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Models of thermodynamic and transport properties of POE VG68 and R410A/POE VG68 mixture

WEI Wenjian, DING Guoliang, HU Haitao, WANG Kaijian

《能源前沿（英文）》 2008年 第2卷 第2期   页码 227-234 doi: 10.1007/s11708-008-0020-7

摘要： The thermodynamic properties of a refrigerant-oil mixture are the foundation to predict the performance of air-conditioning and refrigeration systems and to evaluate the influence of oil on heat transfer and pressure drop. Models of the thermodynamic and transport properties of POE VG68 and R410A/POE VG68 mixture were provided based on the analysis of state-of-the-art correlations. New models were developed by modifying the coefficients in existing correlations with multiple regression method according to experimental data. The maximum deviation of the predicted values of these models to the experimental data is within 5%. These models can be used for R410A/POE VG68 to obtain accurate and reliable thermodynamic and transport parameters to evaluate the influence of POE VG68 on the performance of an R410A air-conditioning and refrigeration system.

关键词： multiple regression     foundation     thermodynamic     influence     air-conditioning    

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Estimation of thermodynamic properties of the ternary molten salt system, LiF-NaF-BeF2, by the modified

ZHANG Dalin, QIU Suizheng, SU Guanghui, JIA Dounan

《能源前沿（英文）》 2007年 第1卷 第2期   页码 174-180 doi: 10.1007/s11708-007-0022-x

摘要： The molten salt reactor (MSR), which is one of the generation IV reactors, can meet the demand of transmutation and breeding. The thermodynamic properties of the molten salt system like LiF-NaF-BeF2 influence the design and construction of the fuel salt and coolant in the MSR for the new generation. In this paper, the equation of state of the ternary system 15%LiF-58%NaF-27%BeF, over the temperature range from 873.15 to 1 073.15 K at one atmosphere pressure, is described using a modified Peng-Robinson (PR) equation. The densities of the ternary system and its components are estimated by this equation directly, and compared with the experimental data. Based on the equation of state, the other thermodynamic properties such as the enthalpy, entropy and heat capacity at constant pressure are estimated by the residual function method and the fugacity coefficient method respectively. The densities calculated by PR equation are highly in agreement with the experimental data, and the enthalpy, entropy and heat capacity evaluated by the two different methods are consistent with each other. It can be concluded that the modified PR equation can be applied to evaluate the density of the molten salt system, and it is recommended that it be used as the basis to estimate the enthalpy, entropy and heat capacity of the molten salt system.

关键词： modified Peng-Robinson     coolant     consistent     MSR     entropy    

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Using thermodynamic parameters to study self-healing and interface properties of crumb rubber modified

Dongliang HU, Jianzhong PEI, Rui LI, Jiupeng ZHANG, Yanshun JIA, Zepeng FAN

《结构与土木工程前沿（英文）》 2020年 第14卷 第1期   页码 109-122 doi: 10.1007/s11709-019-0579-6

摘要： The thermodynamic property of asphalt binder is changed by the addition of crumb rubber, which in turn influences the self-healing property as well as the cohesion and adhesion within the asphalt-aggregate system. This study investigated the self-healing and interface properties of crumb rubber modified asphalt (CRMA) using thermodynamic parameters based on the molecular simulation approach. The molecular models of CRMA were built with representative structures of the virgin asphalt and the crumb rubber. The aggregate was represented by SiO and Al O crystals. The self-healing capability was evaluated with the thermodynamic parameter wetting time, work of cohesion and diffusivity. The interface properties were evaluated by characterizing the adhesion capability, the debonding potential and the moisture susceptibility of the asphalt-aggregate interface. The self-healing capability of CRMA is found to decrease as the rubber content increases. The asphalt-Al O interface with higher rubber content has stronger adhesion and moisture stability. But the influence of crumb rubber on the interfacial properties of asphalt-SiO interface has no statistical significance. Comparing with the interfacial properties of the asphalt-SiO interface, the asphalt-Al O interface is found to have a stronger adhesion but a worse moisture susceptibility for its enormous thermodynamic potential for water to displace the asphalt binder.

关键词： crumb rubber modified asphalt     surface free energy     self-healing     interface properties     molecular dynamics simulation    

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ethylene-co-vinyl alcohol) molecular weight and vinyl alcohol content on morphology, antifouling, and permeation propertiesof polysulfone ultrafiltration membrane: thermodynamic and formation hydrodynamic behavior

《化学科学与工程前沿（英文）》 2023年 第17卷 第10期   页码 1484-1502 doi: 10.1007/s11705-023-2331-y

摘要： Various hydrophilic poly(ethylene-co-vinyl alcohol) (EVOH) were used herein to precisely control the structure and hydrodynamic properties of polysulfone (PSF) membranes. Particularly, to prepare pristine PSF and PSF/EVOH blends with increasing vinyl alcohol (VOH: 73%, 68%, 56%), the non-solvent-induced phase separation (NIPS) technique was used. Polyethylene glycol was used as a compatibilizer and as a porogen in N,N-dimethylacetamide. Rheological and ultrasonic separation kinetic measurements were also carried out to develop an ultrafiltration membrane mechanism. The extracted membrane properties and filtration capabilities were systematically compared to the proposed mechanism. Accordingly, the addition of EVOH led to an increase in the rheology of the dopes. The resulting membranes exhibited a microporous structure, while the finger-like structures became more evident with increasing VOH content. The PSF/EVOH behavior was changed from immediate to delayed segregation due to a change in the hydrodynamic kinetics. Interestingly, the PSF/EVOH32 membranes showed high hydrophilicity and achieved a pure water permeability of 264 L·m–2·h–1·bar–1, which was higher than that of pure PSF membranes (171 L·m–2·h–1·bar–1). In addition, PSF/EVOH32 rejected bovine serum albumin at a high rate (> 90%) and achieved a significant restoration of permeability. Finally, from the thermodynamic and hydrodynamic results, valuable insights into the selection of hydrophilic copolymers were provided to tailor the membrane structure while improving both the permeability and antifouling performance.

关键词： polysulfone     blend modification     ultrafiltration membrane     formation hydrodynamics     poly(ethylene-co-vinyl alcohol) copolymer    

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The solubility of cefquinome sulfate in pure and mixed solvents

Rongbao Qi,Jingkang Wang,Junxiao Ye,Hongxun Hao,Ying Bao

《化学科学与工程前沿（英文）》 2016年 第10卷 第2期   页码 245-254 doi: 10.1007/s11705-016-1569-z

摘要： Solid-liquid equilibrium data of cefquinome sulfate is important to develop industrial crystallization processes for cefquinome sulfate. The solubilities of cefquinome sulfate in five pure solvents (methanol, ethanol, ethylene glycol, acetic acid and water) from 277.15 to 305.15 K and in a binary acetone-water solvent from 278.15 to 293.15 K were measured at atmospheric pressure. The pure-solvent solubility data was correlated to the modified Apelblat and Van’t Hoff equations whereas the mixed-solvent system data was correlated to the modified Apelblat, Van’t Hoff, CNIBS/R-K and Jouyban-Acree models. It was found that the solubilities of cefquinome sulfate in all tested solvents decreased with the increasing of temperature. In addition, the thermodynamic properties of the dissolution processes, including standard Gibbs free energy, enthalpy and entropy changes, were calculated using the Van’t Hoff equation. It was found that the dissolution of cefquinome sulfate is exothermic.

关键词： cefquinome sulfate     solubility     thermodynamic properties    

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Measurement and correlation of supercritical CO

Hiroshi MACHIDA, Ryosuke TAGUCHI, Yoshiyuki SATO, Louw J. FLOURUSSE, Cor J. PETERS, Richard L. SMITH

《化学科学与工程前沿（英文）》 2009年 第3卷 第1期   页码 12-19 doi: 10.1007/s11705-009-0151-3

摘要： Ionicliquids combined with supercritical fluid technology hold great promise as working solvents for developing compact processes. Ionic liquids, which are organic molten salts, typically have extremely low volatility and high functionality, but possess high viscosities, surface tensions and low diffusion coefficients, which can limit their applicability. CO , on the other hand, especially in its supercritical state, is a green solvent that can be used advantageously when combined with the ionic liquid to provide viscosity and surface tension reduction and to promote mass transfer. The solubility of CO in the ionic liquid is key to estimating the important physical properties that include partition coefficients, viscosities, densities, interfacial tensions, thermal conductivities and heat capacities needed in contactor design. In this work, we examine a subset of available high pressure pure component ionic liquid PVT data and high pressure CO - ionic liquid solubility data and report new correlations for CO -ionic liquid systems with equations of state that have some industrial applications including: (1) general, (2) fuel desulfurization, (3) CO capture, and (4) chiral separation. New measurements of solubility data for the CO and 1-butyl-3-methylimidazolium octyl sulfate, [bmim][OcSO ] system are reported and correlated. In the correlation of the CO ionic liquid phase behavior, the Peng-Robinson and the Sanchez-Lacombe equations of state were considered and are compared. It is shown that excellent correlation of CO solubility can be obtained with either equation and they share some common characteristics regarding interaction parameters. In the Sanchez-Lacombe equation, parameters that are derived from the supercritical region were found to be important for obtaining good correlation of the CO -ionic liquid solubility data.

关键词： compact processes     chiral ionic liquids     separations     thermodynamic properties     equations of state    

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Effect of thermodynamic parameters on the performance of refrigerator-ejector

Lihong CAO, Yicai LIU, Chao WAN, Tianlong XIN, Qian HUANG, Mingyan ZHANG

《能源前沿（英文）》 2010年 第4卷 第4期   页码 517-521 doi: 10.1007/s11708-010-0004-2

摘要： A 3D calculation model of a refrigerator-ejector was built and simulated in a compression/injection hybrid refrigeration cycle system by using the FLUENT software of CFD. The effect of thermodynamic parameters (the pressure of primary fluid and secondary fluid) on the performance of the refrigerator-ejector was studied. The boundary conditions were set according to the actual operating condition and the parameters of refrigerator experimental sample. The numerical calculation results show that there is one optimal pressure of primary fluid, i.e., = 0.06612 MPa, corresponding to the maximum entrainment ratio, i.e., = 0.568; and there is one optimal pressure of secondary fluid, i.e., = 0.04837 MPa, corresponding to the maximum entrainment ratio, i.e., = 0.564.

关键词： refrigerator-ejector     FLUENT     thermodynamic parameters     entrainment ratio performance    

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Preparation of adsorptive nanoporous membrane using powder activated carbon: Isotherm and thermodynamic

Majid Peyravi

《化学科学与工程前沿（英文）》 2020年 第14卷 第4期   页码 673-687 doi: 10.1007/s11705-019-1800-9

摘要： Adsorptive polyethesulfone (PES) membranes were prepared by intercalation of powder activated carbon (PAC) with and without functionalization. Accordingly, PAC was aminated with 1,5-diamino-2-methylpentane, and the physicochemical properties of the functionalized PAC were analyzed. Intercalation of PAC within the PES scaffold changed the porosity and mean pore size of the aminated membrane (AC-NH ) from 52.6% to 92.5% and from 22.6 nm to 3.5 nm, respectively. The effect of temperature on the performance of the modified membranes was monitored by the flux and chemical oxygen demand (COD) removal of leachate. At ambient temperature, the COD removal of the neat, AC-containing, and AC-NH membranes was 47%, 52%, and 58.5%, respectively. A similar increment was obtained for the membrane flux, which was due to the synergistic effect of the high porosity and large number of hydrophilic functional groups. The experimental leachate adsorption data were analyzed by Langmuir, Freundlich, and Dubinin- Radushkevich isotherm models. For all membranes, the significant thermodynamic parameters ( , , and ) were calculated and compared. The isosteric heat of adsorption was lower than 80 kJ∙mol , indicating that the interaction between the membranes and the leachate is mainly physical, involving weak van der Waals forces.

关键词： amine functionality     nanoporous membrane     adsorption isotherm     thermodynamic parameters     landfill leachate    

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A critical review on thermodynamic mechanisms of membrane fouling in membrane-based water treatment process

《环境科学与工程前沿（英文）》 2023年 第17卷 第10期 doi: 10.1007/s11783-023-1729-6

摘要：

● Fundamentals of membrane fouling are comprehensively reviewed.

关键词： Membrane fouling     Thermodynamic mechanism     XDLVO theory     Flory-Huggins theory     Fouling migration    

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Microstructure investigation of dynamic recrystallization in hard machining: From thermodynamic irreversibility

Binxun LI, Xinzhi ZHANG, Song ZHANG

《机械工程前沿（英文）》 2021年 第16卷 第2期   页码 315-330 doi: 10.1007/s11465-020-0612-4

摘要： The drastically changed thermal, mechanical, and chemical energies within the machined surface layer during hard machining tend to initiate microstructural alteration. In this paper, attention is paid to the introduction of thermodynamic potential to unravel the mechanism of microstructure evolution. First, the thermodynamic potential-based model expressed by the Helmholtz free energy was proposed for predicting the microstructure changes of serrated chip and the machined surface layer. Second, the proposed model was implemented into a validated finite element simulation model for cutting operation as a user-defined subroutine. In addition, the predicted irreversible thermodynamic state change in the deformation zones associated with grain size, which was reduced to less than 1 m from the initial size of 1.5 m on the machined surface, was provided for an in-depth explanation. The good consistency between the simulated results and experimental data validated the efficacy of the developed model. This research helps to provide further insight into the microstructure alteration during metal cutting.

关键词： thermodynamic irreversibility     Helmholtz free energy     microstructure evolution     dynamic recrystallization     hard milling    

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A thermodynamic study of the removal of HCl and H

Joseph LEE, Bo FENG

《化学科学与工程前沿（英文）》 2012年 第6卷 第1期   页码 67-83 doi: 10.1007/s11705-011-1162-4

摘要： Advanced integrated-gasification combined-cycle (IGCC) and integrated-gasification fuel cell (IFGC) systems require high-temperature sorbents that are capable of removing hydrogen chloride and hydrogen sulfide from coal derived gases to very low levels. HCl and H S are highly reactive, corrosive, and toxic gases that must be removed to meet stringent environmental regulations, to protect power generation equipment and to control the emissions of contaminants. The thermodynamic behavior of 13 sorbents for the removal of HCl and H S under various conditions including: initial toxic gas concentration (1–10000 ppm), operating pressure (0.1–11 Mpa), temperature (300 K–1500 K), and the presence of H O were investigated. The correlation between HCl and H S was also examined. Thermodynamic calculations were carried out for the reactions of the 13 sorbents using a FactSage 5.2 software package based on free energy minimization. The sorbents, Na CO , NaHCO , K CO , and CaO are capable of completely removing chlorine at high temperatures (up to ~1240 K) and at high pressures. Water vapor did not have any significant effects on the dechlorination capability of the sorbents. Nine of the sorbents namely; Cu O, Na CO , NaHCO , K CO , CaO, ZnO, MnO, FeO, and PbO, were determined to have great potential as desulfurization sorbents. Cu O and ZnO had the best performance in terms of the optimum operating temperature. The addition of water vapor to the reactant gas produces a slightly detrimental effect on most of the sorbents, but FeO exhibited the worst performance with a reduction in the maximum operating temperature of about 428 K. The dechlorination performance of the alkali sorbents was not affected by the presence of H S in the reactions. However, the desulfurization capability of some sorbents was greatly affected by the presence of HCl. Particularly, the performance of Cu O was significantly reduced when HCl was present, but the performance of FeO improved remarkably. The thermodynamic results gathered are valuable for the developments of better sorbents.

关键词： syngas cleaning     sorbent     desulfurization     dechlorination    

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A comparative thermodynamic analysis of Kalina and ORC cycles for hot dry rock: a prospect study in the

Xuelin ZHANG, Tong ZHANG, Xiaodai XUE, Yang SI, Xuemin ZHANG, Shengwei MEI

《能源前沿（英文）》 2020年 第14卷 第4期   页码 889-900 doi: 10.1007/s11708-020-0704-1

摘要： Hot dry rock is a new type of geothermal resource which has a promising application prospect in China. This paper conducted a comparative research on performance evaluation of two eligible bottoming cycles for a hot dry rock power plant in the Gonghe Basin. Based on the given heat production conditions, a Kalina cycle and three organic Rankine cycles were tested respectively with different ammonia-water mixtures of seven ammonia mass fractions and nine eco-friendly working fluids. The results show that the optimal ammonia mass fraction is 82% for the proposed bottoming Kalina cycle in view of maximum net power output. Thermodynamic analysis suggests that wet fluids should be supercritical while dry fluids should be saturated at the inlet of turbine, respectively. The maximum net power output of the organic Rankine cycle with dry fluids expanding from saturated state is higher than that of the other organic Rankine cycle combinations, and is far higher than the maximum net power output in all tested Kalina cycle cases. Under the given heat production conditions of hot dry rock resource in the Gonghe Basin, the saturated organic Rankine cycle with the dry fluid butane as working fluid generates the largest amount of net power.

关键词： hot dry rock     Kalina cycle     organic Rankine cycle     thermodynamic analysis    

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Thermodynamic models and energy distribution of single-phase heated surface in a boiler under unsteady

Xiyan GUO, Yongping YANG

《能源前沿（英文）》 2011年 第5卷 第1期   页码 69-74 doi: 10.1007/s11708-010-0117-7

摘要： A coal-fired power unit frequently operates under unsteady conditions; thus, in order to acquire scientific energy analysis of the unit, thermodynamic analysis of a single-phase heated surface in a boiler under such conditions requires investigation. Processes are analyzed, and distributions of energy and exergy are qualitatively revealed. Models for energy analysis, entropy analysis, and exergy analysis of control volumes and irreversible heat transfer processes are established. Taking the low-temperature superheater of a 610 t/h-boiler as an example, the distribution of energy, entropy production, and exergy is depicted quantitatively, and the results are analyzed.

关键词： thermodynamic model     energy distribution     boiler     unsteady conditions    

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Simulation on thermodynamic state of ammonia carbonation at low temperature and low pressure

Jingcai ZHAO, Xingfu SONG, Ze SUN, Jianguo YU

《化学科学与工程前沿（英文）》 2013年 第7卷 第4期   页码 447-455 doi: 10.1007/s11705-013-1370-1

摘要： This study on thermodynamic property of NH -CO -H O system provided the basic data for ammonia carbonation. Simulations on vapor-liquid equilibrium (VLE) of ammonia carbonation with different physical properties were discussed in NH -H O and NH -CO -H O systems, respectively. The results indicated that at low temperature (303.15 K–363.15 K) and pressure (0.1–0.4 MPa), the PR (Peng-Robinson) equation was suitable for the description of the thermodynamic state in NH -H O system. NRTL (Non-Random-Two-Liquid) series models were selected for NH -CO -H O mixed electrolyte solution system. VLE data regression results showed that NRTL series models were suitable for describing thermodynamic properties of NH -CO -H O system, because average relative error fitting with each model was about 1%. As an asymmetric electrolytes model in NRTL model, E–NRTLRK (Electrolyte NRTL Redlich Kwong) could most accurately fit VLE data of NH -CO -H O system, with fitting error less than 1%. In the extent temperature range of 273.15 K–363.15 K, the prediction of product component using E-NRTLRK model for ammonia carbonation agreed well with the data reported in literature.

关键词： vapor-liquid equilibrium     activity coefficient     carbon dioxide     ammonia     NRTL    

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Analysis of statistical thermodynamic model for binary protein adsorption equilibria on cation exchange

ZHOU Xiaopeng, SU Xueli, SUN Yan

《化学科学与工程前沿（英文）》 2007年 第1卷 第2期   页码 103-112 doi: 10.1007/s11705-007-0020-x

摘要： A study of nonlinear competitive adsorption equilibria of proteins is of fundamental importance in understanding the behavior of preparative chromatographic separation. This work describes the nonlinear binary protein adsorption equilibria on ion exchangers by the statistical thermodynamic (ST) model. The single-component and binary protein adsorption isotherms of bovine hemoglobin (Hb) and bovine serum albumin (BSA) on SP Sepharose FF were determined by batch adsorption experiments in 0.05 mol/L sodium acetate buffer at three pH values (4.5, 5.0 and 5.5) and three NaCl concentrations (0.05, 0.10 and 0.15 mol/L) at pH 5.0. The ST model was found to depict the effects of pH and ionic strength on the single-component equilibria well, with model parameters depending on the pH and ionic strength. Moreover, the ST model gave acceptable fitting to the binary adsorption data with the fitted single-component model parameters, leading to the estimation of the binary ST model parameter. The effects of pH and ionic strength on the model parameters are reasonably interpreted by the electrostatic and thermodynamic theories. Results demonstrate the availability of the ST model for describing nonlinear competitive protein adsorption equilibria in the presence of two proteins.

关键词： fundamental importance     single-component equilibria     acceptable fitting     hemoglobin     chromatographic separation    

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标题 作者 时间 类型 操作

Models of thermodynamic and transport properties of POE VG68 and R410A/POE VG68 mixture

WEI Wenjian, DING Guoliang, HU Haitao, WANG Kaijian

期刊论文

Estimation of thermodynamic properties of the ternary molten salt system, LiF-NaF-BeF2, by the modified

ZHANG Dalin, QIU Suizheng, SU Guanghui, JIA Dounan

期刊论文

Using thermodynamic parameters to study self-healing and interface properties of crumb rubber modified

Dongliang HU, Jianzhong PEI, Rui LI, Jiupeng ZHANG, Yanshun JIA, Zepeng FAN

期刊论文

ethylene-co-vinyl alcohol) molecular weight and vinyl alcohol content on morphology, antifouling, and permeation propertiesof polysulfone ultrafiltration membrane: thermodynamic and formation hydrodynamic behavior

期刊论文

The solubility of cefquinome sulfate in pure and mixed solvents

Rongbao Qi,Jingkang Wang,Junxiao Ye,Hongxun Hao,Ying Bao

期刊论文

Measurement and correlation of supercritical CO

Hiroshi MACHIDA, Ryosuke TAGUCHI, Yoshiyuki SATO, Louw J. FLOURUSSE, Cor J. PETERS, Richard L. SMITH

期刊论文

Effect of thermodynamic parameters on the performance of refrigerator-ejector

Lihong CAO, Yicai LIU, Chao WAN, Tianlong XIN, Qian HUANG, Mingyan ZHANG

期刊论文

Preparation of adsorptive nanoporous membrane using powder activated carbon: Isotherm and thermodynamic

Majid Peyravi

期刊论文

A critical review on thermodynamic mechanisms of membrane fouling in membrane-based water treatment process

期刊论文

Microstructure investigation of dynamic recrystallization in hard machining: From thermodynamic irreversibility

Binxun LI, Xinzhi ZHANG, Song ZHANG

期刊论文

A thermodynamic study of the removal of HCl and H

Joseph LEE, Bo FENG

期刊论文

A comparative thermodynamic analysis of Kalina and ORC cycles for hot dry rock: a prospect study in the

Xuelin ZHANG, Tong ZHANG, Xiaodai XUE, Yang SI, Xuemin ZHANG, Shengwei MEI

期刊论文

Thermodynamic models and energy distribution of single-phase heated surface in a boiler under unsteady

Xiyan GUO, Yongping YANG

期刊论文

Simulation on thermodynamic state of ammonia carbonation at low temperature and low pressure

Jingcai ZHAO, Xingfu SONG, Ze SUN, Jianguo YU

期刊论文

Analysis of statistical thermodynamic model for binary protein adsorption equilibria on cation exchange

ZHOU Xiaopeng, SU Xueli, SUN Yan

期刊论文