超临界 CO2萃取辣椒籽油的动力学研究简

A mathematical model for extraction of red pepper seed oil with supercritical CO2 was proposed. Some factors influencing the process were investigated, including operation pressure, temperature and extraction yield Xe （%）. The model was solved by the method of weighted residuals and used to simulate the process numerically. The kinetic equation is expressed as Xe =-16.8606exp（-t/9.98177） ＋ 16.95457 and the simulation results are in excellent agreement with the experimental data. The optimal operating parameters are 30 MPa, 318 K and 60 min.     

借助变阱宽方阱链流体状态方程模拟非电解质体系表面张力和粘度(英文)

The equation of state(EOS)for square-well chain fluid with variable range(SWCF-VR) developed in our previous work based on statistical mechanical theory for chemical association is employed for the correlations of surface tension and viscosity of common fluids and ionic liquids(ILs).A model of surface tension for multi-component mixtures is presented by combining the SWCF-VR EOS and the scaled particle theory and used to produce the surface tension of binary and ternary mixtures.The predicted surface tensions are in excellent agreement with the experimental data with an overall average absolute relative deviation(AAD)of 0.36%.A method for the calculation of dynamic viscosity of common fluids and ILs at high pressure is presented by combining Eyring’s rate theory of viscosity and the SWCF-VR EOS.The calculated viscosities are in good agreement with the experimental data with the overall AAD of 1.44% for 14 fluids in 84 cases.The salient feature is that the molecular parameters used in these models are self-consistent and can be applied to calculate different thermodynamic properties such as pVT,vapor-liquid equilibrium,caloric properties,surface tension,and viscosity.     

A Modified Peng-Robinson Equation State for Prediction of Gas Adsorption Isotherm

This research proposes a modified two-dimensional Peng-Robinson equation model to predict adsorp-tion isotherm in adsorbate-adsorbent systems. The parameters of the proposed model are calculated by using the op-timization of experimental data for the different single gas adsorption systems at various temperatures. The experi-mental adsorption equilibrium data of adsorbate-adsorbent systems was compared with the calculated results in our proposed model and the two-dimensional Hill-deBoer equation model. The proposed model as indicated in the re-sults shows a better prediction of the experimental results compared with two others.     

Hydrodynamics of air–kerosene bubble column under elevated pressure in homogeneous flow regime

A multiphase computational fluid dynamics(CFD) model coupled with the population balance equation(PBE) was developed in a homogeneous air–kerosene bubble column under elevated pressure(P). The specific pressure drop(DP/L), gas holdup(a_G), and Sauter mean diameter(d_(32)) were experimentally measured in the bubble column with 1.8 m height and 0.1 m inner diameter, which was operated at a superficial gas velocity of 12.3 mm·s~(-1), and P = 1–35 bar(1 bar = 10~5 Pa). A modified drag coefficient model was proposed to consider the effect of bubble swarm and pressure on hydrodynamics of the bubble column.The Luo breakage model was modified to account for liquid density, viscosity, surface tension and gas density. The DP/L, a_G, and d_(32) obtained from the CFD model were compared with experimental data,and the gas density-dependent parameters of the CFD model were identified. With increasing P from 1 to 35 bar, the aGvaried from 5.4% to 7.2% and the d_(32) decreased from 2.3 to 1.5 mm. The CFD-PBE model is applicable to predict hydrodynamics of pressurized bubble columns for gas–organic liquid in the homogeneous regime.     

空化流中空穴的溃灭强度和诱导的自由基浓度

Enhancing the chemical reaction processes by means of the energy released in the collapse of micro bubbles or cavities in the cavitation flow is a new research area. In the previous work, a new approach of measuring concentration of free hydroxyl radicals induced in cavitation flow by using methylene blue as the indicator was developed and used to study concentration of free radical induced in Venturi cavitation flow under various experimental conditions. In the present research, the radial evolution of a cavity bubble and the corresponding collapse pressure in sonic cavitation field are obtained by solving three different bubble dynamics equations： Rayleigh equation, Rayleigh-Plesset equation and Gilmore equation. By comparing with the experimental data on the radial evolution of a cavity bubble in the literature, it is found that the predicted results by the Gilmore equation, which takes account of the compressibility of fluid in addition to the viscosity and interfacial tension, agree with the experimental ones better than those by other two equations. Moreover, the theoretically predicted collapse pressures are consistent with the concentration of the free hydroxyl radical induced in the experimental venture. Thus, the concentration of the liberated free hydroxyl radical not only influences the reaction rate but also is used as an available parameter for measuring collapse intensity of cavities.     

Simulation of Liquid Velocity Field in a Gas-Liquid Bubble Column

A simplified turbulent model and a modified k-Σ two equation model are proposed todescribe the liquid velocity profiles in a bubble column taking into consideration of the effect of gasdrag force and gas hold-up.In the simplified mode1 the Reynolds equation of motion was adoptedand the turbulent viscosity was calculated from an empirical correlation which was deduced fromour experimental data.The calculated liquid velocity profiles were compared between the proposedmodel and the standard k-Σ two equation model as well as experimental data.The result shows thatthe proposed model simulates and predicts the liquid velocity field most satisfactorily and in goodagreement with the experimental measurement.     

离子液体[C4mim][PF6]与N, N-二甲基甲酰胺二元混合物在298.15 K～318.15 K的密度和粘度

Viscosities and densities for 1-butyl-3-methylimidazolium hexafluorophosphate （[C4mim][PF6]） and N, N-dimethylformamide （DMF） binary mixtures have been measured at the temperature range from 293.15 K to 318.15 K. It is shown that the viscosities and densities decrease monotonously with temperature and the content of DMF. Various correlation methods including Arrhenius-like equation, Sedclon et al.＇s equation, Redlich-Kister equation with four parameters, and other empirical equations were applied to evaluate these experimental data. A model based on an equation of state Ior estimating the viscosity of mixtures containing ionic liquids were proposed by coupling with the excess Gibbs free energy model of viscosity, which can synchronously calculate the viscosity and the molar volume. The results show that the model gives a deviation of 8.29% for the viscosity, and a deviation of 1.05% for the molar volume when only one temperature-independent adjustable parameter is adopted. The correlation accuracy is further improved when two parameters or one temperature-dependent parameter is used.     

计算传质法预测精馏塔效率(英文)

A computational mass transfer model is proposed for predicting the concentration profile and Murphree efficiency of sieve tray distillation column. The proposed model is based on using modified two equations formulation for closing the differential turbulent mass transfer equation with improvement by considering the vapor injected from the sieve hole to be three dimensional. The predicted concentration distributions by using proposed model were checked by experimental work conducted on a sieve tray simulator of 1.2 meters in diameter for de-sorbing the dissolved oxygen in the feed water by blowing air. The model predictions were confirmed by the ex-perimental measurement. The validation of the proposed model was further tested by comparing the simulated re-sult with the performance of an industrial scale sieve tray distillation column reported by Kunesh et al. for the strip-ping of toluene from its water solution. The predicted outlet concentration of each tray and the Murphree tray effi-ciencies under different operating conditions were in agreement with the published data. The simulated turbulent mass transfer diffusivity on each tray was within the range of the experimental result in the same sieve column re-ported by Cai et al. In addition, the prediction of the influence of sieve tray structure on the tray efficiency by using the proposed model was demonstrated.     

用活度系数模型和PCOR状态方程预测聚合物溶液中的亨利常数（英文）

In this paper, the polymer chain of rotator (PCOR) equation of state (EOS) was used together with an EOS/GE mixing rule (MHV1) and the Wilson's equation as an excess-Gibbs-energy model in the proposed approach to extend the capability and improve the accuracy of the PCOR EOS for predicting the Henry's constant of solutions containing polymers. The results of the proposed method compared with two equation of state (van der Waals and GC-Flory) and three activity coefficient models (UNIFAC, UNIFAC-FV and Entropic-FV) indicated that the PCOR EOS/Wilson's equation provided more accurate results. The interaction parameters of Wilson's equation were fitted with Henry's constant experimental data and the property parameters of PCOR, a and b, were fitted with experimental volume data (Tait equation). As a result, the present work provided a simple and useful model for prediction of Henry's constant for polymer solutions.     

Performance enhancement of water bath heater at natural gas city gate station using twisted tubes

Natural gas is transported from producing regions to consumption regions by using transmission pipelines at high pressures. At consumption regions, the pressure of natural gas is reduced in city gate stations(CGSs). Before the pressure reduction process, the temperature of natural gas is increased usually by using a water bath heater,which burns natural gas as fuel, to protect against freezing of natural gas. These types of heat exchangers have a low efficiency and consume a lot of fuel to generate the required heat. In the current study, the twisted configuration of the heating coil is proposed and investigated to enhance the heat transfer through a water bath heater with a nominal capacity of 1000 m~3·h~(-1). Firstly, the implementation procedure is validated with data collected from the CGS of Qaleh-Jiq(located in Golestan province of Iran). A very good agreement is achieved between the obtained results and the real data. Then, three different twist ratios are considered to examine the twisting effects. The proposed technique is evaluated in the terms of velocity, temperature, and pressure variations, and the results are compared with the conventional case, i.e. straight configuration. It is found that both the heat transfer rate and the pressure drop augment as the twist ratio is raised. Finally, it is concluded that the twisted tubes can reduce the length of the gas coil by about 12.5% for the model with low twist ratio, 18.75% for the model with medium twist ratio, and 25% for the model with high twist ratio as compared to the straight configuration.     

Numerical simulation of the post-filling stage in injection molding with a two-phase model

A two-phase model is presented for simulating the post-filling stage of injection molding of amorphous and semicrystalline materials. A finite-element scheme with quadratic shape function for the pressure is proposed. The melt is considered in terms of Hele-Shaw flow for a non-Newtonian fluid using a modified-Cross model with either an Arrhenius-type or WLF-type functional form to describe the viscosity under nonisothermal conditions; the compressible behavior of the polymer is assumed to obey either a double-domain Tait or single-domain Spencer Gilmore equation of state. The interfacial energy balance equation including the latent-heat effect for semicrystalline materials is coupled with the transient energy equation for the solid and melt phases in order to predict the solidified layer and temperature profile. Two well-characterized materials, namely a commercial-grade PP and PS, were used in the present work. Good agreement is obtained between the present simulation and experimental pressure traces from this study and from previous investigation in the literature. The effects of compressibility, viscosity model, and thermal properties upon the predicted pressure field are also considered.     

Modifying the tait equation with cooling-rate effects to predict the pressure–volume–temperature behaviors of amorphous polymers: Modeling and experiments

Cooling-rate effects play an important role in polymer processing because the materials experience rapid cooling when transferring from melt states to solid states. The traditional Tait equation has been used widely in representing the volumetric behaviors of polymers as a function of temperature and pressure, but not of cooling rate. Based on the dependence of glass-transition temperature on cooling rate (i.e., θ = dT_g/d log ∣ q ∣), the volumetric dependence on cooling rate is employed in this work to modify the traditional Tait P–V–T equation to become a time-dependent P–V–T model. The physical meanings of the traditional Tait equation parameters are interpreted and, thereby, parameters in the new model are derived according to the material constant θ. The controlled cooling-rate measurements of polymeric volumetric data have been performed in this work to verify the validity of the proposed model. Additionally, the material parameter θ, calculated from the measured data of polystyrene (PS) (Chi-Mei PG-33) in this work, equals 2.85 K, which is close to 2.86 K calculated from the Greiner-Schwarzl work. Furthermore, a comparison of the predicted results with the experimental data both in this work and from literature is discussed under different pressures and various cooling rates. The results have indicated that the proposed non-equilibrium P–V–T model closely correlates with experimental data.     

A numerical study of the Behaviour of Liquid and Slurry Explosives under projectile impact

The basic processes in the projectile impact of slurry explosives containing gas bubbles are investigated numerically using a two-dimensional unsteady state model. The partial differential equations derived from the laws of conservation of mass and momentum, together with the equation of state proposed by Tait are solved by means of a finite difference TENSOR computer code. The model describes the continuous time dependence of the pressure, velocity and displacement in the slurry explosive under dynamic loading.     

Specific volume of molten thermoplastic polymer composite at high pressure

The specific volume of thermoplastic polymers and composites with glass fiber have been measured at high pressure, up to 2000 kg/cm², in the molten state by a dilatometer. The specific volume and thermal expansion coefficient of the melts increase with increasing temperature at a constant pressure at a constant temperature. The data of specific volume of molten polymers were satisfactorily fitted to an empirical equation of state based on the Tait equation. Furthermore, it is found that the data of specific volume of molten composites were suitably fitted by an additive rule of Tait equation from the volume fractions of specific volume of polymers and the glass fiber in composites. The thermal expansion coefficients of molten polymers and composites are approach to the derivative values of the Tait equation, and the additive Tait equation, respectively.     

基于段塞流捕捉的高黏油气两相流模型的建立与验证

随着传统油田的快速消耗,高黏稠油的开发逐渐引起了重视。有关高黏油的气液两相流研究主要集中在国外,国内的相关研究目前还较少。本文针对高黏油气混输管路,建立了一种捕捉段塞流的形成和发展过程,并进行两相流水力计算和液塞长度统计的组合模型。通过气液相间滑移速度和液相连续性方程的求解得到管路中不同时刻和位置的持液率,以持液率的变化反映段塞的形成和发展。建立气液动量守恒方程关联持液率和压力,得到管路中各位置的压力变化。闭合关系式中,通过液塞平移速度、壁面及气液相界面的剪切力关系式加入黏度的影响,最终建立适用于高黏油气两相流的段塞捕捉模型。使用不同来源的数据验证模型计算压降和液塞长度的准确性,数据分别来源于国外研究者的实验数据和大庆油田的现场数据。结果表明,模型具有较高的计算精度,大部分压降误差在±15%以内,大部分液塞长度误差在±20%以内。     

Three‐dimensional simulation of primary and secondary penetration in a clip‐shaped square tube during a gas‐assisted injection molding process

This article proposes a generalized Newtonian model to predict the three‐dimensional gas penetration phenomenon in the GAIM process, where the gas and melt compressibility are both taken into account and hence the primary and secondary penetrations in GAIM processes are able to be quantitatively predicted. Additionally, an incompressible model requiring no outflow boundary is also presented to emphasis the influence of gas compressibility on the primary penetration. Based on a finite volume discretization, the proposed numerical model solves the complete momentum equation with two front transport equations, which are employed to track the gas/melt and air/melt interfaces. The modified Cross‐WLF model is adopted to describe the melt rheological behavior. The two‐domain modified Tait equation is exploited to represent the melt compressibility, while a polytropic model is employed to express the gas compressibility. The proposed schemes are quantitatively validated by the gas penetration characteristics in a clip‐shaped square tube, where good prediction accuracy is obtained. The influences of five major molding parameters, such as the injection pressure, mold temperature, melt temperature, delay time, and melt material on the gas penetration characteristics in the same clip‐shaped square tube via the proposed numerical approach are extensively presented and discussed. POLYM. ENG. SCI., 2008. © 2008 Society of Plastics Engineers     

Simulations of a full three‐dimensional packing process and flow‐induced stresses in injection molding

Numerical investigations of a full three‐dimensional (3D) packing process and flow‐induced stresses are presented. The model was constructed on the basis of a 3D nonisothermal weakly compressible viscoelastic flow model combined with extended pom‐pom (XPP) constitutive and Tait state equations. A hybrid finite element method (FEM)–finite volume method (FVM) is proposed for solving this model. The momentum equations were solved by the FEM, in which a discrete elastic viscous stress split scheme was used to overcome the elastic stress instability, and an implicit scheme of iterative weakly compressible Crank–Nicolson‐based split scheme was used to avoid the Ladyshenskaya–Babu?ka–Brezzi condition. The energy and XPP equations were solved by the FVM, in which an upwind scheme was used for the strongly convection‐dominated problem of the energy equation. Subsequently, the validity of the proposed method was verified by the benchmark problem, and a full 3D packing process and flow‐induced stresses were simulated. The pressure and stresses distributions were studied in the packing process and were in agreement with the results of the literature and experiments in tendency. We particularly focused on the effects of the elasticity and pressure on the flow‐induced stresses. The numerical results show that normal stress differences decreased with incremental Weissenberg number and increased with incremental holding pressure. The research results had a certain reference value for improving the properties of products in actual production processes. © 2012 Wiley Periodicals, Inc. J Appl Polym Sci, 2012     

Buildup and relaxation of molecular orientation in injection molding. Part I: Formulation

A numerical simulation model for the analysis of the buildup and, the relaxation of molecular orientation in injection-molded products has been developed. The constitutive equations of the material are described using an extended version of the viscoelastic material model developed by Leonov. The volumetric responses are described using two different equations of state, the Tait equation and an equation developed by Spencer and Gilmore. A WLF-type of equation is used for the temperature and pressure dependence. Stresses calculated with the model are coupled to birefringence by means of the stress-optical rule. Birefringence, in turn, is used to characterize the molecular orientation. The model is used to investigate the influence of the processing conditions, the mold elasticity, and the pressure dependence of the material functions on the pressure and birefringence profiles. The material data used are for polystyrene, PS 678E, and are determined experimentally.     

Pressure‐volume‐temperature properties and thermophysical analyses of AO‐60/NBR composites

AO‐60/nitrile‐butadiene rubber (AO‐60/NBR) composites with different AO‐60 contents were prepared and characterized by pressure‐volume‐temperature (PVT) dilatometry in the pressure and temperature ranges of 0–80 MPa and 25–80°C, respectively. The PVT data were analyzed in terms of the empirical Tait equation of state. The thermal expansion coefficient (α) and isothermal compressibility (β) were calculated from the best fit of the Tait equation to the PVT data. The results showed that α and β increased with AO‐60 content, and these results were related to the activity of the molecular chains and the free volume of the composite. The relations were demonstrated by the positron annihilation spectroscopy (PALS) studies. The present study hopes to provide theoretical guidance to the quantitative study of the PVT relationships and thermophysical properties of rubber materials. POLYM. ENG. SCI., 59:949–955, 2019. © 2018 Society of Plastics Engineers     

Equation of state of cis-1,4-polybutadiene melt

Recent equation of state data are analyzed in terms of the hole theory of polymer melts. The good agreement between experimental and theoretical volume-temperature curves at atmospheric pressure, observed previously for a number of amorphous and crystallizable polymers, is again confirmed. Similarly, satisfactory theoretical results for the isotherms ensue, with deviations however becoming noticeable at elevated pressures and low temperatures. The linearity of the isochores observed experimentally is confirmed by the theory, however with somewhat different slopes. Departures of maximally 10 percent from the thermal pressure coefficients derived from the experimental PVT data are noted. Significant differences between theory and experiment apper only in the third derivatives of the partition function, as has also been observed with other pollymers. The characteristic scaling parameters of volume, temperature and pressure show the expected similarity with hevea rubber. Earlier correlations for scaling entropy and segmental volume with scaling temperature are found to be valid within the scatter of these relations. Finally, the applicability of the empirical Tait equation in the form applied to the equation of state in other polymer melts is confirmed. Although the resulting thermal pressure coefficient exhibits an explicit even if smal dependence on temperature, in disagreement with experiment or theory, the Tait equation remains a useful relation for the representation of PVT information.