AIChE Journal最新文献

英文中文

Enhanced coupling of the tubular direct ammonia solid oxide fuel cells for efficient ammonia-to-power 管式直接氨固体氧化物燃料电池的增强耦合，以实现高效的氨发电

IF 3.5 3区工程技术 Q2 ENGINEERING, CHEMICAL

AIChE Journal

Pub Date : 2025-03-24 DOI: 10.1002/aic.18694

Shuai Chen, Xiaofei Liao, Jiacheng You, Yiting Jiang, Fulan Zhong, Huihuang Fang, Yu Luo, Lilong Jiang

Direct ammonia solid oxide fuel cells (DA-SOFCs) have triggered great interest due to their efficient power generation from ammonia directly. However, the compatible match of ammonia decomposition and electrooxidation in the DA-SOFCs remains greatly challenging due to their endo/exothermic properties. Herein, multi-sizes tubular DA-SOFCs were systematically investigated for performance evaluation of power output and ammonia decomposition. Accordingly, a multi-scale electro-thermo model for tubular DA-SOFC was established to intensify the synergy between complex physical–chemical processes and geometry. With the combination of experimental work and simulations, the effects of operating conditions and geometry were comprehensively evaluated. Significantly, the rates of ammonia decomposition and electrooxidation could be effectively matched through the optimization of operating conditions. The geometric design further enables the temperature-zoning of the two processes, competently enhancing the thermal coupling between them. Conclusively, the correlation equations linking the operating conditions, geometry and electrical efficiency were proposed for the scaling-up of tubular DA-SOFCs unit. The tubular DA-SOFC achieves 3.5 W with 60% electrical efficiency, and performed a satisfactory stability for over 330 h. This study provides guidance for oriented design of tubular DA-SOFCs with high electrical efficiency.

直接氨固体氧化物燃料电池（DA‐sofc）由于其直接从氨中高效发电而引起了人们的极大兴趣。然而，由于DA - sofc的内/放热性质，氨分解和电氧化的相容性匹配仍然具有很大的挑战性。本文系统地研究了多尺寸管状DA - SOFCs的功率输出和氨分解性能。因此，建立了管状DA - SOFC的多尺度电热模型，以加强复杂的物理化学过程和几何结构之间的协同作用。通过实验与仿真相结合的方法，综合评价了操作条件和几何形状的影响。通过优化操作条件，可以有效地匹配氨分解速率和电氧化速率。几何设计进一步实现了两个过程的温度分区，有效地增强了它们之间的热耦合。最后，提出了管状DA - SOFCs装置放大的操作条件、几何形状和电效率的相关方程。管状DA‐SOFC达到3.5 W，电效率为60%，并且在330小时以上的时间内表现出令人满意的稳定性。该研究为具有高电效率的管状DA‐SOFC的定向设计提供了指导。

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引用次数: 0

An expanded library of 76 integration sites for gene expression in Saccharomyces cerevisiae 酿酒酵母76个基因表达整合位点的扩展文库

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

AIChE Journal

Pub Date : 2025-03-24 DOI: 10.1002/aic.18818

Xiaolong Teng, Yuanwei Gou, Xuanwei Ding, Yueping Zhang, Di Gao, Yingjia Pan, Xiaolin Shen, Jiazhang Lian, Chun Li, Jinyu Fu, Shuobo Shi

Constructing efficient yeast cell factories involves introducing heterologous biosynthetic pathways and overexpressing key genes. Chromosomal integration of recombinant genes is preferred over episomal plasmids for greater stability during large-scale industrial cultivation. The expression of complex pathways in engineered microbes necessitates the activation of an increasing number of genes, a process limited by the availability of suitable integration sites. To address this challenge, we investigated 125 potential chromosomal sites in Saccharomyces cerevisiae by inserting mCherry using the CRISPR/Cas9 technique to evaluate their capacity to integrate and express heterologous genes. Subsequently, 76 sites were identified to support effective integration with genomic stability. Furthermore, to demonstrate the potential for multiplexed engineering, we successfully performed a one-step, four-locus integration of the β-carotene pathway using the characterized sites. The expanded integration sites are expected to be valuable for constructing yeast cell factories for applications in synthetic biology and metabolic engineering.

构建高效的酵母细胞工厂需要引入异源生物合成途径和过表达关键基因。在大规模工业培养中，重组基因的染色体整合比表观质粒更稳定。工程微生物中复杂途径的表达需要激活越来越多的基因，这一过程受到合适整合位点的可用性的限制。为了解决这一挑战，我们利用CRISPR/Cas9技术，通过插入mCherry，研究了酿酒酵母中125个潜在的染色体位点，以评估它们整合和表达外源基因的能力。随后，鉴定出76个位点支持与基因组稳定性的有效整合。此外，为了证明多路工程的潜力，我们成功地利用这些特征位点对β-胡萝卜素途径进行了一步、四位点整合。扩展的整合位点有望在酵母细胞工厂的构建中应用于合成生物学和代谢工程。

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引用次数: 0

Aqueous phase reforming of glycerol over Pt/NiAl2O4 catalyst 在 Pt/NiAl2O4 催化剂上进行甘油水相转化

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

AIChE Journal

Pub Date : 2025-03-22 DOI: 10.1002/aic.18828

Lingxiang Huang, Xiaohui Liu, Yanqin Wang, Yongsheng Li, Yong Guo

Glycerol hydrogen production by aqueous phase reforming (APR) has been shown to be an efficient method of treating glycerol, which is an abundant by-product of biodiesel production. This study investigates the APR of glycerol using a Pt/NiAl₂O₄ catalyst, aiming to develop a sustainable method for hydrogen production from biodiesel byproducts. In comparison with traditional supports, NiAl₂O₄ provides improved thermal stability and resistance to phase transformation. Characterization techniques have revealed that the NiAl₂O₄ support enhances the dispersion and stability of Pt particles, contributing to a glycerol conversion into gaseous products of 99.9% and a lifespan of longer than 530 hours (only 2% loss). Reaction pathways were explored, suggesting that Pt/NiAl₂O₄ effectively promotes both dehydrogenation and water-gas shift reactions, thereby highlighting its potential for APR applications in bio-hydrogen production.

甘油是生物柴油生产过程中丰富的副产物，水相重整制氢已被证明是处理甘油的有效方法。本研究利用Pt/NiAl2O4催化剂研究了甘油的APR，旨在开发一种可持续的生物柴油副产品制氢方法。与传统支架相比，NiAl2O4具有更好的热稳定性和抗相变能力。表征技术表明，NiAl2O4载体增强了Pt颗粒的分散性和稳定性，有助于将甘油转化为99.9%的气态产物，寿命超过530小时（仅损失2%）。研究结果表明，Pt/NiAl2O4可有效促进脱氢和水煤气转换反应，从而突出了其在APR生物制氢中的应用潜力。

引用次数: 0

On the chaotic characteristics and turbulent mixing mechanisms of elliptical unbaffled stirred tanks 论椭圆形无褶皱搅拌罐的混沌特性和湍流混合机制

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

AIChE Journal

Pub Date : 2025-03-22 DOI: 10.1002/aic.18827

Anqi Li, Yuan Yao, Xin Zhang, Shiliang Gu, Yu Wan, Ping Li, Yundong Wang, Changyuan Tao, Zuohua Liu

This study investigates the chaotic characteristics and turbulent mixing mechanisms of an elliptical unbaffled stirred tank. Simulations and experiments demonstrate that the mixing performance of the elliptical unbaffled stirred tank outperforms that of a cylindrical one. The elliptical unbaffled stirred tank suppresses the formation of the center-surface vortex and columnar eddy while inducing numerous multiscale eddies due to the sidewall squeezing effect. Macromixing time decreases by about 10–15 times. Turbulent kinetic energy in the impeller region increases by 2–3 times, and axial flow number rises by 30%. Correlation dimension and largest Lyapunov exponent quantify the degree of chaos, with increases of 4.4% and 14.3%, respectively. A novel chaotic attractor reconstruction based on the variational mode decomposition method reveals that more random velocity fluctuations lead to more complex chaotic attractors, suggesting that smaller-scale eddies dominate and lead to excellent mixing. This study sheds new insights into enhancing global turbulent mixing in reactors.

研究了椭圆无挡板搅拌槽的混沌特性和湍流混合机理。仿真和实验结果表明，椭圆型无挡板搅拌槽的混合性能优于圆柱形搅拌槽。椭圆型无挡板搅拌槽抑制了中心表面涡和柱状涡的形成，但由于侧壁挤压作用，产生了大量的多尺度涡。宏混合时间减少约10-15倍。叶轮区域湍流动能提高2-3倍，轴流数提高30%。相关维数和最大Lyapunov指数量化了混乱程度，分别增加了4.4%和14.3%。一种基于变分模态分解方法的混沌吸引子重构方法表明，更多的随机速度波动导致更复杂的混沌吸引子，这表明较小尺度的涡流占主导地位并导致良好的混合。该研究为增强反应器中整体湍流混合提供了新的见解。

引用次数: 0

Solution of boundary value problems for batteries: Operator-theoretic methods 电池边值问题的求解：算子理论方法

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

AIChE Journal

Pub Date : 2025-03-21 DOI: 10.1002/aic.18816

Doraiswami Ramkrishna, Kandukuri S. Gandhi

Batteries with porous electrodes of negligible ionic and electronic conduction resistance are modeled with reaction-diffusion equations in multilayered media. The classical separation of variables becomes inapplicable to battery problems because of nonlinearities in reaction rates and constraints of imposed current. A linear operator-theoretic approach to the diffusive part converts the battery equations into an integral equation and can be efficiently solved by successive approximations. The current density condition is transformed into a restriction and applied to a battery with two porous electrodes and separator. The use of the standard inner product for solution assuming diffusion to be slow in only one electrode introduces nonselfadjointness which is cured by a modification [1]. Example of the lithium battery demonstrates the power of the method to incorporate nonlinear kinetics. This approach is a generic methodology that, combined with computation, will solve a complex variety of problems in battery dynamics in diffusion-reaction controlled regimes.

采用多层介质中的反应扩散方程对具有可忽略离子和电子传导电阻的多孔电极的电池进行了建模。由于反应速率的非线性和施加电流的限制，经典的分离变量方法已不适用于电池问题。扩散部分的线性算符理论方法将电池方程转换为积分方程，可以通过逐次逼近有效地求解。将电流密度条件转化为限制条件，并应用于具有两个多孔电极和分离器的电池。假设在一个电极中扩散缓慢，使用标准内积溶液会引入非自伴随性，这种非自伴随性可以通过改性[1]来治愈。锂电池的例子证明了该方法结合非线性动力学的力量。这种方法是一种通用的方法，与计算相结合，将解决扩散反应控制下电池动力学中的各种复杂问题。

引用次数: 0

Synthesis of heat-integrated thermally coupled nonsharp distillation using self-adaptive spherical search 利用自适应球形搜索合成热集成热耦合非尖锐蒸馏器

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

AIChE Journal

Pub Date : 2025-03-20 DOI: 10.1002/aic.18801

Anqing Wang, Ruixuan Ying, Yasuhiro Fukushima

Although thermally coupled distillation (TCD) exhibits strong energy efficiency, the possibility of utility cost savings remains debatable. TCD designs that do not consider vapor transport can underestimate costs, making section rearrangement crucial to find more operable configurations. This study proposes an algorithm to generate a separation matrix of basic configurations, enumerating their thermodynamically equivalent configurations using a coding method and filtering the operable configurations. Acyclic simulation and proposed section pressure distribution strategies enable optimization without altering the flowsheet. The TCD system was optimized for total annualized cost using self-adaptive spherical search. Case studies reveal that TCD saves up to 49% in heating duty compared to that of conventional sequences; however, utility costs increase by 12–133%. This study demonstrates that the flexibility of operating at different design pressures outweighs the potential savings of TCD; however, this can be compensated for by the reduced capital costs of the dividing-wall column.

虽然热耦合蒸馏（TCD）表现出很强的能源效率，但公用事业成本节约的可能性仍然存在争议。不考虑蒸汽输运的TCD设计可能会低估成本，因此重新布置截面对于找到更可操作的配置至关重要。本文提出了一种生成基本构型分离矩阵的算法，利用编码方法枚举其热力学等效构型，并对可操作构型进行过滤。无循环模拟和提出的截面压力分布策略可以在不改变流程的情况下进行优化。利用自适应球面搜索优化TCD系统的年化总成本。案例研究表明，与传统序列相比，TCD可节省高达49%的加热费用；然而，公用事业成本增加了12-133%。该研究表明，在不同设计压力下操作的灵活性超过了TCD的潜在节省；然而，这可以通过降低分隔墙柱的资本成本来弥补。

引用次数: 0

Tailoring titanium species to boost bifunctional Au-TS-1 catalyzing propylene hydro-oxidation 定制钛品种，以促进双功能Au-TS-1催化丙烯氢氧化

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

AIChE Journal

Pub Date : 2025-03-18 DOI: 10.1002/aic.18820

Yujie Liao, Zhihua Zhang, Yueqiang Cao, Shudong Shi, Daiyi Yu, Xuezhi Duan, Xinggui Zhou

The speciation of titanium is a crucial factor that influences the catalytic activity of TS-1, an efficient catalyst for selective oxidations. This study investigates how different thermal treatment conditions affect titanium speciation in TS-1. A variety of characterization techniques were employed to identify changes in the titanium speciation, while propylene hydro-oxidation served as a probe reaction to assess the impact of these changes on the synergistic interaction between TS-1 and Au nanoparticles. Our findings reveal that conventional thermal calcination induces a transformation of some titanium species from tetrahedral coordination Ti⁴⁺ to extra-framework anatase TiO₂. In contrast, thermal treatment under an inert nitrogen atmosphere at lower temperatures effectively mitigates this transformation, resulting in a reduced amount of extra-framework TiO₂. This optimization leads to enhanced utilization of H₂O₂ and decreased isomerization conversion of propylene oxide, ultimately boosts bifunctional Au-TS-1 catalyzing propylene hydro-oxidation.

TS-1是一种高效的选择性氧化催化剂，钛的形态是影响其催化活性的重要因素。本研究探讨不同热处理条件对TS-1中钛形态的影响。采用了多种表征技术来鉴定钛形态的变化，而丙烯氢化氧化反应作为探针反应来评估这些变化对TS-1与Au纳米颗粒之间协同作用的影响。我们的研究结果表明，传统的热煅烧诱导一些钛物种从四面体配位Ti4+转变为框架外锐钛矿TiO2。相比之下，在惰性氮气氛下进行热处理，在较低的温度下有效地减缓了这种转变，导致框架外TiO2的数量减少。该优化提高了H2O2的利用率，降低了环氧丙烷的异构化转化率，最终促进了双功能Au-TS-1催化丙烯的氢化氧化。

引用次数: 0

A prediction model for thermal conductivity of supercritical carbon dioxide 超临界二氧化碳热导率的预测模型

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

AIChE Journal

Pub Date : 2025-03-18 DOI: 10.1002/aic.18824

Chenyang Sun, Chaofeng Hou, Wei Ge, Yaning Zhang

Thermal conductivity of supercritical carbon dioxide (scCO₂) plays a pivotal role in designing various industrial and energy devices. However, there is currently no universally accepted theoretical model to accurately describe its thermal conductivity. In this study, based on the thermal conductivity models for gaseous and liquid matters and kinetic theory, we propose a concise model to predict the thermal conductivity of supercritical fluids. This model effectively captures the thermal conductivity behavior of scCO₂, yielding the average absolute relative deviation of approximately 13.7% compared to the experimental data. With higher temperature and pressure, the prediction deviation of the model will be lower. Comparison with the other fluid thermal conductivity models and molecular dynamics (MD) simulation demonstrates that our model outperforms in prediction accuracy. This novel model presents a promising approach for accurately predicting the thermal conductivity of scCO₂.

超临界二氧化碳（scCO2）的热导率在各种工业和能源装置的设计中起着举足轻重的作用。然而，目前还没有普遍接受的理论模型来准确描述其导热性。在此研究中，我们基于气体和液体的导热模型和动力学理论，提出了一个简洁的模型来预测超临界流体的导热系数。该模型有效地捕获了scCO2的导热行为，与实验数据相比，产生的平均绝对相对偏差约为13.7%。温度和压力越高，模型的预测偏差越小。与其他流体导热模型和分子动力学（MD）模拟的比较表明，该模型具有较好的预测精度。该模型为准确预测scCO2的热导率提供了一种很有前途的方法。

引用次数: 0

Cobalt disulfide promotes the selective rearrangement–hydrodeoxygenation of furan alcohols to cyclopentenones 二硫化钴促进呋喃醇选择性重排加氢脱氧生成环戊烯酮

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

AIChE Journal

Pub Date : 2025-03-15 DOI: 10.1002/aic.18819

Miao Ding, Xiang Li, Zhijun Xie, Jun Wang, Junjian Xie, Ji-Jun Zou, Qiang Deng

Developing an efficient catalyst for converting furan alcohols to cyclopentenones for fine chemical synthesis is crucial but challenging due to the easy overhydrogenation side reactions to tetrahydrofuran alcohols and cyclopentanones. This study demonstrates that cobalt disulfide (CoS₂) exhibits an unprecedented yield of 80.1% during rearrangement–hydrodeoxygenation of furan alcohol to cyclopentenone. CoS₂ acts not only as the Lewis acid sites for the rearrangement step but also as adjustable H₂ activation sites for the CC hydrogenation of 4-hydroxy-2-cyclopentenone intermediates, promoting the efficient synthesis of cyclopentenone. Furthermore, it exhibits, for the first time, a similar synthesis route toward 3-methyl cyclopentenone from 5-methyl furan alcohol and 2,5-dihydroxymethyl furan. In addition, we further explored the high-value utilization of cyclopentenones to high-density fuels with densities of 0.904–0.908 g/mL via self-photosensitized [2 + 2] cycloaddition and subsequent hydrodeoxygenation. This study presents the green and efficient synthesis of two cyclopentenones and a way for their high-value utilization as high-density fuels.

开发一种高效催化剂将呋喃醇转化为环戊烯酮用于精细化学合成至关重要，但由于容易发生过氢化副反应生成四氢呋喃醇和环戊烯酮，因此具有挑战性。本研究表明，二硫化钴（CoS2）在将呋喃醇重排-氢脱氧生成环戊烯酮的过程中表现出前所未有的 80.1% 收率。CoS2 不仅是重排步骤的路易斯酸位点，还是 4- 羟基-2-环戊烯酮中间体 CC 氢化过程中可调节的 H2 活化位点，促进了环戊烯酮的高效合成。此外，它还首次展示了从 5-甲基呋喃醇和 2,5-二羟甲基呋喃到 3-甲基环戊烯酮的类似合成路线。此外，我们还通过自光敏[2 + 2]环加成和随后的加氢脱氧进一步探索了环戊烯酮在高密度燃料中的高价值利用，其密度为 0.904-0.908 g/mL。本研究介绍了两种环戊烯酮的绿色高效合成方法，以及将其作为高密度燃料进行高价值利用的途径。

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引用次数: 0

Structured bubbling flow in fluidized beds with oscillating gas injection which alternates with horizontal position 振荡注气与水平位置交替的流化床结构鼓泡流动

IF 3.7 3区工程技术 Q2 ENGINEERING, CHEMICAL

AIChE Journal

Pub Date : 2025-03-14 DOI: 10.1002/aic.18822

Javad Omidi, Christopher M. Boyce

Structured bubbling with a triangular lattice pattern has been demonstrated previously to form in fluidized beds with oscillated gas injection velocity. Here, we demonstrate using two-fluid model simulations that dividing the gas distributor into slices and oscillating gas flow with a phase offset between consecutive slices enables structured bubbling to form with a wider range of bubble sizes and lattice configurations. Local particle solidification below bubbles leads to the formation of these structures, as manifested in high particle pressures in simulations. Varying the number of slices and phase offset enables a number of configurations that mix particles faster than cases with conventional structured bubbling or unstructured bubbling with the same overall gas flow rate.

以前已经证明，在具有振荡气体注入速度的流化床中可以形成具有三角形晶格图案的结构气泡。在这里，我们利用双流体模型模拟证明，将气体分布器分成若干片，并在连续片之间进行相位偏移的气体振荡流动，可以形成具有更广泛气泡尺寸和晶格结构的结构气泡。气泡下方的局部颗粒凝固导致了这些结构的形成，在模拟中表现为高颗粒压力。在气体总流速相同的情况下，通过改变切片数量和相位偏移，可以实现多种配置，与传统的结构气泡或非结构气泡相比，这些配置能更快地混合颗粒。

引用次数: 0

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