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Kinetics and thermodynamics of the phosphine adsorption on the modified activated carbon

Bingnan REN

《化学科学与工程前沿（英文）》 2011年 第5卷 第2期   页码 203-208 doi: 10.1007/s11705-010-0571-0

摘要： The kinetics and the thermodynamics of phosphine (PH ) adsorption on the modified activated carbon have been explained for the adsorption process of PH . This study investigated the kinetic and thermodynamic properties of PH adsorption on the activated carbon impregnated with 5% HCl solution. The thermodynamic properties including PH adsorption isotherm and adsorption heat were separately investigated at 20°C, 70°C, 90°C. The results showed that the Freundlich-type isotherm equation described the isotherms well. The adsorption capacity increased with increasing temperature between 20°C and 70°C. Between 70°C and 90°C, the adsorption capacity decreased obviously with increasing temperature. The adsorption capacity reached the maximum at 70°C. By analyzing the results of the kinetics and the thermodynamics, we found that the adsorption of PH was dominated by physical adsorption at the lower temperature (20°C). Then with increasing temperature, chemical adsorption gradually dominated in the adsorption process. The adsorption capacity decreased at above 70°C is due to the exothermic effects in the process of adsorption.

关键词： adsorption     PH3     activated carbon     kinetics     thermodynamics    

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Adsorption of herring sperm DNA onto pine sawdust biochar: Thermodynamics and site energy distribution

《环境科学与工程前沿（英文）》 2022年 第16卷 第11期 doi: 10.1007/s11783-022-1579-7

摘要：

● Adsorption of environmental deoxyribonucleic acid on biochar was studied.

关键词： Environmental deoxyribonucleic acid     Antibiotic resistance genes     Biochar     Adsorption thermodynamics    

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Self-catalytic pyrolysis thermodynamics of waste printed circuit boards with co-existing metals

《环境科学与工程前沿（英文）》 2022年 第16卷 第11期 doi: 10.1007/s11783-022-1581-0

摘要：

● The co-existing metals in WPCBs has positive catalytic influence in pyrolysis.

关键词： Waste printed circuit board     Catalyst     Pyrolysis     Kinetics    

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Latest progress in numerical simulations on multiphase flow and thermodynamics in production of natural

Lin ZUO, Lixia SUN, Changfu YOU

《能源前沿（英文）》 2009年 第3卷 第2期   页码 152-159 doi: 10.1007/s11708-009-0017-x

摘要： Natural gas hydrates are promising potential alternative energy resources. Some studies on the multiphase flow and thermodynamics have been conducted to investigate the feasibility of gas production from hydrate dissociation. The methods for natural gas production are analyzed and several models describing the dissociation process are listed and compared. Two prevailing models, one for depressurization and the other for thermal stimulation, are discussed in detail. A comprehensive numerical method considering the multiphase flow and thermodynamics of gas production from various hydrate-bearing reservoirs is required to better understand the dissociation process of natural gas hydrate, which would be of great benefit to its future exploration and exploitation.

关键词： numerical simulation     natural gas hydrate     dissociation     thermodynamics     multiphase flow    

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Removal of Rhodamine B from aqueous solutions and wastewater by walnut shells: kinetics, equilibrium and thermodynamics

Jasmin Shah, M. Rasul Jan, Attaul Haq, Younas Khan

《化学科学与工程前沿（英文）》 2013年 第7卷 第4期   页码 428-436 doi: 10.1007/s11705-013-1358-x

摘要： An adsorption study of Rhodamine B (RB) dye from aqueous solutions was carried out using walnut shells pretreated by different methods. In addition to the effects of the pretreatment, the effects of various parameters like pH, adsorbent dose, contact time, initial dye concentration and temperature on the adsorption of RB was studied. The adsorption process was highly pH dependent and a maximum adsorption was achieved at pH 3.0. The best fit for the rates of dye adsorption was a pseudo-second-order kinetic model with good correlation coefficients ( >0.99). Langmuir isotherms were used to determine that the maximum loading capacity of the different walnut shells and the RB capacities ranged from 1.451–2.292 mg·g . The dye adsorption was also evaluated thermodynamically. Positive standard enthalpy (? °) values were obtained indicating that the RB adsorption process is endothermic as well as ? ° and ? ° values showed that adsorption process is spontaneous with an increased randomness at the solid-liquid interface. Desorption studies were carried out to explore the feasibility of regenerating the used walnut shells and it was found that 97.71%–99.17% of the retained RB was recovered with 0.1 mol?L NaOH solution. The walnut shells were also successfully used to remove RB from industrial effluents.

关键词： Rhodamine B     walnut shell adsorption     kinetics     isotherms     regeneration    

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Facile synthesis of α-MnO

Weixin ZHANG, Wenran ZHAO, Zaoyuan ZHOU, Zeheng YANG

《化学科学与工程前沿（英文）》 2014年 第8卷 第1期   页码 64-72 doi: 10.1007/s11705-014-1402-5

摘要： In this paper, α-MnO micronests composed of nanowires were fabricated via a hydrothermal reaction of MnSO ·H O and K S O solutions. The α-MnO micronests were demonstrated to have a higher adsorption capacity than γ-MnO microspheres due to their large specific surface area. The amount of Congo red adsorbed per unit weight of α-MnO micronests increased significantly from 114 to 282 mg·g with concentration of Congo red solution increasing from 50 to 200 mg·L , but it had a little change with temperature. Kinetics, isotherms and thermodynamics for the adsorption of Congo red on α-MnO micronests were examined. The adsorption process followed the pseudo-second-order kinetics with good correlation. The experimental data were analyzed by Langmuir and Freundlich models, and equilibrium data fitted the Langmuir isotherm very well with maximum monolayer adsorption capacity of 625 mg·g at 22 °C. The adsorption was spontaneous and endothermic according to thermodynamic studies. The experimental results indicate that α-MnO micronests possess a high adsorption capacity and could be employed as a replacement of traditional sorbents.

关键词： MnO2     Congo red     adsorption     kinetics     isotherm     thermodynamics    

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Optimization of the power, efficiency and ecological function for an air-standard irreversible Dual-Miller cycle

Zhixiang WU, Lingen CHEN, Yanlin GE, Fengrui SUN

《能源前沿（英文）》 2019年 第13卷 第3期   页码 579-589 doi: 10.1007/s11708-018-0557-z

摘要： This paper establishes an irreversible Dual-Miller cycle (DMC) model with the heat transfer (HT) loss, friction loss (FL) and other internal irreversible losses. To analyze the effects of the cut-off ratio ( ) and Miller cycle ratio ( ) on the power output ( ), thermal efficiency ( ) and ecological function ( ), obtain the optimal and optimal , and compare the performance characteristics of DMC with its simplified cycles and with different optimization objective functions, the , and of irreversible DMC are analyzed and optimized by applying the finite time thermodynamic (FTT) theory. Expressions of , and are derived. The relationships among , , and compression ratio ( ) are obtained by numerical examples. The effects of and on , , , maximum power output ( ), maximum efficiency ( ) and maximum ecological function ( ) are analyzed. Performance differences among the DMC, the Otto cycle (OC), the Dual cycle (DDC), and the Otto-Miller cycle (OMC) are compared for fixed design parameters. Performance characteristics of irreversible DMC with the choice of , and as optimization objective functions are analyzed and compared. The results show that the irreversible DMC engine can reach a twice-maximum power, a twice-maximum efficiency, and a twice-maximum ecological function, respectively. Moreover, when choosing as the optimization objective, there is a 5.2% of improvement in while there is a drop of only 2.7% in compared to choosing as the optimization objective. However, there is a 5.6% of improvement in while there is a drop of only 1.3% in compared to choosing as the optimization objective.

关键词： finite-time thermodynamics     Dual-Miller cycle     power output     thermal efficiency     ecological function    

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Room temperature liquid metal: its melting point, dominating mechanism and applications

Junheng FU, Chenglin ZHANG, Tianying LIU, Jing LIU

《能源前沿（英文）》 2020年 第14卷 第1期   页码 81-104 doi: 10.1007/s11708-019-0653-8

摘要： The room temperature liquid metal (LM) is recently emerging as a new class of versatile materials with fascinating characteristics mostly originated from its simultaneous metallic and liquid natures. The melting point is a typical parameter to describe the peculiarity of LM, and a pivotal factor to consider concerning its practical applications such as phase change materials (PCMs) and advanced thermal management. Therefore, the theoretical exploration into the melting point of LM is an essential issue, which can be of special value for the design of new LM materials with desired properties. So far, some available strategies such as molecular dynamics (MD) simulation and classical thermodynamic theory have been applied to perform correlative analysis. This paper is primarily dedicated to performing a comprehensive overview regarding typical theoretical strategies on analyzing the melting points. It, then, presents evaluations on several factors like components, pressure, size and supercooling that may be critical for melting processes of liquid metal. After that, it discusses applications associated with the characteristic of low melting points of LM. It is expected that a great many fundamental and practical works are to be conducted in the coming future.

关键词： melting point     liquid metal     crystal     thermodynamics     molecular dynamics    

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Liquid metal material genome: Initiation of a new research track towards discovery of advanced energy materials

Lei WANG, Jing LIU

《能源前沿（英文）》 2013年 第7卷 第3期   页码 317-332 doi: 10.1007/s11708-013-0271-9

摘要： As the basis of modern industry, the roles materials play are becoming increasingly vital in this day and age. With many superior physical properties over conventional fluids, the low melting point liquid metal material, especially room-temperature liquid metal, is recently found to be uniquely useful in a wide variety of emerging areas from energy, electronics to medical sciences. However, with the coming enormous utilization of such materials, serious issues also arise which urgently need to be addressed. A biggest concern to impede the large scale application of room-temperature liquid metal technologies is that there is currently a strong shortage of the materials and species available to meet the tough requirements such as cost, melting point, electrical and thermal conductivity, etc. Inspired by the Material Genome Initiative as issued in 2011 by the United States of America, a more specific and focused project initiative was proposed in this paper—the liquid metal material genome aimed to discover advanced new functional alloys with low melting point so as to fulfill various increasing needs. The basic schemes and road map for this new research program, which is expected to have a worldwide significance, were outlined. The theoretical strategies and experimental methods in the research and development of liquid metal material genome were introduced. Particularly, the calculation of phase diagram (CALPHAD) approach as a highly effective way for material design was discussed. Further, the first-principles (FP) calculation was suggested to combine with the statistical thermodynamics to calculate the thermodynamic functions so as to enrich the CALPHAD database of liquid metals. When the experimental data are too scarce to perform a regular treatment, the combination of FP calculation, cluster variation method (CVM) or molecular dynamics (MD), and CALPHAD, referred to as the mixed FP-CVM-CALPHAD method can be a promising way to solve the problem. Except for the theoretical strategies, several parallel processing experimental methods were also analyzed, which can help improve the efficiency of finding new liquid metal materials and reducing the cost. The liquid metal material genome proposal as initiated in this paper will accelerate the process of finding and utilization of new functional materials.

关键词： liquid metal material genome     energy material     material discovery     advanced material     room-temperature liquid alloy     thermodynamics     phase diagram    

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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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Biosorption of Cr(VI) by carbonized

Jinfa CHEN,Ping YANG,Dagang SONG,Sha YANG,Li ZHOU,Lei HAN,Bo LAI

《环境科学与工程前沿（英文）》 2014年 第8卷 第6期   页码 960-966 doi: 10.1007/s11783-013-0612-2

摘要： High quality and low cost carbon can be prepared from ( ) and Buckwheat straw. The biosorbent was used for Cr(VI) removal. The effect of experimental parameters, such as pH, sorbent dosage and temperature were examined and the optimal experimental condition was determined. Solution pH is found influencing the adsorption. Cr(VI) removal efficiency is found to be maximum (98%) at pH= 1. Langmuir and Freundlich adsorption isotherms were applicable to the adsorption process and their constants were evaluated. The adsorption data obtained agreed well with the Langmuir sorption isotherm model. The maximum adsorption capacities for Cr(VI) ranged from 46.23 to 55.19 mg·g for temperature between 298 K and 308 K under the condition of pH= 1.0. Thermodynamic parameters such as free energy change ( ), enthalpy ( ) and entropy ( ) indicate a spontaneous, endothermic and increased randomness nature of Cr(VI) adsorption. Studies found that the raw and buckwheat straw mixed materials with simple treatment had a high efficiency for the removal of Cr(VI) and would be a promising adsorbent.

关键词： Eupatorium adenophorum     buckwheat straw     adsorption     Cr(VI)     thermodynamics    

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Entropy flow, entropy generation, exergy flux, and optimal absorbing temperature in radiative transfer between parallel plates

Zeshao CHEN, Songping MO, Peng HU, Shouli JIANG, Gang WANG, Xiaofang CHENG,

《能源前沿（英文）》 2010年 第4卷 第3期   页码 301-305 doi: 10.1007/s11708-010-0006-0

摘要： Taking nonequilibrium radiative heat transfer between two surfaces as an example, the nonequilibrium thermodynamics of radiation is studied and discussed. The formulas of entropy flow, entropy generation, exergy flux, and optimal temperature of absorbing surface for maximum exergy output are derived. The result is a contribution to the thermodynamic analysis and optimization of solar energy utilization and can be applied in more complex radiative heat transfer cases.

关键词： radiative heat transfer     entropy generation     exergy     thermodynamics    

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Biosorption of Cr(III) from aqueous solution by freeze-dried activated sludge: Equilibrium, kinetic and thermodynamic studies

Qian YAO, Hua ZHANG, Jun WU, Liming SHAO, Pinjing HE,

《环境科学与工程前沿（英文）》 2010年 第4卷 第3期   页码 286-294 doi: 10.1007/s11783-010-0025-4

摘要： Batch biosorption experiments were conducted to remove Cr(III) from aqueous solutions using activated sludge from a sewage treatment plant. An investigation was conducted on the effects of the initial pH, contact time, temperature, and initial Cr(III) concentration in the biosorption process. The results revealed that the activated sludge exhibited the highest Cr(III) uptake capacity (120 mg·g) at 45°C, initial pH of 4, and initial Cr(III) concentration of 100 mg·L. The biosorption results obtained at various temperatures showed that the biosorption pattern accurately followed the Langmuir model. The calculated thermodynamic parameters, Δ (−0.8– −4.58 kJ·mol), Δ (15.6–44.4 kJ·mol), and Δ (0.06–0.15 kJ·mol·K) clearly indicated that the biosorption process was feasible, spontaneous, endothermic, and physical. The pseudo first-order and second-order kinetic models were adopted to describe the experimental data, which revealed that the Cr(III) biosorption process conformed to the second-order rate expression and the biosorption rate constants decreased with increasing Cr(III) concentration. The analysis of the values of biosorption activation energy ( = −7 kJ·mol) and the intra-particle diffusion model demonstrated that Cr(III) biosorption was film-diffusion-controlled.

关键词： activated sludge     biosorption     chromium     film diffusion     kinetics     thermodynamics    

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Comprehensive performance analysis and optimization of 1,3-dimethylimidazolylium dimethylphosphate-water binary mixture for a single effect absorption refrigeration system

Gorakshnath TAKALKAR, Ahmad K. SLEITI

《能源前沿（英文）》 2022年 第16卷 第3期   页码 521-535 doi: 10.1007/s11708-021-0720-9

摘要： The energy and exergy analyses of the absorption refrigeration system (ARS) using H O-[mmim][DMP] mixture were investigated for a wide range of temperature. The equilibrium Dühring ( - - ) and enthalpy ( - - ) of mixture were assessed using the excess Gibbs free non-random two liquid (NRTL) model for a temperature range of 20°C to 140°C and from 0.1 to 0.9. The performance validation of the ARS cycle showed a better coefficient of performance (COP) of 0.834 for H O-[mmim][DMP] in comparison to NH -H O, H O-LiBr, H O-[emim][DMP], and H O-[emim][BF4]. Further, ARS performances with various operating temperatures of the absorber ( ), condenser ( ), generator ( ), and evaporator ( ) were simulated and optimized for a maximum COP and exergetic COP (ECOP). The effects of from 50°C to 150°C and and from 30°C to 50°C on COP and ECOP, the , , and circulation ratio (CR) of the ARS were evaluated and optimized for from 5°C to 15°C. The optimization revealed that needed to achieve a maximum COP which was more than that for a maximum ECOP. Therefore, this investigation provides criteria to select low grade heat source temperature. Most of the series flow of the cases of cooling water from the condenser to the absorber was found to be better than the absorber to the condenser.

关键词： ionic liquid driven absorption cycle     H2O-[mmim][DMP]     coefficient of performance (COP)     exergy analysis     thermodynamics mixture property    

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激光增材制造的热力学和动力学多尺度理解

顾冬冬, 马成龙, 夏木建, 戴冬华, 石齐民

《工程（英文）》 2017年 第3卷 第5期   页码 675-684 doi: 10.1016/J.ENG.2017.05.011

摘要：

选择性激光熔化（SLM）增材制造（AM）技术已成为精密制造高性能复杂形状金属零件的重要选择。SLM AM 工艺涉及复杂的物理化学现象、热力学特性以及高能激光束融化散粉颗粒时产生的相变。本文提出了针对金属材料SLM 工艺的多尺度建模和协调控制，其中，金属材料包括铝（Al）基合金（AlSi10Mg）、镍（Ni）基超合金（Inconel 718）及陶瓷颗粒增强的铝基和镍基复合材料。从微观尺度研究氮化铝（AlN）颗粒在SLM 处理后的铝基纳米复合材料中的迁移和分布机制以及SLM处理后的碳化钨（WC）/Inconel 718 复合材料中增强体和基体之间梯度界面的原位形成。从中尺度研究AlSi10Mg 和Inconel 718 合金粉末的激光吸收和熔化/ 致密化特性。最后，从宏观尺度提出了逐行局部激光扫描过程中的应力发展和SLM 处理后的复合材料变形的参数依赖控制方法。多尺度数值模拟和实验验证方法有利于监测SLM AM 过程中复杂的粉末激光作用、传热传质特性以及微观结构和力学性能的发展。

关键词： 增材制造     选择性激光熔化     多尺度建模     热力学     动力学    

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标题 作者 时间 类型 操作

Kinetics and thermodynamics of the phosphine adsorption on the modified activated carbon

Bingnan REN

期刊论文

Adsorption of herring sperm DNA onto pine sawdust biochar: Thermodynamics and site energy distribution

期刊论文

Self-catalytic pyrolysis thermodynamics of waste printed circuit boards with co-existing metals

期刊论文

Latest progress in numerical simulations on multiphase flow and thermodynamics in production of natural

Lin ZUO, Lixia SUN, Changfu YOU

期刊论文

Removal of Rhodamine B from aqueous solutions and wastewater by walnut shells: kinetics, equilibrium and thermodynamics

Jasmin Shah, M. Rasul Jan, Attaul Haq, Younas Khan

期刊论文

Facile synthesis of α-MnO

Weixin ZHANG, Wenran ZHAO, Zaoyuan ZHOU, Zeheng YANG

期刊论文

Optimization of the power, efficiency and ecological function for an air-standard irreversible Dual-Miller cycle

Zhixiang WU, Lingen CHEN, Yanlin GE, Fengrui SUN

期刊论文

Room temperature liquid metal: its melting point, dominating mechanism and applications

Junheng FU, Chenglin ZHANG, Tianying LIU, Jing LIU

期刊论文

Liquid metal material genome: Initiation of a new research track towards discovery of advanced energy materials

Lei WANG, Jing LIU

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

Biosorption of Cr(VI) by carbonized

Jinfa CHEN,Ping YANG,Dagang SONG,Sha YANG,Li ZHOU,Lei HAN,Bo LAI

期刊论文

Entropy flow, entropy generation, exergy flux, and optimal absorbing temperature in radiative transfer between parallel plates

Zeshao CHEN, Songping MO, Peng HU, Shouli JIANG, Gang WANG, Xiaofang CHENG,

期刊论文

Biosorption of Cr(III) from aqueous solution by freeze-dried activated sludge: Equilibrium, kinetic and thermodynamic studies

Qian YAO, Hua ZHANG, Jun WU, Liming SHAO, Pinjing HE,

期刊论文

Comprehensive performance analysis and optimization of 1,3-dimethylimidazolylium dimethylphosphate-water binary mixture for a single effect absorption refrigeration system

Gorakshnath TAKALKAR, Ahmad K. SLEITI

期刊论文

激光增材制造的热力学和动力学多尺度理解

顾冬冬, 马成龙, 夏木建, 戴冬华, 石齐民

期刊论文