtures. MC simulations proved to be very accurate in predicting the VLE in all conditions and mixtures considered. The BIPs regressed from the simulation dataset lead to equally accurate modeling results for multicomponent mixtures, compared to those regressed from experimental data. © 2018 American Institute of Chemical Engineers AIChE J, 65: 792–803, 2019     

Prediction of critical temperature,critical pressure and acentric factor of some ionic liquids using Patel-Teja equation of state based on genetic algorithm

Critical properties and acentric factor (ω) of 31 ionic liquids (ILs) were obtained by using vapor-liquid equilibrium data of solvent+IL consisting of P-T and P-x experimental data, based on three-parameter Patel-Teja equation of state and genetic algorithm. Optimized P _c , T _c and ω of ILs with Peng-Robinson equation of state (PR EoS) were used to model the behavior of phase equilibria of solvent+IL. Due to lack of experimental data for optimized properties, the validation was done by comparing them to the results in the literature. In each comparison the average absolute percent deviation (AAPD) for optimized properties was based on P-T experimental data, with PR EoS was minimum. For more confidence in the correctness of optimized properties, the behavior of phase equilibria of two new mixtures (i.e., water+emimDMP and methanol+emimDMP), the density and vapor pressure of some pure ILs were predicted by PR EoS, which the prediction of this EoS was satisfactory.     

立方型+缔合状态方程模拟离子液体的pVT性质和汽液平衡(英文)

Combining Peng-Robinson (PR) equation of state (EoS) with an association model derived from shield-sticky method (SSM) by Liu et al., a new cubic-plus-association (CPA) EoS is proposed to describe the ther-modynamic properties of pure ionic liquids (ILs) and their mixtures. The new molecular parameters for 25 ILs are obtained by fitting the experimental density data over a wide temperature and pressure range, and the overall aver-age deviation is 0.22%. The model parameter b for homologous ILs shows a good linear relationship with their mo-lecular mass, so the number of model parameters is reduced effectively. Using one temperature-independent binary adjustable parameter kij, satisfactory correlations of vapor-liquid equilibria (VLE) for binary mixtures of ILs + non-associating solvents and + associating solvents are obtained with the overall average deviation of vapor pressure 2.91% and 7.01%, respectively. In addition, VLE results for ILs + non-associating mixtures from CPA, lattice-fluid (LF) and square-well chain fluids with variable range (SWCF-VR) EoSs are compared.     

Phase stability analysis using the PC-SAFT equation of state and the tunneling global optimization method

Phase stability calculation is a very important topic in phase equilibrium modeling. Usually the phase stability problem is solved by minimization of the tangent plane distance (TPD) function, the sign of the objective function at its global minimum indicating the state of the mixture at given conditions. The TPD function is non-convex and may be highly non-linear, many phase stability problems being really challenging. The tunneling global optimization method had been successfully used for solving a variety of phase equilibrium problems, including stability, with cubic equations of state (EoS). In this work, we test the ability of the tunneling method to solve the phase stability problem for more complex EoS like PC-SAFT. Calculations are performed for several benchmark problems, for mixtures of non-associating molecules, from binaries to multicomponent. In one example, the mixture contains hydrogen sulphide, for which the three parameters required by the PC-SAFT EoS were unavailable in the literature. These parameters, as well as the binary interaction parameter (BIP) between hydrogen sulphide and methane, were calculated based on experimental data.     

Thermodynamic modeling of PVTx properties for several water/hydrocarbon systems in near-critical and supercritical conditions

Both the equation of state-excess Gibbs energy (EoS/G ^E ) model and the cubic plus association (CPA) equation of state (EoS) are compared in this study with respect to their accuracy in the correlation of PVTx for systems such as water/methanol, water/ethanol, water/benzene, water/toluene, water/methane, water/n-butane, water/n-pentane, water/n-hexane, water/heptane, and water/octane, in supercritical conditions within temperature and pressure ranges of (573–698 K) and (7.0–276.0 MPa), respectively. In the proposed EoS/G ^E model, Peng-Robinson (PR) equation of state, linear combination Vidal-Michelsen (LCVM) and Wong-Sandler (WS) mixing rules in conjunction with UNIQUAC activity coefficient model were used. Correlation of both CPA and EoS/G ^E models was evaluated by comparing the results with the experimental data. Average absolute relative deviation (AARD) for WS, LCVM, and CPA was found to be 2.99, 11.11 and 5.14%, respectively, indicating better correlation of WS model with the experimental data.     

Modeling of CO2 Solubility in Selected Imidazolium-Based Ionic Liquids

This study explores the use of COSMO-RS model and Peng-Robinson (PR) equation of state (EoS) to predict the solubility of carbon dioxide (CO₂) in specific ionic liquids (ILs). COSMO-RS was employed to estimate of CO₂ solubility at atmospheric pressure in eight imidazolium-based ILs resulting from the combination of ethyl, butyl, hexyl, and octyl-imidazolium cations with two anions: bis(trifluoromethylsulfonyl)imide ([Tf₂N]) and Trifluoromethanesulfonate ([TFO]). The results indicated relatively acceptable qualitative consistency between the experimental and predicted values. The PR EoS was employed at high pressure by tuning the interaction parameters to fit the experimental data reported in the literature. The model demonstrated excellent accuracy in predicting the solubility of CO₂ at pressure values less than the critical pressure of CO₂; however, at higher pressures, the calculated solubility diverged from the experimental values. Furthermore, the type of anion and cation used in the IL affected the performance of the PR EoS.