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Functional Characterization of Protein From Rice-Based Ethanol By-Products for Food Industry Use: A Comparative Analysis of Alkaline and Enzyme Methods 食品工业用大米乙醇副产物蛋白质的功能表征:碱法和酶法的比较分析
IF 1.6 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-05-29 DOI: 10.1002/apj.70043
Mai-Dinh Vuong, Nguyen-Tien Thanh, Pham-Thi Ha Giang, Waché Yves, Chu-Ky Son

Rice distiller dried grain (RDDG), a by-product from rice-based ethanol plants, is currently used at a low application value. Alkaline and protease extraction methods were used to extract protein from RDDG. By using the alkaline method, the highest yield and recovery protein obtained was 46.7% and 90%, respectively, under pH 12 at 60°C. In the case of protease extraction, under the protease/RDDG ratio of 10%, the protein recovery and protein purity were 34.10% and 83.18%, respectively. The properties of extracted protein including polypeptide composition and digestibility were investigated. The major polypeptides observed include glutelin (37–39 kDa) and prolamin (13 kDa) for alkaline extraction. However, no distinct protein bands were detected in the case of protease extraction. The protein digestibility of protein extracted by protease and alkaline methods was 77.10% and 42.93%, respectively. For the alkaline method, no detectable thermal transition signal was observed while a major endothermic peak with a denaturation temperature of 94.06°C and an enthalpy value of 7.18 J/g was detectable for the enzyme method. These findings provide the food industry in Vietnam with an interesting and potential application from ethanol by-products.

稻谷干粮(RDDG)是稻谷乙醇厂的副产品,目前应用价值较低。采用碱性提取法和蛋白酶提取法提取RDDG中的蛋白质。在pH为12、温度为60°C的条件下,碱法制备蛋白质的收率和回收率分别为46.7%和90%。以蛋白酶提取为例,在蛋白酶/RDDG比为10%的条件下,蛋白回收率和蛋白纯度分别为34.10%和83.18%。研究了提取蛋白的多肽组成和消化率。碱性提取的主要多肽包括谷蛋白(37-39 kDa)和蛋白(13 kDa)。然而,在蛋白酶提取的情况下,没有检测到明显的蛋白质条带。蛋白酶法和碱法提取的蛋白质消化率分别为77.10%和42.93%。对于碱性法,没有检测到热转变信号,而酶法检测到一个主要的吸热峰,变性温度为94.06℃,焓值为7.18 J/g。这些发现为越南的食品工业提供了一个有趣的和潜在的乙醇副产品应用。
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引用次数: 0
Partial Gasification Kinetic and Thermodynamic Parameters of Lignite in Atmospheres With Varying O2 Percentages Using TG Analysis 用热重分析分析褐煤在不同氧含量气氛中部分气化动力学和热力学参数
IF 1.6 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-05-29 DOI: 10.1002/apj.70044
Bin Zhang, Zhihua Tian, Qinhui Wang, Ruiqing Jia

In this study, nonisothermal gasification experiments of lignite (SC) at different O2 concentrations were conducted using TG to analyze the effects of heating rate and O2 concentration on the kinetics and thermodynamics of SC. The FWO, KAS, CR, and integral master-plot methods were used to determine the kinetic and thermodynamic parameters. The results indicated that SC gasification proceeded in three distinct stages. At an O2 flow rate of 1.5 mL/min, the average activation energies for SC gasification calculated using the CR (n = 1), FWO, and KAS methods were 79.99, 177.95, and 173.84 kJ/mol, respectively. At an O2 flow rate of 3 mL/min, the corresponding values were 76.81, 128.28, and 126.81 kJ/mol. The gasification mechanism function of SC was determined as 𝑓(α) = (1−α)𝑛, with the (𝑛) being 2.7 and 2 at O2 flow rates of 1.5 and 3 mL/min, respectively. Thermodynamically, the gasification process was endothermic in both atmospheres, with positive values for Δ𝐻 and ΔG. The ΔS was negative at an O2 flow rate of 1.5 mL/min and positive at an O2 flow rate of 3 mL/min, likely due to the increased oxygen content intensifying the gasification reaction.

采用热重法(TG)对褐煤(SC)在不同O2浓度下的非等温气化进行了实验,分析了升温速率和O2浓度对SC的动力学和热力学的影响,并采用two、KAS、CR和积分主图法确定了动力学和热力学参数。结果表明,SC气化过程分为三个不同的阶段。在O2流量为1.5 mL/min时,CR (n = 1)法、FWO法和KAS法计算的SC气化平均活化能分别为79.99、177.95和173.84 kJ/mol。在O2流速为3 mL/min时,对应值分别为76.81、128.28和126.81 kJ/mol。确定SC的气化机理函数为𝑓(α) =(1−α)𝑛,在O2流量为1.5和3 mL/min时,(𝑛)分别为2.7和2。热力学上,气化过程在两种气氛下都是吸热的,Δ𝐻和ΔG都是正值。当O2流量为1.5 mL/min时,ΔS为负,当O2流量为3 mL/min时,ΔS为正,这可能是由于氧气含量的增加加剧了气化反应。
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引用次数: 0
Ultrasound-Assisted Reverse Micelle Simultaneous Extraction of Protein and Oil From Pigeon Pea Seeds: Optimization and Analyses of Physicochemical and Functional Properties 超声辅助反胶束同时提取鸽豌豆中蛋白质和油脂:理化性质和功能性质的优化与分析
IF 1.6 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-05-29 DOI: 10.1002/apj.70038
Xiao-Nian Wang, Bao-Yu Qu, Bin-Bin Li, Jing-Tao Liang, Xiao-Han Yuan, Yu-Jie Fu, Cheng-Bo Gu

This study established an optimized ultrasound-assisted reverse micelle extraction (UARME) method for the simultaneous extraction of protein and oil from pigeon pea seeds, using sodium bis(2-ethylhexyl) sulfosuccinate (AOT)/n-hexane reverse micelles. Key factors in extraction processes were optimized to maximize extraction efficiency. The physicochemical and functional properties of the extracted pigeon pea seed protein (PPSP) and pigeon pea seed oil (PPSO) were comprehensively analyzed. The UARME achieved a protein extraction efficiency of 86.06%, significantly higher than the 73.13% obtained by the conventional alkaline soluble acid precipitation (ASAE) method. UARME-extracted PPSP differed significantly from ASAE-extracted PPSP in molecular weight, microstructure, and secondary structure. Meanwhile, UARME enabled the concurrent extraction of PPSO rich in linoleic acid with an efficiency of 49.78%. The PPSP obtained by UARME exhibited better solubility, oil-holding capacity, emulsifying activity, and stability, as well as foaming capacity and stability compared to that from ASAE. This indicates its great potential as an excellent protein source. Overall, UARME is a promising technology for the simultaneous extraction of protein and oil from pigeon pea seeds, providing a theoretical basis for their utilization in the food industry.

本研究以双(2-乙基己基)琥珀酸磺基钠(AOT)/正己烷为反胶束,建立了超声辅助反胶束萃取法(UARME)同时提取鸽豌豆中蛋白质和油脂的优化方法。对萃取过程中的关键因素进行了优化,使萃取效率最大化。对提取的鸽豌豆籽蛋白(PPSP)和鸽豌豆籽油(PPSO)的理化性质和功能特性进行了综合分析。UARME蛋白提取率为86.06%,显著高于常规碱性可溶性酸沉淀法(ASAE)的73.13%。uarme提取的PPSP与asae提取的PPSP在分子量、微观结构和二级结构上存在显著差异。同时,UARME可同时提取富含亚油酸的PPSO,萃取效率为49.78%。与ASAE相比,UARME制得的PPSP具有更好的溶解度、持油能力、乳化活性、稳定性、起泡能力和稳定性。这表明了它作为一种极好的蛋白质来源的巨大潜力。综上所述,UARME技术是一种很有前途的同时提取鸽豆种子中蛋白质和油脂的技术,为其在食品工业中的应用提供了理论基础。
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引用次数: 0
Repurposing Plastic Waste Into Chemically Activated Carbon as Functional Adsorbents: Kinetic Analysis for Phenol Degradation and Methylene Blue Adsorption 塑料垃圾转化为化学活性炭作为功能吸附剂:苯酚降解和亚甲基蓝吸附动力学分析
IF 1.4 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-03-15 DOI: 10.1002/apj.70012
Sarat Chandra Arja, Gangabadage Kushantha Nadeera, Kolli Harsha Vardhan, A. Ajayraj, Vishal B. Upare, Amala Joy, Anjana P. Anantharaman

This study explores the conversion of plastic into NaOH and HNO3 activated carbon (NHAC and HNAC) and ceria-impregnated activated carbon prepared using microwave and hydrothermal methods (Ce-M + AC and Ce-H + AC) for environmental applications. The focus is on the catalytic oxidation of phenolic compounds and adsorption of methylene blue dye. FTIR analysis confirmed the presence of functional groups critical for adsorption. SEM and BET analyses revealed that HNAC had the lowest surface area (0.735 m2/g) and largest particle size (88.64 μm), and Ce-H + AC shows the highest surface area (442.71 m2/g) and smallest particle size (14.73 μm). In catalytic wet oxidation of phenol, Ce-H + AC achieved a degradation efficiency of 99.6% due to better surface properties and metal functionality; however, HNAC (97.65%) was less effective due to its limited surface properties. In the case of methylene blue adsorption, Ce-H + AC shows again the highest performance with 99.92% adsorption, and HNAC shows the lowest adsorption performance with 14.54% adsorption. Adsorption kinetics followed the pseudo–second-order model, with most samples showing high R2 values, except the HNAC sample. This research highlights the potential of repurposing plastic waste into effective adsorbents for environmental remediation.

本研究探讨了塑料转化为NaOH和HNO3活性炭(NH - AC和HN - AC)和用微波和水热法制备的铈浸渍活性炭(Ce-M + AC和Ce-H + AC)的环境应用。重点研究了酚类化合物的催化氧化和亚甲基蓝染料的吸附。红外光谱分析证实了对吸附至关重要的官能团的存在。SEM和BET分析表明,HN - h - AC的表面积最小(0.735 m2/g),粒径最大(88.64 μm), Ce-H + AC的表面积最大(442.71 m2/g),粒径最小(14.73 μm)。在催化湿式氧化苯酚中,Ce-H + AC具有较好的表面性能和金属官能团,降解效率达到99.6%;然而,HN - AC(97.65%)由于其有限的表面性质而效果较差。在亚甲基蓝吸附中,Ce-H + AC的吸附性能最高,为99.92%,HN - h + AC的吸附性能最低,为14.54%。吸附动力学服从伪二阶模型,除HN - AC样品外,大多数样品的R2值较高。这项研究强调了将塑料废物转化为有效的吸附剂用于环境修复的潜力。
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引用次数: 0
Optimal Linearization–Based Computationally Proficient Predictive Control of MIMO Nonlinear System Using Least Square Support Vector Machine 基于最优线性化的MIMO非线性系统的最小二乘支持向量机预测控制
IF 1.4 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-03-04 DOI: 10.1002/apj.70006
Divyesh Raninga, T. K. Radhakrishnan, Kirubakaran Velswamy

In this work, the concept of optimal linearization is explored to develop computationally proficient model predictive control (MPC) algorithms for multi-input multi-output (MIMO) nonlinear processes. The algorithms use Laguerre filters and pruned least square support vector machine (LSSVM)–based Wiener model for predictions. Taylor's series–based model linearization is predominantly used to improve the computational efficiency of nonlinear MPCs. This approach gives good control performance at many times. However, certain processes exhibit significant nonlinearity and experience large set point variations. In such cases, the closed-loop control accuracy obtained through above (Taylor's series based) approach is very poor and demands an alternative solution. In this paper, instead of Taylor series–based linearization, an optimization-based solution is derived to determine linearizing coefficients' matrix. Based on the optimally linearized model, a classical MPC and explicit MPC algorithms are proposed. The proposed algorithms are tested for the multivariable control of polymerization reactor. The optimal linearization–based proposed explicit algorithm is found to be 6.25 times computationally faster than the nonlinear MPC. When compared with Taylor series linearization–based MPC, the proposed algorithm provides 3 times (for monomer concentration) and 15 times (for reactor temperature) better control accuracy.

在这项工作中,探索了最优线性化的概念,以开发计算熟练的模型预测控制(MPC)算法,用于多输入多输出(MIMO)非线性过程。该算法使用拉盖尔滤波器和基于修剪最小二乘支持向量机(LSSVM)的维纳模型进行预测。基于泰勒级数的模型线性化主要用于提高非线性MPCs的计算效率。这种方法在很多情况下都具有良好的控制性能。然而,某些过程表现出显著的非线性并经历较大的设定点变化。在这种情况下,通过上述方法(基于泰勒级数)得到的闭环控制精度很差,需要一个替代的解决方案。本文提出了一种基于优化的求解方法来确定线性化系数矩阵,而不是基于泰勒级数的线性化。在最优线性化模型的基础上,提出了经典MPC算法和显式MPC算法。对所提出的算法进行了多变量控制实验。基于最优线性化的显式算法计算速度比非线性MPC快6.25倍。与基于泰勒级数线性化的MPC相比,该算法的控制精度提高了3倍(单体浓度)和15倍(反应器温度)。
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引用次数: 0
Novel Self-Solidifying Polymeric Ionic Liquid via Phenolic Condensation as Efficient and Reusable Catalyst for Biodiesel Production 新型酚醛缩合自固化聚合物离子液体作为高效可重复使用的生物柴油催化剂
IF 1.4 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-03-03 DOI: 10.1002/apj.70007
Xueqiang Shao, Changyu Fu, Yujing Zhang, Jinyi Chen, Jinbei Yang, Zhongliang Yao

A novel self-solidifying polymeric ionic liquid (P-[DMT-PS][PHSA]) was synthesized via phenolic condensation and applied as a recyclable acidic catalyst for biodiesel production. The catalyst demonstrated high acidity (4.68 mmol/g), excellent thermal stability, and effective catalytic performance, achieving 98.19% oleic acid conversion under optimized conditions. Notably, P-[DMT-PS][PHSA] is soluble during the esterification, allowing it to act as a homogeneous catalyst, and re-precipitates upon methanol evaporation for easy recovery. Even after 10 cycles, the catalyst maintained 97.0% oleic acid conversion, highlighting its stability and reusability. Additionally, P-[DMT-PS][PHSA] exhibits remarkable substrate adaptability, effectively catalyzing the esterification of a range of substrates. This study presents a simple and mild synthesis method for polymeric ionic liquids and showcases P-[DMT-PS][PHSA] as a promising alternative to conventional catalysts for biodiesel production.

采用酚醛缩合法制备了一种新型自固化聚合物离子液体P-[DMT-PS][PHSA],并将其作为可循环使用的酸性催化剂应用于生物柴油生产。该催化剂酸度高(4.68 mmol/g),热稳定性好,催化性能好,在优化条件下油酸转化率可达98.19%。值得注意的是,P-[DMT-PS][PHSA]在酯化过程中是可溶的,使其作为均相催化剂,并在甲醇蒸发时重新沉淀,易于回收。即使经过10次循环,该催化剂仍保持97.0%的油酸转化率,突出了其稳定性和可重复使用性。此外,P-[DMT-PS][PHSA]表现出显著的底物适应性,可有效催化一系列底物的酯化反应。本研究提出了一种简单、温和的聚合离子液体合成方法,并展示了P-[DMT-PS][PHSA]是一种很有前途的生物柴油催化剂替代品。
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引用次数: 0
Numerical Simulation on HCl Removal in Coal-Fired Flue Gas by Dechlorination Adsorbent Injection 脱氯吸附剂注入对燃煤烟气中HCl去除的数值模拟
IF 1.4 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-02-27 DOI: 10.1002/apj.70005
Yanjun Zuo, Haiyang Li, Xiaoshuo Liu, Yuqing Wang, Yufeng Duan

The injection of dechlorination adsorbents into the flue gas of coal-fired power plants is a reliable and effective method for mitigating the enrichment of Cl ions in wet flue gas desulfurization (WFGD) systems for the purpose of reducing desulfurization wastewater generation and discharge. However, the flue gas dechlorination efficiency varies depending on both the performance of the dechlorination adsorbent and the arrangement of the injection apparatus. This work focuses on the optimization of injection parameters for flue gas HCl removal of a 300-MW coal-fired power plant, utilizing a high-performance ethanol-hydrated CaO dechlorination adsorbent. A detailed evaluation of critical parameters, including injection velocity, injection height, and the Ca/Cl molar ratio, was conducted to elucidate their impacts on HCl removal efficiency. The results suggest that the Ca/Cl molar ratio is the most fundamental influencing factor. The injection velocity can alter the uniformity and spatial coverage of the dechlorination adsorbent. The injection height changes residence time, thus significantly affecting the dechlorination efficiency. The optimization strategy based on the CFD simulation provides a solid foundation and guidance for the industry application of the coal-fired flue gas HCl removal technology.

在燃煤电厂烟气中注入脱氯吸附剂是缓解湿法烟气脱硫系统中Cl离子富集、减少脱硫废水产生和排放的一种可靠、有效的方法。然而,烟气脱氯效率取决于脱氯吸附剂的性能和注射装置的布置。利用高性能乙醇水合CaO脱氯吸附剂,对300 mw燃煤电厂烟气中HCl的注入参数进行了优化。对注入速度、注入高度和Ca/Cl摩尔比等关键参数进行了详细评估,以阐明它们对HCl去除效率的影响。结果表明,Ca/Cl摩尔比是最根本的影响因素。注射速度可以改变脱氯吸附剂的均匀性和空间覆盖率。注射高度改变停留时间,显著影响脱氯效率。基于CFD模拟的优化策略为燃煤烟气HCl去除技术的工业应用提供了坚实的基础和指导。
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引用次数: 0
Leakage Characteristics of Hydrogen Gas Carrying Alkaline Solution 含氢碱性溶液的泄漏特性
IF 1.4 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-02-18 DOI: 10.1002/apj.70003
Wen Feng, Xiaojun Qiu, Xiangbin Li, Jiancheng Lin, Tie Ma, Xuefeng Lyu, Shucheng Zhang

Hydrogen energy, as a green and clean energy source of the 21st century, boasts numerous advantages including excellent combustion performance, no pollution, diverse storage methods, and significant development potential. However, the safety risks associated with hydrogen's combustibility and explosive nature cannot be overlooked. Hydrogen leaks during production and storage pose a serious threat when encountered with an ignition source. To gain a deeper understanding of hydrogen leakage patterns, hydrogen leakage accidents involving alkaline liquid entrainment in typical scenarios of hydrogen production are simulated using the CFD program and analyzed in conjunction with jet theory. The results indicate that the impact of alkaline liquid on hydrogen leakage is primarily in dilution and promotion of dispersion. The concentration of pure hydrogen leakage is generally higher than that of leakage involving alkaline liquid. Under the same break velocity, the range of the combustible zone for leakage involving alkaline liquid is consistent with pure hydrogen leakage in the vertical direction, yet significantly larger in the horizontal direction. Hydrogen leakage involving alkaline liquid also exhibits distinctly different flow patterns at various flow rates. At higher velocities, the overall characteristics are dominated by the momentum jet of hydrogen, presenting a positive buoyant jet flow pattern, whereas at lower velocities, the scenario is dominated by the alkaline liquid, exhibiting a negative buoyant jet flow. The characteristic effects of alkaline liquid on hydrogen also vary with changes in velocity.

氢能作为21世纪的绿色清洁能源,具有燃烧性能优异、无污染、储存方式多样、发展潜力巨大等诸多优点。然而,与氢气的可燃性和爆炸性有关的安全风险不容忽视。当遇到点火源时,生产和储存过程中的氢泄漏会造成严重威胁。为了更深入地了解氢气泄漏规律,利用CFD程序模拟了典型制氢工况下含碱性液体的氢气泄漏事故,并结合射流理论进行了分析。结果表明,碱性液体对氢气泄漏的影响主要表现在稀释和促进分散。纯氢泄漏的浓度一般高于碱性液体泄漏的浓度。在相同破断速度下,碱性液体泄漏的可燃区范围在垂直方向上与纯氢泄漏的可燃区范围一致,但在水平方向上明显更大。含碱性液体的氢气泄漏在不同流速下也表现出明显不同的流型。在较高速度下,整体特征以氢气动量射流为主,呈现正浮力射流型;在较低速度下,整体特征以碱性液体为主,呈现负浮力射流型。碱性液体对氢的特征效应也随流速的变化而变化。
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引用次数: 0
Pollutant Dispersion With Multiple Release Sources Under Intermittent Ventilation Modes in Industrial Plants 间歇通风模式下工业厂房多排放源污染物扩散
IF 1.4 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-02-12 DOI: 10.1002/apj.70004
Lingyan Cheng, Zhan Liu, Xin Yin

Depth understanding on the pollutant dispersion mechanism in large scale industrial buildings is significant for improving the air quality and supplying technique references on ventilation system design. Although a large amount of researches on ventilation system have been conducted, the effect of the intermittent ventilation mode on the pollutant diffusion with multiple release sources is still unclear. In the present study, the dispersion performance of hydrogen sulfide in an actual rubber processing plant was comprehensively investigated by model test and numerical simulation. The hybrid natural ventilation with mechanical exhaust was designed and used for the removal of hydrogen sulfide. A model test rig was established to measure the pollutant distribution in a transparent glass chamber with substitutive fluid sulfur hexafluoride. The numerical model of pollutant dispersion was built with considerations of temperature stratification and concentration diffusion. Compared against the test data, the prediction deviation of the numerical model was limited within 10%. The influence of the intermittent ventilation modes on the hydrogen sulfide dispersion was investigated and analyzed in detail. Some findings were obtained finally. This study could enrich the ventilation design on hydrogen sulfide dispersion in actual industrial plants and may supply some new insights on the dispersion mechanism of pollutants.

深入了解大型工业建筑中污染物的扩散机理,对改善空气质量和通风系统设计提供技术参考具有重要意义。虽然对通风系统进行了大量的研究,但间歇性通风方式对污染物多释放源扩散的影响尚不清楚。通过模型试验和数值模拟,对硫化氢在实际橡胶加工厂中的分散性能进行了全面研究。设计了自然通风与机械排风的混合通风方式,并将其应用于硫化氢的脱除。建立了以六氟化硫为替代流体的透明玻璃室内污染物分布模型试验台。建立了考虑温度分层和浓度扩散的污染物扩散数值模型。与试验数据相比,数值模型的预测偏差控制在10%以内。对间歇通风方式对硫化氢分散的影响进行了详细的研究和分析。最后得到了一些研究结果。本研究可以丰富实际工业厂房中硫化氢分散的通风设计,并可能对污染物的分散机理提供一些新的认识。
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引用次数: 0
Investigating the Effects of K Species on V2O5-WO3/TiO2 Catalyst: A DFT-Supported Comparative Analysis of Poisoning Methods 研究K种对V2O5-WO3/TiO2催化剂的影响:dft支持下中毒方法的比较分析
IF 1.4 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2025-02-11 DOI: 10.1002/apj.70002
Zulfiqar Ali, Long-peng Fang, Huai-de Sun, Yang-wen Wu, Manoj Kumar Panjwani, Khawaja Haider Ali, Ji Liu, Qiang Lu

The deactivation of V2O5-WO3/TiO2 (V-W/TiO2) catalysts in NH3-selective catalytic reduction (SCR) due to potassium (K) species from coal-fired power plant emissions has garnered significant attention, though the underlying mechanisms remain unclear. This study explores these deactivation mechanisms by introducing K poisoning through incipient wetness impregnation (IWI) and solid-state diffusion methods. Comprehensive analyses, including characterization techniques and density functional theory (DFT) simulations, revealed that increased KCl loading and longer diffusion times of calcination significantly reduce the catalyst's denitration activity. The interaction of KCl with the V2O5 component leads to a reduction in surface acidity and promotes K2O formation, which causes agglomeration on catalyst surface and reduces the surface area. Both methods of poisoning also diminish the redox properties of the catalyst due to an increased presence of low-valent vanadium (V4+, V3+) species. These results provide a detailed understanding of the deactivation process, offering a foundation for developing strategies to enhance the alkali metal poisoning resistance of commercial SCR catalysts.

燃煤电厂排放的钾(K)导致了nh3选择性催化还原(SCR)中V2O5-WO3/TiO2 (V-W/TiO2)催化剂的失活,尽管其潜在机制尚不清楚。本研究通过初湿浸渍(IWI)和固态扩散方法引入K中毒,探讨了这些失活机制。综合分析,包括表征技术和密度泛函数理论(DFT)模拟,表明KCl负载的增加和煅烧扩散时间的延长显著降低了催化剂的脱硝活性。KCl与V2O5组分的相互作用导致表面酸度降低,促进K2O的生成,使催化剂表面结块,使表面积减小。这两种中毒方法也降低了催化剂的氧化还原性能,因为增加了低价钒(V4+, V3+)的存在。这些结果提供了对失活过程的详细了解,为制定提高商用SCR催化剂抗碱金属中毒能力的策略提供了基础。
{"title":"Investigating the Effects of K Species on V2O5-WO3/TiO2 Catalyst: A DFT-Supported Comparative Analysis of Poisoning Methods","authors":"Zulfiqar Ali,&nbsp;Long-peng Fang,&nbsp;Huai-de Sun,&nbsp;Yang-wen Wu,&nbsp;Manoj Kumar Panjwani,&nbsp;Khawaja Haider Ali,&nbsp;Ji Liu,&nbsp;Qiang Lu","doi":"10.1002/apj.70002","DOIUrl":"https://doi.org/10.1002/apj.70002","url":null,"abstract":"<div>\u0000 \u0000 <p>The deactivation of V<sub>2</sub>O<sub>5</sub>-WO<sub>3</sub>/TiO<sub>2</sub> (V-W/TiO<sub>2</sub>) catalysts in NH<sub>3</sub>-selective catalytic reduction (SCR) due to potassium (K) species from coal-fired power plant emissions has garnered significant attention, though the underlying mechanisms remain unclear. This study explores these deactivation mechanisms by introducing K poisoning through incipient wetness impregnation (IWI) and solid-state diffusion methods. Comprehensive analyses, including characterization techniques and density functional theory (DFT) simulations, revealed that increased KCl loading and longer diffusion times of calcination significantly reduce the catalyst's denitration activity. The interaction of KCl with the V<sub>2</sub>O<sub>5</sub> component leads to a reduction in surface acidity and promotes K<sub>2</sub>O formation, which causes agglomeration on catalyst surface and reduces the surface area. Both methods of poisoning also diminish the redox properties of the catalyst due to an increased presence of low-valent vanadium (V<sup>4+</sup>, V<sup>3+</sup>) species. These results provide a detailed understanding of the deactivation process, offering a foundation for developing strategies to enhance the alkali metal poisoning resistance of commercial SCR catalysts.</p>\u0000 </div>","PeriodicalId":49237,"journal":{"name":"Asia-Pacific Journal of Chemical Engineering","volume":"20 3","pages":""},"PeriodicalIF":1.4,"publicationDate":"2025-02-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"144197089","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"工程技术","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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Asia-Pacific Journal of Chemical Engineering
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