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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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First law-based thermodynamic analysis on Kalina cycle

ZHANG Ying, HE Maogang, JIA Zhen, LIU Xun

《能源前沿（英文）》 2008年 第2卷 第2期   页码 145-151 doi: 10.1007/s11708-008-0021-6

摘要： Based on the first law of thermodynamics, and adopting the Peng-Robinson equation (P-R equation) as the basic equation for the properties of ammonia-water mixtures, a thermodynamic analysis on a single-stage distillation Kalina cycle is presented. A program to calculate the thermodynamic properties of ammonia-water mixtures, and that for calculating the performance of Kalina cycles, were developed, with which the heat-work conversion particulars of Kalina cycles were theoretically calculated. The influences on the cycle performance of key parameters, such as the pressure and temperature at the inlet of the turbine, the back pressure of the turbine, the concentration of the working solution, the concentration of the basic solution and the cycle multiplication ratio, were analyzed.

关键词： ammonia-water     P-R     single-stage distillation     Peng-Robinson     pressure    

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Thermodynamic analysis of steam reforming of glycerol for hydrogen production at atmospheric pressure

Ammaru Ismaila, Xueli Chen, Xin Gao, Xiaolei Fan

《化学科学与工程前沿（英文）》 2021年 第15卷 第1期   页码 60-71 doi: 10.1007/s11705-020-1975-0

摘要： Thermodynamic chemical equilibrium analysis of steam reforming of glycerol (SRG) for selective hydrogen production was performed based on the Gibbs free energy minimisation method. The ideal SRG reaction (C H O +3H O→3CO +7H ) and a comprehensive set of side reactions during SRG are considered for the formation of a wide range of products. Specifically, this work focused on the analysis of formation of H CO , CO and CH in the gas phase and determination of the carbon free region in SRG under the conditions at atmospheric pressure, 600€K–1100€K and 1.013 × 10 –1.013 × 10 Pa with the steam-to-glycerol feed ratios (SGFR) of 1:5–10. The reaction conditions which favoured SRG for H production with minimum coke formation were identifies as: atmospheric pressure, temperatures of 900€K–1050€K and SGFR of 10:1. The influence of using the inert carrier gas (i.e., N ) in SRG was studied as well at atmospheric pressure. Although the presence of N in the stream decreased the partial pressure of reactants, it was beneficial to improve the equilibrium yield of H . Under both conditions of SRG (with/without inert gas), the CH production is minimised, and carbon formation was thermodynamically unfavoured at steam rich conditions of SGFR>5:1.

关键词： steam reforming of glycerol     H2     N2     carbon deposition     thermodynamic analysis     Gibbs free energy minimisation    

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Thermodynamic analysis of reaction pathways and equilibrium yields for catalytic pyrolysis of naphtha

《化学科学与工程前沿（英文）》 2022年 第16卷 第12期   页码 1700-1712 doi: 10.1007/s11705-022-2207-6

摘要： The chain length and hydrocarbon type significantly affect the production of light olefins during the catalytic pyrolysis of naphtha. Herein, for a better catalyst design and operation parameters optimization, the reaction pathways and equilibrium yields for the catalytic pyrolysis of C5–8 n/iso/cyclo-paraffins were analyzed thermodynamically. The results revealed that the thermodynamically favorable reaction pathways for n/iso-paraffins and cyclo-paraffins were the protolytic and hydrogen transfer cracking pathways, respectively. However, the formation of light paraffin severely limits the maximum selectivity toward light olefins. The dehydrogenation cracking pathway of n/iso-paraffins and the protolytic cracking pathway of cyclo-paraffins demonstrated significantly improved selectivity for light olefins. The results are thus useful as a direction for future catalyst improvements, facilitating superior reaction pathways to enhance light olefins. In addition, the equilibrium yield of light olefins increased with increasing the chain length, and the introduction of cyclo-paraffin inhibits the formation of light olefins. High temperatures and low pressures favor the formation of ethylene, and moderate temperatures and low pressures favor the formation of propylene. n-Hexane and cyclohexane mixtures gave maximum ethylene and propylene yield of approximately 49.90% and 55.77%, respectively. This work provides theoretical guidance for the development of superior catalysts and the selection of proper operation parameters for the catalytic pyrolysis of C5–8 n/iso/cyclo-paraffins from a thermodynamic point of view.

关键词： naphtha     catalytic pyrolysis     reaction pathway     equilibrium yield    

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城市固体废弃物气化的热力学分析 Article

徐鹏程, 金涌, 程易

《工程（英文）》 2017年 第3卷 第3期   页码 416-422 doi: 10.1016/J.ENG.2017.03.004

摘要：

本文的目的是用热力学分析方法来研究城市固体废弃物的气化特性。该热力学分析方法假设气化反应均达到热力学平衡条件，而不考虑反应器和过程特点。首先，我们选取了7 种城市固体废弃物( 包括厨余垃圾、木材、纸张、纺织品、橡胶、无氯塑料和聚氯乙烯)，作为水蒸气气化过程的原料，水蒸气温度为973~2273 K，水气比为1~5。研究发现，水气比对气化性质的影响与水蒸气温度对气化性质的影响基本相同。7 种城市固体废弃物之间的不同主要是由它们的组成不同引起的。接下来，我们用该热力学平衡模型对实际城市固体废弃物的气化进行了分析。研究发现，由于无机物主要影响反应器温度，因此可以将城市固体废弃物中的无机物当作 SiO2 或者 Al2O3 进行简化处理。我们采用水蒸气、氢气和空气作为气化介质，详细考察了其气体产物的组成，以便根据需要选取处理城市固体废弃物的气化介质。

关键词： 气化     废弃物处理     城市固体废弃物     热力学分析     气化介质    

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Thermodynamic and economic analyses of a coal and biomass indirect coupling power generation system

Buqing YE, Rui ZHANG, Jin CAO, Bingquan SHI, Xun ZHOU, Dong LIU

《能源前沿（英文）》 2020年 第14卷 第3期   页码 590-606 doi: 10.1007/s11708-020-0809-6

摘要： The coal and biomass coupling power generation technology is considered as a promising technology for energy conservation and emission reduction. In this paper, a novel coal and biomass indirect coupling system is proposed based on the technology of biomass gasification and co-combustion of coal and gasification gas. For the sake of comparison, a coal and biomass direct coupling system is also introduced based on the technology of co-combustion of coal and biomass. The process of the direct and the indirect coupling system is simulated. The thermodynamic and economic performances of two systems are analyzed and compared. The simulation indicates that the thermodynamic performance of the indirect coupling system is slightly worse, but the economic performance is better than that of the direct coupling system. When the blending ratio of biomass is 20%, the energy and exergy efficiencies of the indirect coupling system are 42.70% and 41.14%, the internal rate of return (IRR) and discounted payback period (DPP) of the system are 25.68% and 8.56 years. The price fluctuation of fuels and products has a great influence on the economic performance of the indirect coupling system. The environmental impact analysis indicates that the indirect coupling system can inhibit the propagation of NO and reduce the environmental cost.

关键词： biomass     indirect coupling system     process simulation     thermodynamic analysis     economic analysis    

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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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温差发电的热力过程研究及材料的塞贝克系数测定

贾磊,胡芃,陈则韶

《中国工程科学》 2005年 第7卷 第12期   页码 31-34

摘要：

建立了半导体温差发电器件的基本模型；从稳态的热传导方程出发，对发电器件进行了热力学分析，推导出P型和N型半导体内部的温度分布函数及输出功率和发电效率的表达式；测定了一种Bi-Te-Sb-Se半导体热电材料在低温下的塞贝克系数随温度的变化关系，绘制了曲线并进行数值拟合；结果表明，该种半导体热电材料在低温下性能不佳，需改进配方或生产工艺方可使用。

关键词： 半导体     温差发电     热力过程     塞贝克系数    

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Thermodynamic assessment of hydrogen production via solar thermochemical cycle based on MoO

Jiahui JIN, Lei WANG, Mingkai FU, Xin LI, Yuanwei LU

《能源前沿（英文）》 2020年 第14卷 第1期   页码 71-80 doi: 10.1007/s11708-019-0652-9

摘要： Inspired by the promising hydrogen production in the solar thermochemical (STC) cycle based on non-stoichiometric oxides and the operation temperature decreasing effect of methane reduction, a high-fuel-selectivity and CH -introduced solar thermochemical cycle based on MoO /Mo is studied. By performing HSC simulations, the energy upgradation and energy conversion potential under isothermal and non-isothermal operating conditions are compared. In the reduction step, MoO : CH = 2 and 1020 K< <1600 K are found to be most favorable for syngas selectivity and methane conversion. Compared to the STC cycle without CH , the introduction of methane yields a much higher hydrogen production, especially at the lower temperature range and atmospheric pressure. In the oxidation step, a moderately excessive water is beneficial for energy conversion whether in isothermal or non-isothermal operations, especially at H O: Mo= 4. In the whole STC cycle, the maximum non-isothermal and isothermal efficiency can reach 0.417 and 0.391 respectively. In addition, the predicted efficiency of the second cycle is also as high as 0.454 at = 1200 K and = 400 K, indicating that MoO could be a new and potential candidate for obtaining solar fuel by methane reduction.

关键词： MoO2/Mo based on solar thermochemical cycle     methanothermal reduction     isothermal and non-isothermal operation     syngas and hydrogen production     thermodynamic analysis    

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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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Thermodynamic analysis of ethanol synthesis from hydration of ethylene coupled with a sequential reaction

Jie Gao, Zhikai Li, Mei Dong, Weibin Fan, Jianguo Wang

《化学科学与工程前沿（英文）》 2020年 第14卷 第5期   页码 847-856 doi: 10.1007/s11705-019-1848-6

摘要： Coal-based ethanol production by hydration of ethylene is limited by the low equilibrium ethylene conversion at elevated temperature. To improve ethylene conversion, coupling hydration of ethylene with a potential ethanol consumption reaction was analyzed thermodynamically. Five reactions have been attempted and compared: (1) dehydration of ethanol to ethyl ether ( ), (2) dehydrogenation of ethanol to acetaldehyde ( ), (3) esterification of acetic acid with ethanol ( ), (4) dehydrogenation of ethanol to ethyl acetate ( ), and (5) oxidative dehydrogenation of ethanol to ethyl acetate ( ). The equilibrium constants and equilibrium distributions of the coupled reactions were calculated and the effects of feed composition, temperature and pressure upon the ethylene equilibrium conversion were examined. The results show that dehydrogenation of ethanol to acetaldehyde has little effect on ethylene conversion, whereas for dehydrogenation of ethanol to acetaldehyde and ethyl acetate, ethylene conversion can be improved from 8% to 12.8% and 18.5%, respectively, under conditions of H O/C H = 2, 10 atm and 300°C. The esterification of acetic acid with ethanol can greatly enhance the ethylene conversion to 22.5%; in particular, ethylene can be actually completely converted to ethyl acetate by coupling oxidative dehydrogenation of ethanol.

关键词： ethylene     ethanol     thermodynamics     coupling    

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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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标题 作者 时间 类型 操作

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

First law-based thermodynamic analysis on Kalina cycle

ZHANG Ying, HE Maogang, JIA Zhen, LIU Xun

期刊论文

Thermodynamic analysis of steam reforming of glycerol for hydrogen production at atmospheric pressure

Ammaru Ismaila, Xueli Chen, Xin Gao, Xiaolei Fan

期刊论文

Thermodynamic analysis of reaction pathways and equilibrium yields for catalytic pyrolysis of naphtha

期刊论文

城市固体废弃物气化的热力学分析

徐鹏程, 金涌, 程易

期刊论文

Thermodynamic and economic analyses of a coal and biomass indirect coupling power generation system

Buqing YE, Rui ZHANG, Jin CAO, Bingquan SHI, Xun ZHOU, Dong LIU

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

温差发电的热力过程研究及材料的塞贝克系数测定

贾磊,胡芃,陈则韶

期刊论文

Thermodynamic assessment of hydrogen production via solar thermochemical cycle based on MoO

Jiahui JIN, Lei WANG, Mingkai FU, Xin LI, Yuanwei LU

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

Thermodynamic analysis of ethanol synthesis from hydration of ethylene coupled with a sequential reaction

Jie Gao, Zhikai Li, Mei Dong, Weibin Fan, Jianguo Wang

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