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Study on direct alcohol/ether fuel synthesis process in bubble column slurry reactor

Zhen CHEN, Haitao ZHANG, Weiyong YING, Dingye FANG

《化学科学与工程前沿（英文）》 2010年 第4卷 第4期   页码 461-471 doi: 10.1007/s11705-010-0517-6

摘要： The recent studies of direct alcohol/ether synthesis process in slurry reactors were reviewed, and the research work in our laboratory was carried out in this paper. a global kinetics model for direct dimethyl ether (DME) synthesis from syngas over a novel Cu-Zn-Al-Zr slurry catalyst was established according to the total of 25 experimental data, and a steady-state one-dimensional mathematical model was further developed in bubble column slurry reactor (BCSR), which was assumed that the bubble phase was plug flow, and the liquid phase was fully mixed flow. The numerical simulations of reactor design of 100000 t/a dimethyl ether pilot plant indicate that higher pressure and lower temperature were favorable to the increase of CO conversion, selectivity of dimethyl ether, product yield and height of slurry bed. The optimal operating conditions for DME synthesis process were obtained: reaction temperature at 240°C, reactor pressure at 5 MPa and reactor diameter of 2.5 m.

关键词： syngas     alcohol/ether fuel     slurry catalyst     bubble column slurry reactor     global kinetics     mathematical model    

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A review on co-pyrolysis of agriculture biomass and disposable medical face mask waste for green fuel

《化学科学与工程前沿（英文）》 2023年 第17卷 第9期   页码 1141-1161 doi: 10.1007/s11705-022-2230-7

摘要： The Association of Southeast Asian Nations is blessed with agricultural resources, and with the growing population, it will continue to prosper, which follows the abundance of agricultural biomass. Lignocellulosic biomass attracted researchers’ interest in extracting bio-oil from these wastes. However, the resulting bio-oil has low heating values and undesirable physical properties. Hence, co-pyrolysis with plastic or polymer wastes is adopted to improve the yield and quality of the bio-oil. Furthermore, with the spread of the novel coronavirus, the surge of single-use plastic waste such as disposable medical face mask, can potentially set back the previous plastic waste reduction measures. Therefore, studies of existing technologies and techniques are referred in exploring the potential of disposable medical face mask waste as a candidate for co-pyrolysis with biomass. Process parameters, utilisation of catalysts and technologies are key factors in improving and optimising the process to achieve commercial standard of liquid fuel. Catalytic co-pyrolysis involves a series of complex mechanisms, which cannot be explained using simple iso-conversional models. Hence, advanced conversional models are introduced, followed by the evolutionary models and predictive models, which can solve the non-linear catalytic co-pyrolysis reaction kinetics. The outlook and challenges for the topic are discussed in detail.

关键词： biomass     COVID-19 waste     catalyst     pyrolysis     kinetics    

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Applicability of high dimensional model representation correlations for ignition delay times of n-heptane/air mixtures

Wang LIU, Jiabo ZHANG, Zhen HUANG, Dong HAN

《能源前沿（英文）》 2019年 第13卷 第2期   页码 367-376 doi: 10.1007/s11708-018-0584-9

摘要： It is difficult to predict the ignition delay times for fuels with the two-stage ignition tendency because of the existence of the nonlinear negative temperature coefficient (NTC) phenomenon at low temperature regimes. In this paper, the random sampling-high dimensional model representation (RS-HDMR) methods were employed to predict the ignition delay times of n-heptane/air mixtures, which exhibits the NTC phenomenon, over a range of initial conditions. A detailed n-heptane chemical mechanism was used to calculate the fuel ignition delay times in the adiabatic constant-pressure system, and two HDMR correlations, the global correlation and the stepwise correlations, were then constructed. Besides, the ignition delay times predicted by both types of correlations were validated against those calculated using the detailed chemical mechanism. The results showed that both correlations had a satisfactory prediction accuracy in general for the ignition delay times of the n-heptane/air mixtures and the stepwise correlations exhibited a better performance than the global correlation in each subdomain. Therefore, it is concluded that HDMR correlations are capable of predicting the ignition delay times for fuels with two-stage ignition behaviors at low-to-intermediate temperature conditions.

关键词： ignition delay     random sampling     high dimensional model representation     n-heptane     fuel kinetics    

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Theoretical insights into influence of additives on sulfamethoxazole crystal growth kinetics and mechanisms

《化学科学与工程前沿（英文）》 2023年 第17卷 第10期   页码 1503-1515 doi: 10.1007/s11705-022-2294-4

摘要： In this work, the influence of the initial chemical potential gradient, stirring speed, and polymer type on sulfamethoxazole (SMX) crystal growth kinetics was systematically investigated through density functional theory (DFT) calculations, experimental measurements and the two-step chemical potential gradient model. To investigate the influence of different conditions on the thermodynamic driving force of SMX crystal growth, SMX solubilities in different polymer solutions were studied. Four model polymers effectively improved SMX solubility. It was further found that polyvinylpyrrolidone (PVP) and hydroxypropyl methyl cellulose (HPMC) played a crucial role in inhibiting SMX crystal growth. However, polyethylene glycol (PEG) promoted SMX crystal growth. The effect of the polymer on the crystal growth mechanisms of SMX was further analyzed by the two-step chemical potential gradient model. In the system containing PEG 6000, crystal growth is dominated by the surface reaction. However, in the system containing PEG 20000, crystal growth is dominated by both the surface reaction and diffusion. In addition, DFT calculations results showed that HPMC and PVP could form strong and stable binding energies with SMX, indicating that PVP and HPMC had the potential ability to inhibit SMX crystal growth.

关键词： insoluble drugs     polymer     inhibition crystallization     crystal growth kinetics     DFT calculations    

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Combustion characteristics and kinetics of bio-oil

Ruixia ZHANG, Zhaoping ZHONG, Yaji HUANG

《化学科学与工程前沿（英文）》 2009年 第3卷 第2期   页码 119-124 doi: 10.1007/s11705-009-0068-x

摘要： The combustion characteristics of bio-oils derived from rice husk and corn were studied by thermogravimetry analysis. According to the thermogravimetry (TG), differential thermogravimetry (DTG) and differential thermal analysis (DTA) curves of bio-oils in air and nitrogen atmosphere, we analyzed the combustion characteristics of different kinds of bio-oils in different atmospheres and worked out the combustion kinetics parameters of the bio-oil, providing reliable base data for the burning of bio-oil. The thermogravimetry indicated that the combustion process of bio-oil was divided into three stages. At the same time, the combustion process can be described by different order reaction models, and with the method of Coats-Redfern, the activation energy and frequency factor of different kinds of bio-oils were obtained.

关键词： bio-oil     combustion characteristics     combustion kinetics    

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Thermal degradation kinetics and lifetime estimation for polycarbonate/polymethylphenylsilsesquioxane

Jiangbo WANG, Zhong XIN

《化学科学与工程前沿（英文）》 2009年 第3卷 第2期   页码 167-171 doi: 10.1007/s11705-009-0006-y

摘要： The thermal degradation behaviors of polycarbonate/polymethylphenylsilsesquioxane (FRPC) composites were investigated by thermogravimetric analysis (TGA) under isothermal conditions in nitrogen atmosphere. The isothermal kinetics equation was used to describe the thermal degradation process. The results showed that activation energy ( ), in the case of isothermal degradation, was a quick increasing function of conversion (α) for polycarbonate (PC) but was a strong and decreasing function of conversion for FRPC. Under the isothermal condition, the addition of polymethylphenylsilsesquioxane (PMPSQ) retardanted the thermal degradation and enhanced the thermal stability of PC during the early and middle stages of thermal degradation. It also indicated a possible existence of a difference in nucleation, nuclei growth, and gas diffusion mechanism in the thermal degradation process between PC and FRPC. Meanwhile, the addition of PMPSQ influenced the lifetime of PC, but the composite still met the demand in manufacturing and application.

关键词： polycarbonate     polymethylphenylsilsesquioxane     thermal degradation kinetics     activation energy     lifetime    

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Modeling the aqueous reaction kinetics of estriol with ferrate

Cong LI, Naiyun GAO

《化学科学与工程前沿（英文）》 2009年 第3卷 第1期   页码 39-45 doi: 10.1007/s11705-009-0098-4

摘要： In this study the aqueous oxidation kinetics of estriol (E3) by potassium ferrate (K FeO ), a chemical for its strong oxidizing power and for producing a coagulant from its reduced state (i.e. Fe(III)), was evaluated in the range of pH 8-12 with different molar ratios of the reactants. As the degree of Fe(VI) protonation varies with the solution pH, it was found that a first order model was not suitable to describe the oxidation reaction. This paper describes a theoretical representation that closely models the reaction kinetics of E3 and ferrate. From this modeling, the reaction rates of HFe and Fe with E3 have been determined. The results show that the reactivity of HFe with dissociated and undissociated E3 is greater than that of Fe , and that E3 is more reactive in its dissociated state.

关键词： ferrate     estriol     endocrine disruptor     kinetics     oxidation    

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Influence of extracellular polymeric substances from activated sludge on the aggregation kinetics of

《环境科学与工程前沿（英文）》 2022年 第16卷 第2期 doi: 10.1007/s11783-021-1450-2

摘要：

• The NPs aggregation in the electrolyte solution is consistent with the DLVO theory.

关键词： Silver nanoparticles     Silver sulfide nanoparticles     Extracellular polymeric substances     Aggregation kinetics     Influence mechanisms    

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Preparation and crystallization kinetics of micron-sized Mg(OH)

Xingfu SONG, Kefeng TONG, Shuying SUN, Ze SUN, Jianguo YU

《化学科学与工程前沿（英文）》 2013年 第7卷 第2期   页码 130-138 doi: 10.1007/s11705-013-1332-7

摘要： Magnesium hydroxide is an important chemical, and is usually obtained from seawater or brine via precipitation process. The particle size distribution of magnesium hydroxide has great effects on the subsequent filtration and drying processes. In this paper, micron-sized magnesium hydroxide with high purity, large particle size and low water content in filter cake was synthesized via simple wet precipitation in a mixed suspension mixed product removal (MSMPR) crystallizer. The effects of reactant concentration, residence time and impurities on the properties of magnesium hydroxide were investigated by X-Ray diffraction (XRD), Scanning Electron Microscopy (SEM) and Malvern laser particle size analyzer. The results show that NaOH concentration and residence time have great effects on the water content and particle size of Mg(OH) . The spherical Mg(OH) with uniform diameter of about 30 μm was obtained with purity higher than 99% and water content less than 31%. Furthermore, the crystallization kinetics based on the population balance theory was studied to provide the theoretical data for industrial enlargement, and the simulation coefficients ( ) based on ASL model and C-R model are 0.9962 and 0.9972, respectively, indicating that the crystal growth rate of magnesium hydroxide can be well simulated by the size-dependent growth models.

关键词： magnesium hydroxide     precipitation     micron-sized     crystallization kinetics    

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Intrinsic kinetics and external diffusion of catalytic steam gasification of fine coal char particles

Xuantao Wu, Jie Wang

《化学科学与工程前沿（英文）》 2019年 第13卷 第2期   页码 415-426 doi: 10.1007/s11705-018-1725-8

摘要： Catalytic steam gasification of fine coal char particles was carried out using a self-made laboratory reactor to determine the intrinsic kinetics and external diffusion under varying pressures (0.1–0.5 MPa) and superficial gas flow velocities (GFVs) of 13.8–68.8 cm?s . In order to estimate the gas release rate at a low GFV, the transported effect of effluent gas on the temporal gasification rate pattern was simulated by the Fluent computation and verified experimentally. The external mass transfer coefficients ( ) and the effectiveness factors were determined at lower GFVs, based on the intrinsic gasification rate obtained at a high GFV of 55.0 cm?s . The was found to be almost invariable in a wider carbon conversion of 0.2–0.7. The variations of at a median carbon conversion with GFV, temperature and pressure were found to follow a modified Chilton-Colburn correlation: (0.04< <0.19), where is total pressure and is atmospheric pressure. An intrinsic kinetics/external diffusion integrating model could well describe the gasification rate as a function of GFV, temperature and pressure over a whole gasification process.

关键词： coal char     catalytic steam gasification     pressure     kinetics     diffusion    

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Determination of growth kinetics of microorganisms linked with 1,4-dioxane degradation in a consortium

《环境科学与工程前沿（英文）》 2022年 第16卷 第5期 doi: 10.1007/s11783-022-1567-y

摘要：

● Evaluated three methods for determining the consortia’s growth kinetics.

关键词： Biodegradation     1     4-Dioxane     Kinetics     Microbial consortium     16S rRNA    

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Performance and kinetics of iron-based oxygen carriers reduced by carbon monoxide for chemical looping

Xiuning HUA,Wei WANG,Feng WANG

《环境科学与工程前沿（英文）》 2015年 第9卷 第6期   页码 1130-1138 doi: 10.1007/s11783-015-0821-y

摘要： Chemical looping combustion is a promising technology for energy conversion due to its low-carbon, high-efficiency, and environmental-friendly feature. A vital issue for CLC process is the development of oxygen carrier, since it must have sufficient reactivity. The mechanism and kinetics of CO reduction on iron-based oxygen carriers namely pure Fe O and Fe O supported by alumina (Fe O /Al O ) were investigated using thermo-gravimetric analysis. Fe O /Al O showed better reactivity over bare Fe O toward CO reduction. This was well supported by the observed higher rate constant for Fe O /Al O over pure Fe O with respective activation energy of 41.1±2.0 and 33.3±0.8 kJ·mol . The proposed models were compared via statistical approach comprising Akaike information criterion with correction coupled with F-test. The phase-boundary reaction and diffusion control models approximated to 95% confidence level along with scanning electron microscopy results; revealed the promising reduction reactions of pure Fe O and Fe O /Al O . The boosting recital of iron-based oxygen carrier support toward efficient chemical looping combustion could be explained accurately through the present study.

关键词： chemical looping combustion     iron-based oxygen carriers     reduction kinetics     carbon monoxide     statistics    

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Combustion and emissions of RP-3 jet fuel and diesel fuel in a single-cylinder diesel engine

《能源前沿（英文）》 2023年 第17卷 第5期   页码 664-677 doi: 10.1007/s11708-021-0787-3

摘要： The combustion characteristics and emission behaviors of RP-3 jet fuel were studied and compared to commercial diesel fuel in a single-cylinder compression ignition (CI) engine. Engine operational parameters, including engine load (0.6, 0.7, and 0.8 MPa indicating the mean effective pressure (IMEP)), the exhaust gas recirculation (EGR) rate (0%, 10%, 20%, and 30%), and the fuel injection timing (−20, −15, −10, and −5 ° crank angle (CA) after top dead center (ATDC)) were adjusted to evaluate the engine performances of RP-3 jet fuel under changed operation conditions. In comparison to diesel fuel, RP-3 jet fuel shows a retarded heat release and lagged combustion phase, which is more obvious under heavy EGR rate conditions. In addition, the higher premixed combustion fraction of RP-3 jet fuel leads to a higher first-stage heat release peak than diesel fuel under all testing conditions. As a result, RP-3 jet fuel features a longer ignition delay (ID) time, a shorter combustion duration (CD), and an earlier CA50 than diesel fuel. The experimental results manifest that RP-3 jet fuel has a slightly lower indicated thermal efficiency (ITE) compared to diesel fuel, but the ITE difference becomes less noticeable under large EGR rate conditions. Compared with diesel fuel, the nitrogen oxides (NOx) emissions of RP-3 jet fuel are higher while its soot emissions are lower. The NOx emissions of RP-3 can be effectively reduced with the increased EGR rate and delayed injection timing.

关键词： RP-3 jet fuel     diesel     engine     combustion     emissions    

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

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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Ozone kinetics of dimethyl sulfide in the presence of water vapor

Haitao WANG

《环境科学与工程前沿（英文）》 2013年 第7卷 第6期   页码 833-835 doi: 10.1007/s11783-013-0570-8

摘要： The outdoor smog chamber was used to thorough investigate the rate constants of gas-phase reaction between dimethyl sulfide (DMS) and ozone (O ) under conditions of relative humidity 55.0%–67.8% at (296±2)K for the first time. The rate constants were measured, at a total pressure of 1 atm, to be (10.4±0.2) × 10 cm ·molecule ·s at relative humidity of 67.5%±0.3% at 298K, (10.1±0.1) × 10 cm ·molecule ·s at relative humidity of 66.5%±0.5% at 296K, (7.75±0.39) × 10 cm ·molecule ·s at relative humidity of 64.8%±0.1% at 294K and (3.42±0.21) × 10 cm ·molecule ·s at relative humidity of 55.8%±0.8% at 295K. Base on these results, it is possible to see the reaction of O /DMS in the presence of water vapor as an important sink for DMS in the earth atmosphere.

关键词： rate constants     ozone (O3)     dimethyl sulfide (DMS)     water vapor    

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标题 作者 时间 类型 操作

Study on direct alcohol/ether fuel synthesis process in bubble column slurry reactor

Zhen CHEN, Haitao ZHANG, Weiyong YING, Dingye FANG

期刊论文

A review on co-pyrolysis of agriculture biomass and disposable medical face mask waste for green fuel

期刊论文

Applicability of high dimensional model representation correlations for ignition delay times of n-heptane/air mixtures

Wang LIU, Jiabo ZHANG, Zhen HUANG, Dong HAN

期刊论文

Theoretical insights into influence of additives on sulfamethoxazole crystal growth kinetics and mechanisms

期刊论文

Combustion characteristics and kinetics of bio-oil

Ruixia ZHANG, Zhaoping ZHONG, Yaji HUANG

期刊论文

Thermal degradation kinetics and lifetime estimation for polycarbonate/polymethylphenylsilsesquioxane

Jiangbo WANG, Zhong XIN

期刊论文

Modeling the aqueous reaction kinetics of estriol with ferrate

Cong LI, Naiyun GAO

期刊论文

Influence of extracellular polymeric substances from activated sludge on the aggregation kinetics of

期刊论文

Preparation and crystallization kinetics of micron-sized Mg(OH)

Xingfu SONG, Kefeng TONG, Shuying SUN, Ze SUN, Jianguo YU

期刊论文

Intrinsic kinetics and external diffusion of catalytic steam gasification of fine coal char particles

Xuantao Wu, Jie Wang

期刊论文

Determination of growth kinetics of microorganisms linked with 1,4-dioxane degradation in a consortium

期刊论文

Performance and kinetics of iron-based oxygen carriers reduced by carbon monoxide for chemical looping

Xiuning HUA,Wei WANG,Feng WANG

期刊论文

Combustion and emissions of RP-3 jet fuel and diesel fuel in a single-cylinder diesel engine

期刊论文

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

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

期刊论文

Ozone kinetics of dimethyl sulfide in the presence of water vapor

Haitao WANG

期刊论文