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Oxygen-enhanced conversion-based process retrofit and assessment of natural gas steam reforming for synthetic ammonia production 合成氨生产天然气蒸汽重整的增氧转化工艺改造及评价
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-01-14 DOI: 10.1016/j.cherd.2026.01.029
Fuyao Yan , Wenpeng Shen , Bo Qi , Longgang Mo , Xueying Fan , Wei Song , Dongliang Wang
The ammonia industry faces critical challenges of high energy consumption and carbon emissions. Conventional steam methane reforming (SMR) process suffers from excessive fuel gas demand due to the strongly endothermic reactions in the primary reformer (PR) and the nitrogen surplus caused by excess air injection in the secondary reformer (SR) for methane conversion. This study investigates the effects of temperature, steam-to-carbon ratio, and oxygen content on reformer performance. It proposes an oxygen-enhanced conversion (OEC) process that redistributes methane conversion loads between reformers: reducing the load in the PR decreases fuel natural gas consumption, while introducing oxygen-enriched air (OEA) into the SR converts residual methane. Results demonstrate increased methane content at the PR outlet from 10 vol% to 30 vol%, reduced PR heat duty from 62.99 MW to 35.02 MW, and elevated oxygen content in SR air from 21 % to 28 %. A systematic comparison reveals that, compared to the conventional SMR process, the OEC process reduces fuel natural gas input from 186.54 to 51.49 Nm³ /t NH3, lowers direct CO2 emissions from 1707.06 to 1533.04 kg/t NH3, improves energy efficiency from 55.78 % to 59.68 %, and decreases production costs by 2.6 %. This offers a viable pathway for energy conservation and carbon reduction in ammonia synthesis.
合成氨行业面临着高能耗和高碳排放的严峻挑战。传统的蒸汽甲烷重整(SMR)工艺由于一次转化塔(PR)的吸热反应强烈,以及二次转化塔(SR)注气过多导致的氮气过剩,导致燃料气体需求量过大。本研究考察了温度、汽碳比和氧含量对重整器性能的影响。它提出了一种氧增强转化(OEC)过程,该过程在转化炉之间重新分配甲烷转化负荷:减少PR中的负荷可以减少燃料天然气消耗,同时将富氧空气(OEA)引入SR转化剩余甲烷。结果表明,PR出口的甲烷含量从10 vol%增加到30 vol%, PR热负荷从62.99 MW降低到35.02 MW, SR空气中的氧含量从21 %提高到28 %。系统比较表明,与传统SMR工艺相比,OEC工艺将燃料天然气投入从186.54 Nm³ /t NH3减少到51.49 Nm³ /t NH3,将二氧化碳直接排放量从1707.06降低到1533.04 kg/t NH3,将能源效率从55.78 %提高到59.68 %,降低生产成本2.6 %。这为氨合成的节能减碳提供了一条可行的途径。
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引用次数: 0
Assessing mixing performance and power consumption in the ambr® 250 bioreactor 评估ambr®250生物反应器的混合性能和功耗
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-01-14 DOI: 10.1016/j.cherd.2026.01.030
Laia Miranda , Sara Rodriguez-Conde , Olalekan Daramola , Andrea Ducci , Martina Micheletti
The ambr® 250, a miniaturized bioreactor extensively used in biopharmaceutical R&D, was characterized to evaluate power and mixing dynamics for mammalian cell culture applications. The study analyzed the effects of agitation speed, impeller configuration, internal components, working volume, and feed placement on dimensionless mixing number (Ntm) and power number (NP). Six impeller designs, including single and dual elephant ear (EE) configurations with varied angles and diameters, were investigated. Down-pumping (DP) mode reduced Ntm by 54 % and increased cumulative NP by 14–22 % compared to up-pumping (UP) mode. Mixing time (tm) remained consistent between single and dual EE impellers, though cumulative NP was 33 % higher for single EE impellers. Dual EE impellers in DP mode achieved the lowest power input per volume (P/V) for similar tm. Spatial mixing time distribution and probe-induced effects on mixing parameters were also assessed. An early transition to turbulence was observed at Reynolds numbers (Re) below 10,000 in unbaffled systems, regardless of the presence of internal components such as baffles and probes. Probes increased NP and Ntmby 49 % and 26 %, respectively. This characterization advances understanding of milliliter-scale bioreactor performance and provides a foundation for optimizing the design and operation of mammalian cell-based processes.
ambr®250是一种广泛用于生物制药研发的小型生物反应器,用于评估哺乳动物细胞培养应用的功率和混合动力学。研究分析了搅拌转速、叶轮构型、内部部件、工作体积和进料位置对无量纲混合数(Ntm)和功率数(NP)的影响。研究了不同角度和直径的单象耳和双象耳叶轮设计。与上抽(UP)模式相比,下抽(DP)模式减少了54%的Ntm,增加了14 - 22%的累积NP。混合时间(tm)在单叶轮和双叶轮之间保持一致,尽管单叶轮的累积NP高33%。DP模式下的双EE叶轮在类似的tm中实现了最低的每体积功率输入(P/V)。研究了混合时间的空间分布和探针对混合参数的影响。在无挡板系统中,无论是否存在挡板和探针等内部组件,在雷诺数(Re)低于10,000时,都观察到早期过渡到湍流。探针使NP和ntm分别增加了49%和26%。这种表征促进了对毫升级生物反应器性能的理解,并为优化哺乳动物细胞工艺的设计和操作提供了基础。
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引用次数: 0
Realisation of mathematical conditions ensuring smooth transition of heat and mass transfer at the boundaries of solids and liquids 实现数学条件,确保在固体和液体边界的传热和传质的平稳过渡
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-01-14 DOI: 10.1016/j.cherd.2026.01.032
J.E. Safarov , Sh.A. Sultanova , D.I. Samandarov , Gurbuz Gunes , M.R. Najafli , A.A. Mambetsheripova , M.M. Pulatov , Gunel Imanova
The drying process involving heat and mass transfer at solid-liquid interfaces is fundamental in various industries such as food, pharmaceuticals and textiles. One of the most challenging aspects of this phenomenon is to ensure smooth heat and mass transfer at solid-liquid interfaces, as discontinuities in boundary conditions can lead to inaccurate results and complicate process control. This study is devoted to the formulation of mathematical conditions that ensure a smooth transition at solid-liquid interfaces in a combined drying process. A transition state model based on Fourier and Fick equations is proposed to describe heat exchange and moisture diffusion in a food product. The modelling takes into account the thermophysical properties of the material, the heat transfer coefficient and the operating conditions of the system. Fundamental theories and mathematical methods required for effective modelling to improve the understanding and control of drying processes are also discussed.
涉及固液界面传热传质的干燥过程在食品、制药和纺织等各个行业中都是至关重要的。这种现象最具挑战性的方面之一是确保在固液界面上的平稳传热和传质,因为边界条件的不连续性可能导致不准确的结果和复杂的过程控制。本研究致力于制定数学条件,以确保在组合干燥过程中固体-液体界面的平稳过渡。提出了一种基于傅里叶方程和菲克方程的过渡态模型来描述食品中的热交换和水分扩散。该模型考虑了材料的热物理性质、传热系数和系统的运行条件。本文还讨论了有效建模所需的基本理论和数学方法,以提高对干燥过程的理解和控制。
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引用次数: 0
Limitations for improving selectivity in chemical reactors 提高化学反应器选择性的限制
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-01-14 DOI: 10.1016/j.cherd.2026.01.033
William L. Luyben
The design of chemical plants involves many engineering tradeoffs that balance capital cost, energy cost, operability, efficiency, safety, reliability, complexity, environmental impact and sustainability, to name a few. The classical tradeoff between reactor costs and separation costs dominates many decisions particularly when material and energy recycles are incorporated in the plant topology. Chemical reactors have several size and operating variables that must be selected to achieve an efficient and profitable system: size, temperature, pressure and reactant recycle. All of these parameters impact selectivity if undesirable byproducts are formed. The purpose of this paper is to quantitatively explores how reactor design variables can be adjusted to achieve very high selectivity in those cases in which the suppression of the production of the undesired product is critical because of safety, toxicity, environmental or sequestration issues.
化工厂的设计涉及许多工程权衡,以平衡资金成本,能源成本,可操作性,效率,安全性,可靠性,复杂性,环境影响和可持续性,仅举几例。反应器成本和分离成本之间的传统权衡主导了许多决策,特别是当材料和能源回收被纳入工厂拓扑结构时。化学反应器有几个尺寸和操作变量,必须选择,以实现一个有效和有利可图的系统:尺寸,温度,压力和反应物回收。如果形成不需要的副产物,所有这些参数都会影响选择性。本文的目的是定量地探讨如何调整反应器设计变量,以在由于安全、毒性、环境或封存问题而抑制不期望产品的生产至关重要的情况下实现非常高的选择性。
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引用次数: 0
All-weather anti-icing material: Biomimetic sponge coupling phase change energy storage with photothermal superhydrophobic surface 全天候防冰材料:具有光热超疏水表面的仿生海绵耦合相变储能
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-01-13 DOI: 10.1016/j.cherd.2026.01.028
Zhe Li , Peng Wang , Yafeng Zhang , Jiaxuan Zhang , Hangyu Miao , Jie Liu , Tong Huang , Ziheng Zheng , Wei Duan , Ying Yue
The new material integrating passive anti-icing and active de-icing features ensures long-lasting low-temperature protection, overcoming the poor durability of traditional superhydrophobic materials and the sunlight dependency of photothermal materials. Inspired by polar bear fur, this study develops a multifunctional silicone sponge with phase-change, superhydrophobic, and photothermal properties for anti-icing. By incorporating an n-tetradecane phase-change material (PCM) into a porous polydimethylsiloxane (PDMS) sponge to form an energy storage layer and combining squid ink powder-modified superhydrophobic photothermal coatings, performance synergy optimization can be achieved. Microscopic analysis showed that the phase-change material filled the sponge pores, while the surface coating formed micro/nanostructures, providing superhydrophobicity (CA 155.6°, RA 3.1°) and self-cleaning properties. Photothermal tests demonstrated a significant increase in solar absorption, with surface temperatures reaching 94.3°C under twice the solar light intensity. Combining PCM heat storage/release created a thermal plateau lasting up to 17,100 s, delaying temperature drops. Outdoor tests showed the material extended freezing time to 3633 ± 215 s at –15°C and enabled rapid de-icing within 105 ± 26 s under sunlight. Inspired by polar bear fur and fat, this biomimetic design achieves all-weather anti-icing, delaying ice formation over 8 h. It provides a new approach for extreme-environment materials with aerospace, power, and polar applications.
这种新型材料集成了被动防冰和主动除冰功能,确保了持久的低温保护,克服了传统超疏水材料耐久性差和光热材料对阳光的依赖。受北极熊皮毛的启发,本研究开发了一种具有相变、超疏水和光热性能的多功能防冰硅胶海绵。将正十四烷相变材料(PCM)加入多孔聚二甲基硅氧烷(PDMS)海绵中形成储能层,并结合鱿鱼墨粉改性超疏水光热涂层,实现性能协同优化。微观分析表明,相变材料填充了海绵孔隙,表面涂层形成微纳米结构,具有超疏水性(CA为155.6°,RA为3.1°)和自清洁性能。光热测试表明,太阳能吸收显著增加,在两倍的太阳光强度下,表面温度达到94.3°C。结合PCM热存储/释放创造了一个热平台,持续时间长达17,100 s,延迟温度下降。室外试验表明,该材料在-15°C条件下的冻结时间可延长至3633 ± 215 s,在阳光下可在105 ± 26 s内快速除冰。这款仿生设计的灵感来自北极熊的皮毛和脂肪,可以实现全天候防冰,将结冰时间推迟到8 小时以上。它为航空航天、电力和极地应用的极端环境材料提供了一种新的方法。
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引用次数: 0
Mechanisms of stratification and gel deposition during hot-cold blending of waxy crude oil 含蜡原油冷热调合过程中的分层和凝胶沉积机理
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-01-13 DOI: 10.1016/j.cherd.2026.01.016
Xingyue Pu , Yu Zhang , Yijie Wang , Mingzhang Xu , Ziyue Wang , Qiyu Huang , Zicheng Liu , Hongyu Wang
Hot-cold blending of waxy crude oils in interconnected pipelines can trigger rapid cooling, wax precipitation, and gel formation, posing serious risks to flow assurance. To address this challenge, a loop apparatus with a T-junction was developed to systematically investigate flow behavior and deposition characteristics under different temperature differences (ΔT) and momentum ratios (M). Flow visualization showed that increasing main-stream velocity transformed the branch jet from impinging to deflected and finally to wall jet, leading to reduced blending efficiency and enhanced flow heterogeneity. Wax deposition tests revealed that rapid cooling produced gels with smaller, loosely connected wax crystals, weaker intermolecular forces, and significantly lower yield stress compared with slow cooling. Based on differential scanning calorimetry (DSC) results and the Avrami equation, a predictive model for gel strength was established and validated against experimental data, achieving deviations within ±15 %. This work clarifies the mechanisms of rapid-cooling gel formation during hot–cold blending and provides a practical tool for evaluating deposition strength, offering guidance for blending operation design and pigging strategies in high pour point crude oil pipelines.
含蜡原油在相互连接的管道中进行冷热共混,会引发快速冷却、蜡沉淀和凝胶形成,给流动保障带来严重风险。为了解决这一挑战,研究人员开发了一种带有t型结的环路装置,以系统地研究不同温差(ΔT)和动量比(M)下的流动行为和沉积特征。流动可视化表明,随着主流速度的增加,分支射流由撞击型向偏转型转变,最终向壁面型转变,混合效率降低,流动非均质性增强。蜡沉积试验表明,与缓慢冷却相比,快速冷却产生的凝胶具有更小、连接松散的蜡晶体,分子间力更弱,屈服应力显著降低。基于差示扫描量热法(DSC)结果和Avrami方程,建立了凝胶强度预测模型,并根据实验数据进行了验证,误差在±15 %以内。该研究阐明了冷热调合过程中快速冷却凝胶形成的机理,为沉积强度评估提供了实用工具,为高凝点原油管道的调合作业设计和清管策略提供了指导。
{"title":"Mechanisms of stratification and gel deposition during hot-cold blending of waxy crude oil","authors":"Xingyue Pu ,&nbsp;Yu Zhang ,&nbsp;Yijie Wang ,&nbsp;Mingzhang Xu ,&nbsp;Ziyue Wang ,&nbsp;Qiyu Huang ,&nbsp;Zicheng Liu ,&nbsp;Hongyu Wang","doi":"10.1016/j.cherd.2026.01.016","DOIUrl":"10.1016/j.cherd.2026.01.016","url":null,"abstract":"<div><div>Hot-cold blending of waxy crude oils in interconnected pipelines can trigger rapid cooling, wax precipitation, and gel formation, posing serious risks to flow assurance. To address this challenge, a loop apparatus with a T-junction was developed to systematically investigate flow behavior and deposition characteristics under different temperature differences (ΔT) and momentum ratios (M). Flow visualization showed that increasing main-stream velocity transformed the branch jet from impinging to deflected and finally to wall jet, leading to reduced blending efficiency and enhanced flow heterogeneity. Wax deposition tests revealed that rapid cooling produced gels with smaller, loosely connected wax crystals, weaker intermolecular forces, and significantly lower yield stress compared with slow cooling. Based on differential scanning calorimetry (DSC) results and the Avrami equation, a predictive model for gel strength was established and validated against experimental data, achieving deviations within ±15 %. This work clarifies the mechanisms of rapid-cooling gel formation during hot–cold blending and provides a practical tool for evaluating deposition strength, offering guidance for blending operation design and pigging strategies in high pour point crude oil pipelines.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"226 ","pages":"Pages 437-449"},"PeriodicalIF":3.9,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145973740","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
A new strategy for sulfide recovery through synergistic pyrolysis of sodium sulfate and sodium thiocyanate 硫酸钠和硫氰酸钠协同热解回收硫化物的新策略
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-01-13 DOI: 10.1016/j.cherd.2026.01.027
Xiaoge Wang , Binchuan Li , Daxue Fu , Jianshe Chen , Shuang Cui , Kuiren Liu , Yina Li , Yongfeng Chang , Qing Han
Cyanide-containing wastewater from the gold industry often contains high concentrations of sodium sulfate (Na2SO4) and sodium thiocyanate (NaSCN), resulting in large amounts of waste salts. This study presents, for the first time, the utilization of the reducing property of NaSCN to convert Na2SO4 waste salts into value-added products such as sodium disulfide (Na2S2), sodium sulfide (Na2S), and calcium sulfide (CaS), achieving the synergistic resource recovery of both salts. The pyrolysis of NaSCN alone, the co-pyrolysis of NaSCN and Na2SO4, and the effect of calcium oxide (CaO) on the pyrolysis process were investigated. Thermogravimetric analysis results indicate that, compared to carbothermal reduction, using NaSCN as a reducing agent can lower the theoretical reduction temperature of Na2SO4 by 267.3 K. The products from the pyrolysis of NaSCN alone are Na2S2, C, and N2(g). The solid products from the co-pyrolysis of Na2SO4 and NaSCN are Na2S2 and Na2S. In the Na2SO4-NaSCN-CaO system, the solid pyrolysis products are Na2S and CaS. The intermediate gaseous products CO(g) and CO2(g) generated during the pyrolysis of NaSCN significantly influence the reaction kinetics. At 973 K for 30 min, Na2SO4 can be completely reduced by NaSCN. In the Na2SO4-NaSCN-CaO system, however, the absorption of CO2(g) by CaO to form calcium carbonate (CaCO3) inhibits rapid pyrolysis at lower temperatures, requiring 60 min at 973 K to achieve complete conversion of SCN- ions. The reduction of Na2SO4 by NaSCN involves complex reactions among solid, liquid, and gas phases. Through in-depth analysis of the reaction process and thermodynamic equation fitting, it is confirmed that the rate-controlling step is the gas-solid interfacial reaction. The apparent activation energies for the Na2SO4-NaSCN and Na2SO4-NaSCN-CaO systems are 154.56 kJ·mol−1 and 141.23 kJ·mol−1, respectively.
来自黄金工业的含氰废水通常含有高浓度的硫酸钠(Na2SO4)和硫氰酸钠(NaSCN),从而产生大量的废盐。本研究首次利用NaSCN的还原性,将Na2SO4废盐转化为二硫化钠(Na2S2)、硫化钠(Na2S)和硫化钙(CaS)等增值产品,实现了两种盐的资源协同回收。研究了Na2SO4与Na2SO4共热解、Na2SO4与NaSCN单独热解以及氧化钙(CaO)对热解过程的影响。热重分析结果表明,与碳热还原相比,使用NaSCN作为还原剂可使Na2SO4的理论还原温度降低267.3 K。仅NaSCN的热解产物为Na2S2、C和N2(g)。Na2SO4和NaSCN共热解的固体产物为Na2S2和Na2S。在Na2SO4-NaSCN-CaO体系中,固体热解产物为Na2S和CaS。NaSCN热解过程中产生的中间气体产物CO(g)和CO2(g)对反应动力学有显著影响。在973 K和30 min下,Na2SO4可以被NaSCN完全还原。然而,在Na2SO4-NaSCN-CaO体系中,CaO对CO2(g)的吸收形成碳酸钙(CaCO3)抑制了低温下的快速热解,在973 K下需要60 min才能实现SCN-离子的完全转化。用NaSCN还原Na2SO4涉及固、液、气相的复杂反应。通过对反应过程的深入分析和热力学方程的拟合,确定了控制速率的步骤为气固界面反应。Na2SO4-NaSCN和Na2SO4-NaSCN- cao体系的表观活化能分别为154.56 kJ·mol−1和141.23 kJ·mol−1。
{"title":"A new strategy for sulfide recovery through synergistic pyrolysis of sodium sulfate and sodium thiocyanate","authors":"Xiaoge Wang ,&nbsp;Binchuan Li ,&nbsp;Daxue Fu ,&nbsp;Jianshe Chen ,&nbsp;Shuang Cui ,&nbsp;Kuiren Liu ,&nbsp;Yina Li ,&nbsp;Yongfeng Chang ,&nbsp;Qing Han","doi":"10.1016/j.cherd.2026.01.027","DOIUrl":"10.1016/j.cherd.2026.01.027","url":null,"abstract":"<div><div>Cyanide-containing wastewater from the gold industry often contains high concentrations of sodium sulfate (Na<sub>2</sub>SO<sub>4</sub>) and sodium thiocyanate (NaSCN), resulting in large amounts of waste salts. This study presents, for the first time, the utilization of the reducing property of NaSCN to convert Na<sub>2</sub>SO<sub>4</sub> waste salts into value-added products such as sodium disulfide (Na<sub>2</sub>S<sub>2</sub>), sodium sulfide (Na<sub>2</sub>S), and calcium sulfide (CaS), achieving the synergistic resource recovery of both salts. The pyrolysis of NaSCN alone, the co-pyrolysis of NaSCN and Na<sub>2</sub>SO<sub>4</sub>, and the effect of calcium oxide (CaO) on the pyrolysis process were investigated. Thermogravimetric analysis results indicate that, compared to carbothermal reduction, using NaSCN as a reducing agent can lower the theoretical reduction temperature of Na<sub>2</sub>SO<sub>4</sub> by 267.3 K. The products from the pyrolysis of NaSCN alone are Na<sub>2</sub>S<sub>2</sub>, C, and N<sub>2</sub>(g). The solid products from the co-pyrolysis of Na<sub>2</sub>SO<sub>4</sub> and NaSCN are Na<sub>2</sub>S<sub>2</sub> and Na<sub>2</sub>S. In the Na<sub>2</sub>SO<sub>4</sub>-NaSCN-CaO system, the solid pyrolysis products are Na<sub>2</sub>S and CaS. The intermediate gaseous products CO(g) and CO<sub>2(</sub>g) generated during the pyrolysis of NaSCN significantly influence the reaction kinetics. At 973 K for 30 min, Na<sub>2</sub>SO<sub>4</sub> can be completely reduced by NaSCN. In the Na<sub>2</sub>SO<sub>4</sub>-NaSCN-CaO system, however, the absorption of CO<sub>2</sub>(g) by CaO to form calcium carbonate (CaCO<sub>3</sub>) inhibits rapid pyrolysis at lower temperatures, requiring 60 min at 973 K to achieve complete conversion of SCN<sup>-</sup> ions. The reduction of Na<sub>2</sub>SO<sub>4</sub> by NaSCN involves complex reactions among solid, liquid, and gas phases. Through in-depth analysis of the reaction process and thermodynamic equation fitting, it is confirmed that the rate-controlling step is the gas-solid interfacial reaction. The apparent activation energies for the Na<sub>2</sub>SO<sub>4</sub>-NaSCN and Na<sub>2</sub>SO<sub>4</sub>-NaSCN-CaO systems are 154.56 kJ·mol<sup>−1</sup> and 141.23 kJ·mol<sup>−1</sup>, respectively.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"226 ","pages":"Pages 667-675"},"PeriodicalIF":3.9,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"146034748","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Synthesis of Na2O/Ba-chitosan heterogeneous base catalyst for sustainable biodiesel production from pongamia oil: Optimization, kinetics, and thermodynamic analysis 以海蚌油为原料制备可持续生物柴油的Na2O/ ba -壳聚糖多相碱催化剂:优化、动力学和热力学分析
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-01-13 DOI: 10.1016/j.cherd.2026.01.024
Ihtisham Wali Khan , Imran Ullah , Abdul Naeem , Muhammad Farooq , Yinhai Su , Tooba Saeed , Sabiha Sultana , Zafar A.K. Khattak , Muhammad Shahid
Biodiesel, a promising renewable alternative to fossil fuels, addresses rising environmental concerns and the global energy crisis. In this study, a novel Na2O/Ba-chitosan catalyst was designed for the catalytic conversion of pongamia seed oil (PO) to sustainable biodiesel. Various characterization techniques, including XRD, FTIR, SEM, EDX, BET, and TPD, confirmed the successful synthesis of the designed catalyst. The catalyst exhibited a high basic site density of 2.185 mmol/g and demonstrated excellent catalytic performance under moderate reaction conditions (1:35 PO/MeOH, 150 min, 75 ℃, and 3 wt% catalyst loading), achieving a biodiesel yield of 93 %. Notably, the Na2O/Ba-chitosan catalyst retained its catalytic activity over 7th consecutive cycles, demonstrating its stability and reusability. The synthesized biodiesel was investigated via GC-MS and FTIR to confirm its quality and composition. Kinetic studies based on 1st-order, 2nd-order, and pseudo-1st-order models revealed that the Na2O/Ba-chitosan catalyzed trans-esterification reaction follows a pseudo-1st-order model, with an activation energy of 74.90 kJ/mol. The calculated thermodynamic parameters (ΔH = 77 kJ·mol−1, ΔS = −65.065 J·mol−1·K−1, ΔG = 79.77 kJ·mol−1) provide further insight into the reaction pathway. Additionally, the cost of the Na2O/Ba-chitosan catalyst was estimated to assess its economic feasibility for large-scale application.
生物柴油是一种很有前途的可再生化石燃料替代品,可以解决日益严重的环境问题和全球能源危机。本研究设计了一种新型的Na2O/ ba -壳聚糖催化剂,用于催化鱼籽油(PO)转化为可持续生物柴油。各种表征技术,包括XRD, FTIR, SEM, EDX, BET和TPD,证实了设计的催化剂的成功合成。该催化剂具有较高的碱基密度(2.185 mmol/g),在中等反应条件(1:35 PO/MeOH, 150 min, 75℃,3 wt%的催化剂负载)下表现出优异的催化性能,可获得93 %的生物柴油产率。值得注意的是,Na2O/ ba -壳聚糖催化剂在连续7次循环中保持了催化活性,表明其稳定性和可重复使用性。通过GC-MS和FTIR对合成的生物柴油进行了表征,确定了生物柴油的质量和组成。基于一级、二级和准一级模型的动力学研究表明,Na2O/ ba -壳聚糖催化的反式酯化反应符合准一级模型,活化能为74.90 kJ/mol。计算得到的热力学参数(ΔH = 77 kJ·mol−1,ΔS =−65.065 J·mol−1·K−1,ΔG = 79.77 kJ·mol−1)为进一步了解反应途径提供了依据。此外,对Na2O/ ba -壳聚糖催化剂的成本进行了估算,以评估其大规模应用的经济可行性。
{"title":"Synthesis of Na2O/Ba-chitosan heterogeneous base catalyst for sustainable biodiesel production from pongamia oil: Optimization, kinetics, and thermodynamic analysis","authors":"Ihtisham Wali Khan ,&nbsp;Imran Ullah ,&nbsp;Abdul Naeem ,&nbsp;Muhammad Farooq ,&nbsp;Yinhai Su ,&nbsp;Tooba Saeed ,&nbsp;Sabiha Sultana ,&nbsp;Zafar A.K. Khattak ,&nbsp;Muhammad Shahid","doi":"10.1016/j.cherd.2026.01.024","DOIUrl":"10.1016/j.cherd.2026.01.024","url":null,"abstract":"<div><div>Biodiesel, a promising renewable alternative to fossil fuels, addresses rising environmental concerns and the global energy crisis. In this study, a novel Na<sub>2</sub>O/Ba-chitosan catalyst was designed for the catalytic conversion of pongamia seed oil (PO) to sustainable biodiesel. Various characterization techniques, including XRD, FTIR, SEM, EDX, BET, and TPD, confirmed the successful synthesis of the designed catalyst. The catalyst exhibited a high basic site density of 2.185 mmol/g and demonstrated excellent catalytic performance under moderate reaction conditions (1:35 PO/MeOH, 150 min, 75 ℃, and 3 wt% catalyst loading), achieving a biodiesel yield of 93 %. Notably, the Na<sub>2</sub>O/Ba-chitosan catalyst retained its catalytic activity over 7th consecutive cycles, demonstrating its stability and reusability. The synthesized biodiesel was investigated via GC-MS and FTIR to confirm its quality and composition. Kinetic studies based on 1st-order, 2nd-order, and pseudo-1st-order models revealed that the Na<sub>2</sub>O/Ba-chitosan catalyzed trans-esterification reaction follows a pseudo-1st-order model, with an activation energy of 74.90 kJ/mol. The calculated thermodynamic parameters (ΔH = 77 kJ·mol<sup>−1</sup>, ΔS = −65.065 J·mol<sup>−1</sup>·K<sup>−1</sup>, ΔG = 79.77 kJ·mol<sup>−1</sup>) provide further insight into the reaction pathway. Additionally, the cost of the Na<sub>2</sub>O/Ba-chitosan catalyst was estimated to assess its economic feasibility for large-scale application.</div></div>","PeriodicalId":10019,"journal":{"name":"Chemical Engineering Research & Design","volume":"226 ","pages":"Pages 387-401"},"PeriodicalIF":3.9,"publicationDate":"2026-01-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"145973888","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"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
Investigation of stress conditions and energy efficiency in dry stirred media milling by DEM simulation 用DEM模拟研究干搅拌介质铣削过程中的应力条件和能量效率
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-01-13 DOI: 10.1016/j.cherd.2026.01.026
P. Prziwara , S. Breitung-Faes , A. Kwade
Dry operated stirred media mills are gaining increasing relevance in fine grinding applications due to their high energy densities and process flexibility. Nevertheless, the interrelation between operating parameters and stress conditions remains insufficiently understood compared to wet milling systems. In this work, the grinding media motion within a vertically oriented batch stirred media mill was investigated using Discrete Element Method (DEM) simulations, experimentally calibrated to incorporate the influence of powder flowability as a function of grinding aid formulation and applied to dry milling experiments of calcium carbonate. The results reveal that, analogous to wet operation, an optimum stress intensity exists at which the specific energy demand to achieve a target fineness is minimized. For dry milling, however, the stress intensity must be defined as the ratio of stress energy to the stressed product mass, since the captured product fraction which varies with powder properties is decisive for the stress intensity value. DEM analysis further indicates that the tip speed alone does not adequately represent the effective bead velocity distribution under dry conditions. The study demonstrates that both operating parameters and product formulation significantly affect the stress environment and comminution efficiency, implying that individual optimization strategies are required for each product system.
由于其高能量密度和工艺灵活性,干式搅拌介质磨机在精细研磨应用中获得越来越多的相关性。然而,与湿磨系统相比,操作参数和应力条件之间的相互关系仍然没有得到充分的了解。在这项工作中,使用离散元方法(DEM)模拟研究了垂直定向间歇式搅拌介质磨机中的研磨介质运动,实验校准了粉末流动性作为助磨剂配方的函数的影响,并应用于碳酸钙的干磨实验。结果表明,与湿法操作类似,存在一个最佳应力强度,在该应力强度下,达到目标细度的比能量需求最小。然而,对于干磨,应力强度必须定义为应力能与受应力产品质量之比,因为捕获的产品分数随粉末性能的变化而变化,对应力强度值起决定性作用。DEM分析进一步表明,在干燥条件下,单靠尖端速度不能充分代表有效的头部速度分布。研究表明,操作参数和产品配方对应力环境和粉碎效率都有显著影响,这意味着每个产品系统都需要单独的优化策略。
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引用次数: 0
Decarbonizing the fertilizer sector: Evaluation of renewable urea production from agro-industrial wastes through process modeling and supply chain optimization 脱碳肥料部门:通过过程建模和供应链优化评估从农业工业废物中生产可再生尿素
IF 3.9 3区 工程技术 Q2 ENGINEERING, CHEMICAL Pub Date : 2026-01-12 DOI: 10.1016/j.cherd.2026.01.020
Diego Lopes, Moisés Teles dos Santos
Nitrogen-based fertilizers production is an energy intensive chemical process, responsible for considerable GHG emissions and heavily dependent on fossil fuels. The present study evaluates the economic feasibility of a renewable urea process by coupling process modeling and simulation with supply chain modeling and optimization. The process model comprises biomass gasification, air separation unit, gas conditioning, carbon capture, ammonia and urea synthesis, and auxiliary utility systems. Six agro-industrial wastes were evaluated: sugarcane bagasse, sugarcane straw, soybean straw, corn stover, rice husk and coffee husk. The supply chain model comprises biomass availability and urea demand using a public dataset of planted area, harvested area and yearly production for all crops of commercial interest at all cities in Brazil. A Mixed-Integer Linear Programming model was developed to evaluate the optimal combination of facility location, biomass and technological routes that maximizes the Net Present Value of the plant. The process model results show that the proposed plant achieves an energy consumption of 21.49 GJ/t and 366.6 kg CO2/turea with sugarcane bagasse as the most efficient biomass, against 18.40 GJ/t and 2640 kg CO2/turea for the conventional process. The supply chain model results indicate that processing sugarcane straw with air gasification in the São Paulo region is the best combination of biomass, route and location, achieving an NPV of 355.17 MMUSD and a levelized cost of urea of 319 USD/turea. Urea demand and distribution costs are shown to be a critical factor in the feasibility of the plant, which corroborates the importance of a hybrid approach that takes into account both process and supply chain decisions in the deployment of biorefinery processes.
氮基肥料的生产是一个能源密集型的化学过程,造成相当大的温室气体排放,并严重依赖化石燃料。本研究通过过程建模和仿真与供应链建模和优化相结合的方法来评估可再生尿素工艺的经济可行性。该工艺模型包括生物质气化、空分装置、气体调节、碳捕获、氨和尿素合成以及辅助公用事业系统。对甘蔗渣、甘蔗秸秆、大豆秸秆、玉米秸秆、稻壳和咖啡壳等6种农工废弃物进行了评价。供应链模型包括生物质可用性和尿素需求,使用巴西所有城市所有商业利益作物的种植面积、收获面积和年产量的公共数据集。开发了一个混合整数线性规划模型来评估设施位置,生物量和技术路线的最佳组合,以最大化工厂的净现值。过程模型结果表明,以甘蔗渣为最有效的生物质,该工厂实现了21.49 GJ/t和366.6 kg CO2/turea的能源消耗,而传统工艺为18.40 GJ/t和2640 kg CO2/turea。供应链模型结果表明,在圣保罗地区处理甘蔗秸秆与空气气化是生物质、路线和位置的最佳组合,实现了355.17 MMUSD的净现值和319美元/turea的尿素均等化成本。尿素需求和配送成本被证明是影响工厂可行性的关键因素,这证实了混合方法的重要性,该方法在生物炼制过程的部署中同时考虑了过程和供应链决策。
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Chemical Engineering Research & Design
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