Chemical Engineering Research & Design最新文献_第7页

Multiphasic simulation and thermal stress evaluation of an industrial methane reformer in the DRI hydrogen production process 工业甲烷重整器DRI制氢过程多相模拟及热应力评价

IF 3.9 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-12-23 DOI: 10.1016/j.cherd.2025.12.033

Mahmoud Makki Abadi , Mostafa Ghasemi , Hadi Karim Ghasmi , Mohammad Zare , Udayabhaskararao Thumu , Aliakbar Taghipour , Mohammad Saleh Haj Mohammadi

In this study, a comprehensive numerical simulation of an industrial methane-based reformer used in the Direct Reduction of Iron (DRI) process was conducted based on the MIDREX method. The objective was to assess the reformer's thermal, kinetic, and thermodynamic behavior and to investigate flow characteristics, heat transfer, and thermal stress distribution within the catalytic tubes. The reformer contains tubes packed with three catalyst zones—active, semi-active, and inert—through which a feed mixture of natural gas (primarily CH₄), steam (H₂O), and carbon dioxide (CO₂) flows. These species undergo highly endothermic steam and dry reforming reactions, generating a hydrogen-rich reducing gas. The simulation was developed using real industrial data from the Goharzamin DRI plant in Sirjan, Iran, and employed a multiphysics modeling approach coupling chemical kinetics, mass and heat transfer, and solid mechanics. Results revealed that increasing the external wall temperature from 1300 K to 1500 K led to a 12.24 % increase in H₂ and a 5.71 % increase in CO production. Furthermore, increasing the CO₂/CH₄ ratio from 0.80 to 1.25 resulted in an approximate 2.74 % rise in CO output, highlighting the sensitivity of reforming efficiency to feed composition. Increasing the wall temperature was found to intensify these stresses, with stress at the inlet rising from 9 MPa at 1300 K to 12 MPa at 1500 K, and at 2.6 m increasing from 12.5 MPa to 13 MPa. At the critical 5.2 m location, stress grew from 38 MPa at 1300 K to nearly 42 MPa at 1500 K. Also, results indicate that the actual gas composition is well beyond the thermodynamic limit for carbon deposition, confirming that solid carbon (coke) formation is highly unfavorable under these operating conditions.

在本研究中，基于MIDREX方法对用于直接还原铁（DRI）工艺的工业甲烷基重整器进行了全面的数值模拟。目的是评估重整器的热、动力学和热力学行为，并研究催化管内的流动特性、传热和热应力分布。重整器包括装有三个催化剂区的管道——活性区、半活性区和惰性区——天然气（主要是氯化氢）、蒸汽（h2o）和二氧化碳（CO₂）的进料混合物流经这些催化剂区。这些物质经历高度吸热的蒸汽和干重整反应，产生富氢的还原性气体。该模拟使用了伊朗Sirjan Goharzamin DRI工厂的真实工业数据，并采用了多物理场建模方法，将化学动力学、质量和传热以及固体力学相结合。结果表明，将外壁温度从1300 K提高到1500 K，可使H₂增加12.24 %，CO产量增加5.71 %。此外，将CO₂/CH₄比从0.80提高到1.25，CO产量提高了约2.74 %，这突出了重整效率对饲料组成的敏感性。升高壁面温度会加剧这些应力，进口处的应力从1300 K时的9 MPa增加到1500 K时的12 MPa，在2.6 m时从12.5 MPa增加到13 MPa。在临界5.2 m位置，应力从1300 K时的38 MPa增加到1500 K时的近42 MPa。此外，结果表明，实际气体成分远远超出了积碳的热力学极限，证实了在这些操作条件下固体碳（焦炭）的形成是非常不利的。

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引用次数: 0

Particle motion and swirling flow characteristics inside the vortex feeder 涡旋给料机内颗粒运动及旋流特性

IF 3.9 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-12-23 DOI: 10.1016/j.cherd.2025.12.036

Xiang Li , Yan Liu , Yadong Xiao , Tingan Zhang , Kun Wang

Numerical simulation of the particle motion and swirl flow characteristics in a vortex feeder was carried out using a Dense Discrete Phase Model (DDPM). The effects of the geometrical parameters of the feeder were analyzed in terms of particle trajectory, mass flow rate, particle concentration, particle velocity, etc. The results indicate that the particle trajectory, mass flow rate, and escape time increase with the increase of inlet contraction angle (

ɑ

) and cylinder-to-cone ratio (

H cyl : H con

), while pitch (

P

) is the opposite. The radial concentration of

ɑ =

16°,

H cyl = 4 H con

,

P

= 300 mm increased by 3.12, 1.18, and 1.4 times, respectively, and the particle dispersion was enhanced. The variance values of particle mass flow rate were reduced by 33.3 %, 34 %, and 32.7 %, respectively, and the particle output stability was improved. With the increase of

ɑ

and

H cyl : H con

, the tangential velocity increases, and vortex negative pressure entrainment was enhanced. As

P

decreases, the axial velocity near the wall decreases significantly, and the time required for particles to completely escape was prolonged. The correlation equation about particle concentration was established using dimensional analysis. The results improve the sustainable utilization of hot copper slag and the efficiency of melt reduction and reduce the environmental pollution of copper slag stockpiling.

采用密集离散相模型（DDPM）对涡旋给料机内颗粒运动和旋流特性进行了数值模拟。从颗粒轨迹、质量流率、颗粒浓度、颗粒速度等方面分析了给料机几何参数的影响。结果表明：颗粒轨迹、质量流量和逃逸时间随进气道收缩角和柱锥比（Hcyl:Hcon）的增大而增大，而螺距(P)则相反；径向浓度分别增加了3.12倍、1.18倍和1.4倍，且增强了颗粒的分散性。颗粒质量流率方差值分别降低33.3%、34%和32.7%，颗粒输出稳定性得到提高。随着r和Hcyl:Hcon的增大，切向速度增大，旋涡负压夹带增强。AsP降低，壁面附近轴向速度显著降低，颗粒完全逃逸所需时间延长。通过量纲分析，建立了颗粒浓度的相关方程。研究结果提高了热铜渣的可持续利用和熔体还原效率，减少了铜渣堆存对环境的污染。

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引用次数: 0

Experimental study on bubble breaking dynamics in a high-throughput chaotic microreactor: Effect of flow rate and fluid physical properties 高通量混沌微反应器破泡动力学实验研究：流速和流体物性的影响

IF 3.9 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-12-23 DOI: 10.1016/j.cherd.2025.12.037

Hao-Tian Tong , Jia-Ni Zhang , Qi He , Ting-Liang Xie , Shuang-Feng Yin

Chaotic microreactor can prepare small bubbles (especially for microbubbles) at high throughput with excellent controllability to bubble shape and size. However, the dynamics for breakup of bubbles in chaotic microreactor have rarely been investigated. Here, the influences of flow rates (35–90 mL/min), continuous phase viscosity (µ) and interfacial tension (σ) on bubble size, bubble breaking frequency function (

Γ (D)

) and daughter bubble size distribution function (

F_{β} (f_{bv})

) were investigated using oscillating feedback microreactor (OFM) as the reactor representative. The results mainly indicated that: (1) Bubble size was more sensitive to flow rate than µ and σ; (2)

Γ (D)

were jointly determined by flow rate, mother bubble diameter D_m, µ and σ; (3)

F_{β} (f_{bv})

were mainly determined by D_m and σ. In addition, a dimensionless mathematical model for predicting bubble Sauter diameter (d₃₂) was constructed, and the relative error was within ±20 % with mean absolute percentage error of 7.85 %, indicating that the prediction formula can effectively predict the bubble size in OFM.

混沌微反应器可以高通量制备小气泡（特别是微气泡），并且对气泡形状和大小具有良好的可控性。然而，混沌微反应器中气泡破碎的动力学研究却很少。本文以振荡反馈微反应器（OFM）为代表，研究了流速（35 ~ 90 mL/min）、连续相粘度（µ）和界面张力（σ）对气泡尺寸、破泡频率函数（ΓD）和子气泡尺寸分布函数（Fβfbv）的影响。结果表明：(1)气泡尺寸对流量的敏感性大于µ和σ；(2) ΓD由流速、母泡直径Dm、µ、σ共同确定；(3) Fβfbv主要由Dm和σ决定。此外，建立了预测气泡Sauter直径（d32）的无因次数学模型，相对误差在±20%以内，平均绝对百分比误差为7.85%，表明该预测公式可以有效预测OFM中的气泡尺寸。

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引用次数: 0

Fabrication of a copper-doped sulfonated polydopamine/polyurethane sponge photothermal conversion membrane for desalination 海水淡化用掺杂铜磺化聚多巴胺/聚氨酯海绵光热转换膜的制备

IF 3.9 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-12-22 DOI: 10.1016/j.cherd.2025.12.035

Xingyou Liu , Dongmin Yue , De Sun , Ting Meng

Solar-driven interfacial evaporation has emerged as a promising strategy for sustainable and energy-efficient water purification; however, low photothermal conversion efficiency and salt crystallization remain key challenges to overcome. In this study, a high-performance copper-doped sulfonated dopamine/polyurethane (SPDA/PU@Cu²⁺) sponge photothermal conversion membrane was prepared via a simple impregnation method for solar-driven seawater desalination. The sulfonation modification improved the hydrophilicity (WCA=0°) of the membrane which is beneficial to reducing the evaporation enthalpy (1831.03 J·g⁻¹) and increasing the salt resistance; the doping of copper ions enhanced the photothermal conversion performance of the membrane, which increased the temperature of dry membrane to 102.6 °C under 1 sun (1 kW·m⁻²) irradiation. Under the combined action of sulfonation and doping, the SPDA/PU@Cu²⁺ membrane achieves an evaporation rate of 1.856 kg·m⁻²·h⁻¹ and a solar-vapor conversion efficiency of 94.45 %. This research presents a novel approach to developing efficient, reusable solar desalination membrane materials with significant environmental protection and practical application potential.

太阳能驱动的界面蒸发已经成为一种有前途的可持续和节能的水净化策略；然而，低光热转换效率和盐结晶仍然是需要克服的关键挑战。本研究采用简单浸渍法制备了高性能掺铜磺化多巴胺/聚氨酯（SPDA/PU@Cu 2 +）海绵光热转换膜，用于太阳能驱动海水淡化。磺化改性提高了膜的亲水性（WCA=0°），有利于降低蒸发焓（1831.03 J·g⁻¹），提高膜的耐盐性；铜离子的掺杂提高了膜的光热转换性能，在1次太阳（1 kW·m−2）照射下，干膜的温度提高到102.6℃。在磺化和兴奋剂的共同作用下，SPDA/PU@Cu 2 +膜的蒸发速率为1.856 kg·m⁻²·h⁻¹ ，太阳-水蒸气转化效率为94.45 %。本研究为开发高效、可重复使用的太阳能脱盐膜材料提供了一条新的途径，具有重要的环保和实际应用潜力。

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引用次数: 0

Mathematical modeling of binary gas mixture adsorption at low pressures for high-throughput gas laser systems 高通量气体激光系统低压下二元气体混合物吸附的数学建模

IF 3.9 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-12-22 DOI: 10.1016/j.cherd.2025.12.032

Akshayy Garg, Sanjeev Kumar, Gaurav Singhal, Jagannath Nayak

Gas laser systems like COIL (Chemical Oxygen Iodine Laser) operate at low exhaust pressures of 1–20 torr. Such systems require large amounts of gas removal (∼kg/s) for laser power levels of hundreds of kilowatts) at a fast rate from the system. Analytical modeling of high-throughput systems (flow rates in g/s) at low pressures is critical in developing compact adsorption-based vacuum systems. Low-throughput systems (flow rates in μg/s), utilized to provide ultra-low vacuum, where equilibrium conditions are achieved almost instantaneously. High-throughput adsorption beds exhibit a dynamic behavior similar to a lumped mass system due to dynamic change in pump pressure and bed utilization. The article establishes an analytical model for the binary adsorption of gases (nitrogen-oxygen) at low temperatures and pressures for high-throughput adsorption-based vacuum systems, which are dependent on adsorption equilibrium conditions, pump pressure, concentration of species and temperature of bed. Pure species equilibrium model is established with RMSE less than 3.28 % for nitrogen and 8.50 % for oxygen. The binary adsorption equilibrium is modeled using the Ideal Adsorption Solution (Meyer Prausnitz) model. A comprehensive analytical model is developed to model the dynamic behavior of a high-throughput multi-species system. The model incorporates developed equilibrium models and fitting of empirical relation for experimental multi-layer absorptivity adsorption bed. The RMSE is less than 15.76 % from experimental reported data for multi-cycle testing at 0.23 mol/s air flow rate. The dynamic behavior of the scaled-up bed is also investigated for 10 kW COIL operation (1.7 mols/s exhaust gas) for 5 s, predicting an adsorption pressure rise of less than 12 torr in agreement with experimental data.

气体激光系统，如COIL（化学氧碘激光器）在1-20 torr的低排气压力下工作。这样的系统需要大量的气体以快速的速率从系统中去除（~ kg/s），用于数百千瓦的激光功率水平。低压下高通量系统（以g/s为单位的流量）的分析建模对于开发紧凑型吸附真空系统至关重要。低通量系统（流量单位为μg/s），用于提供超低真空，几乎可以立即达到平衡条件。由于泵压力和床层利用率的动态变化，高通量吸附床表现出类似于集总质量系统的动态行为。本文建立了基于高通量吸附的真空系统在低温和低压下气体（氮-氧）二元吸附的解析模型，该模型依赖于吸附平衡条件、泵压力、物质浓度和床层温度。建立了纯物种平衡模型，氮的RMSE小于3.28 %，氧的RMSE小于8.50 %。二元吸附平衡采用理想吸附溶液（Meyer Prausnitz）模型进行建模。建立了一个综合的分析模型来模拟高通量多物种系统的动态行为。该模型结合了已开发的平衡模型和实验多层吸附床的经验关系拟合。在0.23 mol/s空气流速下，多循环测试的RMSE小于15.76 %。在10 kW COIL （1.7 mol /s废气）运行5 s的情况下，对放大床的动态行为进行了研究，预测吸附压力上升小于12 torr，与实验数据一致。

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引用次数: 0

Polymeric nanocapsules loaded with ampicillin using subcritical water-based solvent-antisolvent method 亚临界水基溶剂-抗溶剂法制备氨苄西林聚合物纳米胶囊

IF 3.9 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-12-20 DOI: 10.1016/j.cherd.2025.12.034

Mohsen Najafi, Ali Haghighi Asl, Mohammad Nader Lotfollahi, Maryam Khajenoori

Ampicillin trihydrate-loaded nanocapsules were synthesized and characterized to evaluate their drug delivery, release profile, and potential bioavailability. A green preparation encapsulation technique based on the solvent–anti-solvent method was employed, where subcritical water (100–120 °C) and cold water (0–20 °C) were utilized as the solvent and the anti-solvent, respectively. This environmentally friendly approach facilitated the formation of nanoparticles using polylactic acid as the biodegradable coating polymer. The influence of three key variables including subcritical solvent temperature (100, 110, 120 °C), anti-solvent temperature (0, 10, 20 °C), and polymer weight percent (w/w%) (10 %, 15 %, 20 %), was systematically investigated on the drug loading efficiency and particle size. Findings revealed that nanoparticle size increased with enhancing the polymer w/w% and anti-solvent temperature, but decreased as the solvent temperature was increased. Optimal conditions (120 °C solvent, 0 °C anti-solvent, 10 % polymer) yielded spherical nanoparticles with a mean diameter of 200 nm. These results suggest effective drug encapsulation and controlled release, highlighting the method’s promise for enhanced bioavailability in drug delivery systems.

合成了三水合氨苄西林纳米胶囊，并对其进行了表征，以评估其给药、释放特征和潜在的生物利用度。采用基于溶剂-抗溶剂法的绿色制备包封技术，以亚临界水（100-120℃）和冷水（0-20℃）分别作为溶剂和抗溶剂。这种环境友好的方法促进了纳米颗粒的形成，使用聚乳酸作为可生物降解的涂层聚合物。系统考察了亚临界溶剂温度（100、110、120℃）、抗溶剂温度（0、10、20℃）和聚合物质量百分比（w/w%）（10 %、15 %、20 %）对载药效率和粒径的影响。结果表明，纳米颗粒尺寸随聚合物w/w%和抗溶剂温度的升高而增大，随溶剂温度的升高而减小。最佳条件（120°C溶剂，0°C抗溶剂，10 %聚合物）得到平均直径为200 nm的球形纳米颗粒。这些结果表明有效的药物包封和控释，突出了该方法在药物传递系统中提高生物利用度的前景。

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引用次数: 0

Layer-by-layer coating of silibinin-loaded cochleates with chitosan and alginate for enhanced oral delivery 壳聚糖和海藻酸盐层涂覆水飞蓟宾酸酯以增强口服给药

IF 3.9 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-12-16 DOI: 10.1016/j.cherd.2025.12.029

Nishtha Thakur, Zaher Judeh

The oral bioavailability of silibinin (SLB), a flavonoid from milk thistle, is limited by poor solubility and low gastrointestinal absorption. This study presents an efficient oral delivery system for SLB using lipid-based cochleates coated with chitosan (CH) and sodium alginate (SA) through a layer-by-layer approach. SLB-loaded cochleates were prepared at pH 6.0 and 7.4 with varying lipid-to-SLB ratios and characterized for morphology, encapsulation efficiency, and physicochemical properties. Cochleates at pH 7.4 showed superior encapsulation (99 %) and stability over pH 6.0. Optimized CH/SA coatings enhanced stability, reduced SLB leakage, and enabled controlled release. In-vitro studies showed SA/CH-coated cochleates minimized SLB release in gastric fluid, sustaining it in intestinal conditions. Stability studies confirmed the coatings' protective effect, retaining 97.84 % of SLB after 12 weeks at 4°C. These findings suggest SA/CH-coated cochleates as a promising platform for oral delivery of poorly soluble bioactives like SLB.

水飞蓟宾（SLB）是一种从水飞蓟中提取的类黄酮，它的口服生物利用度受溶解度差和胃肠道吸收低的限制。本研究采用壳聚糖（CH）和海藻酸钠（SA）包覆脂基耳蜗酸酯，通过逐层给药的方法，建立了一种高效的口服SLB给药系统。在pH 6.0和7.4条件下制备了负载slb的蜗状体，其脂质与slb的比例不同，并对其形态、包封效率和理化性质进行了表征。在pH 7.4时，Cochleates表现出良好的包封性（99% %），在pH 6.0时表现出稳定性。优化后的CH/SA涂层增强了稳定性，减少了SLB泄漏，并实现了可控释放。体外研究表明，SA/ ch包被的耳蜗可减少胃液中SLB的释放，在肠道条件下维持其释放。稳定性研究证实了涂层的保护作用，在4°C下加热12周后，涂层保留了97.84 %的SLB。这些研究结果表明，SA/ ch包被的耳蜗酸盐是口服递送SLB等难溶性生物活性物质的有希望的平台。

引用次数: 0

Porous liquid ZIF-67-integrated PDMS mixed matrix membranes for efficient bioethanol dehydration 多孔液体zif -67集成PDMS混合基质膜高效生物乙醇脱水

IF 3.9 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-12-16 DOI: 10.1016/j.cherd.2025.12.031

Hira Naveed , Asim Laeeq Khan , Muhammad Yasin , Mazhar Amjad Gilani , Babar Saeed , Muhammad Usman , Muhammad Aslam , Aftab Ahmad Khan , Hamad AlMohamadi , Faisal O. Mahroogi

Energy efficient dehydration of fermentation broths is a critical bottleneck in bioethanol production, where conventional distillation imposes a high thermal and carbon penalty. Pervaporation using polymer–inorganic hybrid membranes offers a promising low-energy alternative, provided that membrane exhibits both high flux and selectivity to alcohols. Here, we demonstrate that incorporating a porous liquid (PL) form of ZIF-67 into polydimethylsiloxane (PDMS) mixed matrix membranes (MMMs) enables simultaneously high flux and selectivity for ethanol dehydration via pervaporation. ZIF-67 crystals were first synthesized and then converted into a Type-3 porous liquid through N-heterocyclic carbene functionalization and dispersion in mesitylene, yielding a flowable, solution-processable MOF phase. This PL was incorporated into PDMS at loadings up to 40 wt% without aggregation or interfacial defects, overcoming the dispersion and compatibility limitations typically observed with solid MOF fillers. Pervaporation tests using a 6 wt% ethanol/water feed showed that the 40 wt% ZIF-67-PL membrane achieved a total flux of 3.5 kg·m⁻²·h⁻¹ and a separation factor of 19.8 at 65 °C, corresponding to approximately a 170 % increase in flux and a 205 % enhancement in separation factor compared to pristine PDMS. Benchmarking against state-of-the-art PDMS-based MMMs highlights ZIF-67-PL/PDMS membranes as a high-performance, scalable platform for bioethanol dehydration and, more broadly, for next-generation porous-liquid-enabled separations.

高效脱水的发酵液是生物乙醇生产的一个关键瓶颈，其中传统蒸馏施加了高热和碳惩罚。聚合物-无机杂化膜的渗透汽化是一种很有前途的低能量替代方法，前提是膜对醇具有高通量和选择性。在这里，我们证明了将多孔液体（PL）形式的ZIF-67结合到聚二甲基硅氧烷（PDMS）混合基质膜（MMMs）中，可以同时通过渗透蒸发实现乙醇脱水的高通量和选择性。首先合成了ZIF-67晶体，然后通过n-杂环碳烷的功能化和在亚三甲苯中的分散转化为3型多孔液体，得到了可流动、可溶液加工的MOF相。该PL被加入到PDMS中，负载高达40 wt%，没有聚集或界面缺陷，克服了通常在固体MOF填料中观察到的分散和相容性限制。使用6 wt%乙醇/水的渗透汽化试验表明，40 wt%的ZIF-67-PL膜的总通量为3.5 kg·m⁻²·h⁻¹ ，在65°C时的分离系数为19.8，与原始PDMS相比，通量增加了约170 %，分离系数增加了205 %。ZIF-67-PL/PDMS膜是一种高性能、可扩展的生物乙醇脱水平台，更广泛地说，可用于下一代多孔液体分离。

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引用次数: 0

Modelling and optimization of vacuum pressure swing adsorption CO2 capture pilot using MIL-160(Al) MIL-160（Al）真空变压吸附CO2捕集中试装置的建模与优化

IF 3.9 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-12-16 DOI: 10.1016/j.cherd.2025.12.030

A. Henrotin, N. Heymans, M.-E. Duprez, G. De Weireld

Global warming, driven by increasing CO₂ emissions from fossil fuel combustion, necessitates the development of effective carbon capture technologies. Among various approaches, Vacuum Pressure Swing Adsorption (VPSA) offers an energy-efficient solution for post-combustion CO₂ capture, especially in power plants and energy-intensive industries. This work focuses on validating a simulation model using a laboratory VPSA pilot with the Aluminum Metal-Organic Framework (Al-MOF) MIL-160(Al) and optimizing both lab-scale and industrial-scale VPSA pilots through simulation. Process modeling in Aspen Adsorption software simulated a 3-bed 6-step cycle using parameters from experimental adsorption isotherms and breakthrough curves. The simulation model was compared to previous lab-scale VPSA pilot experiments treating a synthetic 15/85 CO₂/N₂ mixture at 1 Nm³ /h, showing mean absolute errors of 1.47 % for purity and 3.19 % for recovery. Surrogate models, including kriging and artificial neural networks (ANN), were used to optimize recovery and purity of the lab-scale pilot using the Non-dominated Sorting Genetic Algorithm-II (NSGA-II). The ANN model proved more accurate, especially in determining pareto fronts. The model was extended to an industrial VPSA pilot as part of the MOF4AIR project, designed to treat flue gas of 50–100 Nm³ /h with three 41 L adsorption columns. Simulations showed that the pilot could achieve 95 % purity and recovery for CO₂ concentrations ranging from 5 % to 15 %. The estimated energy consumption and productivity for 15 % CO₂ gas were 413.19 kWh/tCO₂ and 3.03 tCO₂/(m³ads.day) at a gas flow rate of 55.62 Nm³ /h, demonstrating the technology's potential and competitiveness on a larger scale.

由于化石燃料燃烧产生的二氧化碳排放量增加，全球变暖要求开发有效的碳捕获技术。在各种方法中，真空变压吸附（VPSA）为燃烧后的二氧化碳捕获提供了一种节能的解决方案，特别是在发电厂和能源密集型行业。这项工作的重点是使用铝金属有机框架（Al- mof） MIL-160（Al）验证实验室VPSA试点的模拟模型，并通过模拟优化实验室规模和工业规模的VPSA试点。Aspen吸附软件中的过程建模利用实验吸附等温线和突破曲线的参数模拟了3层6步循环。模拟模型与先前实验室规模的VPSA中试实验进行了比较，以1 Nm³ /h处理合成15/85 CO2/N2混合物，纯度的平均绝对误差为1.47 %，回收率的平均绝对误差为3.19 %。采用非支配排序遗传算法- ii (NSGA-II)，采用kriging和人工神经网络（ANN）等替代模型优化实验室规模中试的回收率和纯度。人工神经网络模型被证明更准确，特别是在确定帕累托前沿方面。作为MOF4AIR项目的一部分，该模型已扩展到工业VPSA试点，旨在使用三个41 L吸附塔处理50-100 Nm³ /h的烟气。模拟结果表明，该中试装置可以达到95% %的纯度和回收率，CO2浓度范围为5 %至15 %。15% % CO2气体的估计能耗和生产率分别为413.19 kWh/tCO2和3.03 tCO2/（m³ads）。天)，气体流速为55.62 Nm³ /h，证明了该技术在更大规模上的潜力和竞争力。

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引用次数: 0

Process modelling and analysis of ikaite production for atmospheric CO2 removal through ocean alkalinity enhancement 通过提高海洋碱度去除大气CO2的艾克煤生产过程模拟与分析

IF 3.9 3区工程技术 Q2 ENGINEERING, CHEMICAL

Chemical Engineering Research & Design

Pub Date : 2025-12-13 DOI: 10.1016/j.cherd.2025.12.028

Xuesong Lu , Rachel Millar , Pranav Toutam , Aidong Yang , Spyros Foteinis , Laura Bastianini , Phil Renforth , Stefan Baltruschat , Jens Hartmann

The production of ikaite, a metastable calcium carbonate hydrate, offers a promising pathway for atmospheric CO₂ removal through ocean alkalinity enhancement. This study explores the feasibility of ikaite production through a three-step process, involving calcite (CaCO₃) dissolution under elevated CO₂ pressure, CO₂ degassing from the calcium carbonate rich solution, and subsequent crystallisation. Here, a mathematical model was developed and validated against experimental data, and the effect of key operational parameters was examined. The calcite loading/dosage, particle size and CO₂ pressure for dissolution, seed loading and particle size for crystallisation, and degassing pressure as critical factors have significant impact on process efficiencies. Under optimal conditions, involving CO₂ pressures of 2 bar for dissolution, 0.01 bar for degassing, and 0.001 bar for crystallisation, with seed loading of 5 kg/m³ and seed particle sizes of 3 μm, the process achieved steady state ikaite production of 1.64 kg/m³ from a calcite feed of 0.83 kg/m³ . This investigation demonstrates the technical viability of ikaite production through CO₂ pressure swing and informs its future development as a potential contributor to climate change mitigation.

钙钛矿是一种亚稳定的碳酸钙水合物，它的产生为通过增强海洋碱度来去除大气中的二氧化碳提供了一条有前途的途径。本研究探索了通过三步工艺生产钙钛矿的可行性，包括在升高的CO2压力下溶解方解石（CaCO3），从富含碳酸钙的溶液中脱气CO2，然后结晶。在此基础上，建立了数学模型，并对实验数据进行了验证，考察了关键操作参数的影响。方解石的装载量/用量、用于溶解的颗粒大小和CO2压力、用于结晶的种子装载量和颗粒大小以及脱气压力是影响工艺效率的关键因素。在最优条件下,包括二氧化碳的压力2 酒吧解散,0.01 酒吧脱气,和0.001 酒吧结晶,种子装入5 公斤/ m³ 和种子粒径3μm, 1.64的生产过程达到稳态ikaite 公斤/ m³ 从方解石 0.83公斤饲料/ m³ 。这项调查证明了通过二氧化碳压力变化生产煤的技术可行性，并为其作为减缓气候变化的潜在贡献者的未来发展提供了信息。

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