Chemical Engineering and Processing - Process Intensification最新文献_第5页

Process intensification of multistage freeze desalination for high-salinity brines utilizing LNG cryogenic energy: Advancing the water-energy nexus 利用LNG低温能强化高盐度盐水多级冷冻脱盐工艺：推进水能联系

IF 3.9 3区工程技术 Q3 ENERGY & FUELS

Chemical Engineering and Processing - Process Intensification

Pub Date : 2025-12-24 DOI: 10.1016/j.cep.2025.110677

Parul Sahu , Rutvi Khakhar , Bhargav B. Joshi , Hemali Masani

Water and energy are interlinked resources vital to development. As desalination grows to meet water demand, energy-efficient methods lag. This research explores a process-intensified freezing-based desalination of high-salinity brines, utilizing cryogenic energy from regasification of liquefied natural gas to enhance efficiency and sustainability. Experimental studies were performed using a jacketed cylindrical crystallizer to investigate the impact of brine salinity (3–10 wt% total dissolved solids) on ice formation, water recovery, and product quality. These findings, combined with analysis of liquefied natural gas regasification processes and thermo-physical properties, informed the design of a multi-stage freeze desalination system. The intrinsic cold energy of liquefied natural gas is repurposed for brine cooling and ice crystallization, thereby eliminating the need for conventional refrigeration systems and enhancing overall energy efficiency. A case study was conducted to desalinate a 5 wt% feed brine using a three-stage freeze desalination system integrated with liquefied natural gas cryogenic energy. Material and energy balances confirmed that the available refrigeration load in liquefied natural gas is sufficient to drive freeze desalination. An overall product water recovery of 50% and a desalination efficiency of 96% were achieved, corresponding to the recovery of 0.4 tons of product water per ton of regasified liquefied natural gas. The integration of cryogenic energy of liquefied natural gas into the desalination workflow exemplifies process intensification by enabling energy-efficient treatment of hypersaline waste streams through synergistic energy recovery and system integration.

水和能源是相互关联的资源，对发展至关重要。随着海水淡化的发展以满足用水需求，节能方法却落后了。本研究探索了一种基于过程强化冷冻的高盐度盐水脱盐方法，利用液化天然气再气化产生的低温能量来提高效率和可持续性。实验研究使用夹套圆柱结晶器进行，以研究盐水盐度（3-10 wt%的总溶解固体）对冰形成、水回收和产品质量的影响。这些发现，结合液化天然气再气化过程和热物理特性的分析，为多级冷冻脱盐系统的设计提供了依据。液化天然气固有的冷能量被重新用于盐水冷却和冰结晶，从而消除了对传统制冷系统的需求，提高了整体能源效率。采用与液化天然气低温能源相结合的三级冷冻脱盐系统对5 wt%的饲料盐水进行了脱盐研究。材料和能量平衡证实，液化天然气中可用的制冷负荷足以推动冷冻脱盐。总体产品水回收率为50%，脱盐效率为96%，相当于每吨再气化液化天然气回收0.4吨产品水。将液化天然气的低温能整合到海水淡化工作流程中，通过协同能量回收和系统集成实现高盐废物流的节能处理，从而体现了过程强化。

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引用次数: 0

High-frequency ultrasound separation of crude-oil-in-water microemulsions 水包原油微乳的高频超声分离

IF 3.9 3区工程技术 Q3 ENERGY & FUELS

Chemical Engineering and Processing - Process Intensification

Pub Date : 2025-12-24 DOI: 10.1016/j.cep.2025.110676

Carlos Mario Giraldo Atehortua , Agesinaldo Matos Silva Jr. , Luiz Octávio Vieira Pereira , José Henrique Lopes , Flávio Buiochi , Marcos Sales Guerra Tsuzuki

High-frequency ultrasound for separating crude-oil-in-water microemulsions-typical of oily wastewater from oil production—remains underexplored. We investigate 1 MHz standing-wave treatment using two resonant chambers (no-flow and flow), each with automatic resonance control. The acoustic radiation force promotes droplet migration, collisions, and coalescence, enhancing oil–water disengagement without chemical additives. Experiments varied input power and sonication time to assess separation performance for synthetic microemulsions with low oil content. In the no-flow regime,

70

% oil removal was achieved after 2 min at 40 W, versus 3.6% for a non-acoustic reference. In the flow regime (100 cm

^{3}

min⁻¹), 30 min at 80 W yielded nearly 66% removal, compared with 28% for the reference. These results demonstrate that MHz-range standing waves can deliver rapid, additive-free phase separation in compact equipment. The approach offers a promising complementary step for oily wastewater treatment, enabling reduced chemical demand, shortened residence times, and modular process integration.

用于分离水包原油微乳液的高频超声技术（石油生产中含油废水的典型特征）仍未得到充分开发。我们使用两个共振腔（无流和有流）研究1 MHz驻波处理，每个谐振腔都有自动谐振控制。声辐射力促进液滴迁移、碰撞和聚并，在没有化学添加剂的情况下增强油水分离。实验通过改变输入功率和超声时间来评价低含油量合成微乳的分离性能。在无流工况下，在40 W条件下，2分钟后除油率达到70%，而在无声学条件下，这一比例为3.6%。在流量（100 cm3 min - 1）下，80 W下30分钟的去除率接近66%，而参考值为28%。这些结果表明，mhz范围的驻波可以在紧凑型设备中实现快速、无添加剂的相分离。该方法为含油废水处理提供了一个有希望的补充步骤，可以减少化学品需求，缩短停留时间，并实现模块化过程集成。

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引用次数: 0

Optimal design and performance comparison of reaction-coupled extractive distillation processes for acetonitrile-tert-butanol-water system 乙腈-叔丁醇-水体系反应耦合萃取精馏工艺优化设计及性能比较

IF 3.9 3区工程技术 Q3 ENERGY & FUELS

Chemical Engineering and Processing - Process Intensification

Pub Date : 2025-12-23 DOI: 10.1016/j.cep.2025.110669

Zhishan Zhang, Kunao Zhu, Siyuan Li, Yuqing Meng, Min Li, Yixin Ma, Jun Gao

In the chemical and pharmaceutical industries, a large amount of wastewater containing acetonitrile (ACN) and tert‑butanol (TBA) is generated. The effective separation of the ACN/TBA/water system poses a significant challenge due to the presence of multiple azeotropes. To overcome the limitations of high energy consumption and low efficiency of conventional extractive distillation (CED), this study proposes three reaction-coupled extractive distillation processes—reactive distillation followed by extractive distillation (RD-ED), extractive distillation followed by reactive distillation (ED-RD), and reactive-extractive distillation (RED). During the process optimization aimed at the total annual cost (TAC) and CO₂ emissions, since the azeotropes of ACN/water and ACN/TBA are pressure-sensitive, the pressure of ACN extractive distillation column is optimized, resulting in significant energy savings. These processes are comprehensively compared in terms of economy, environmental impact, energy, and exergy efficiency. The results indicate that compared with the CED, the reaction-coupled extractive distillation processes have achieved significant optimization effects in multiple aspects. Among them, the RED process exhibits the optimal comprehensive performance: the TAC is reduced by 33.82 %, CO₂ emissions are decreased by 40.44 %, the total energy consumption is lowered by 41.55 %, and the thermodynamic efficiency is increased to 27.93 %.

在化学和制药工业中，会产生大量含有乙腈（ACN）和叔丁醇（TBA）的废水。由于存在多种共沸物，ACN/TBA/水体系的有效分离提出了重大挑战。为克服传统萃取精馏（CED）高能耗、低效率的局限性，提出了反应耦合萃取精馏（RD-ED）、萃取精馏后反应精馏（ED-RD）和反应萃取精馏（RED）三种工艺流程。在以年总成本（TAC）和CO2排放为目标的工艺优化过程中，由于ACN/水和ACN/TBA的共沸物对压力敏感，因此对ACN萃取精馏塔的压力进行了优化，节能效果显著。这些过程在经济、环境影响、能源和能源效率方面进行了全面比较。结果表明，与CED相比，反应耦合萃取精馏工艺在多个方面都取得了显著的优化效果。其中，RED工艺综合性能最优，TAC降低33.82%，CO2排放量降低40.44%，总能耗降低41.55%，热效率提高27.93%。

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引用次数: 0

Application of secondary flow and Bézier curve-polygon micromixing structure in Christmas tree-shaped concentration gradient chips 二次流与bsamzier曲线-多边形微混合结构在圣诞树形浓度梯度芯片中的应用

IF 3.9 3区工程技术 Q3 ENERGY & FUELS

Chemical Engineering and Processing - Process Intensification

Pub Date : 2025-12-22 DOI: 10.1016/j.cep.2025.110668

Zhiying Dai, Huanhuan Shi, Weizheng Xu, Xuanhao Jia, Zhengxian Dan, Jiacong Liao, Chenyang Xu

Concentration gradient chip is indispensable in drug screening, efficacy evaluation, and related biomedical research. However, the traditional Christmas tree-shaped concentration gradient chip has inherent limitations. Its laminar flow mixing efficiency is low, and the operating flow rate range is narrow, which seriously hinders its application and development in drug screening. To address these technical bottlenecks, this study proposes two novel micromixers: a micromixer based on two-dimensional secondary flow and three-dimensional rectangular structure (TSTR-S), and a micromixer based on Bézier curves and three-dimensional polygonal structure (BCTP-S). These micromixers are used to replace the micromixing channels in the traditional Christmas tree model. The research adopts a method of theoretical modeling, numerical simulation to systematically explore the impact of the novel structures on concentration gradient generation. The results show that compared with the traditional structure, the two-dimensional secondary flow structure significantly improves the laminar flow mixing efficiency and effectively broadens the applicable flow rate range. The optimized Bézier curve configuration and irregular polygonal three-dimensional structure further enhance the fluid eddy effect and improve the mixing performance. The improved chip can stably generate a linear concentration gradient within a wide flow rate range of Reynolds number Re = 0.1–30, and the concentration error is obviously reduced. This study provides an innovative solution for improving the performance of concentration gradient chips, offers a more accurate and efficient platform for drug screening, and benefits the development of microfluidic technology in drug research and development.

浓度梯度芯片在药物筛选、疗效评价及相关生物医学研究中是不可或缺的。然而，传统的圣诞树形浓度梯度芯片存在固有的局限性。其层流混合效率低，操作流速范围窄，严重阻碍了其在药物筛选中的应用和发展。为了解决这些技术瓶颈，本研究提出了两种新型微混合器：基于二维二次流和三维矩形结构的微混合器（TSTR-S）和基于bsamzier曲线和三维多边形结构的微混合器（BCTP-S）。这些微混频器用于取代传统圣诞树模型中的微混频器通道。本研究采用理论建模、数值模拟相结合的方法，系统探讨了新型结构对浓度梯度产生的影响。结果表明，与传统结构相比，二维二次流结构显著提高了层流混合效率，有效拓宽了适用流量范围。优化后的bsamzier曲线构型和不规则多边形三维结构进一步增强了流体涡流效应，提高了混合性能。改进后的芯片能在雷诺数Re = 0.1 ~ 30的宽流量范围内稳定产生线性浓度梯度，浓度误差明显减小。本研究为提高浓度梯度芯片的性能提供了创新的解决方案，为药物筛选提供了更准确、高效的平台，有利于微流控技术在药物研发中的发展。

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引用次数: 0

Experimental and kinetic study of the microwave-assisted catalytic conversion of glucose 微波催化葡萄糖转化的实验与动力学研究

IF 3.9 3区工程技术 Q3 ENERGY & FUELS

Chemical Engineering and Processing - Process Intensification

Pub Date : 2025-12-22 DOI: 10.1016/j.cep.2025.110667

Syed Ejaz Haider , Joseph Install , Miia Kokkonen , Timo Repo , Ville Alopaeus

Microwave technology offers rapid, selective, and efficient heating, making it a valuable tool for process intensification. In this context, this study employed microwave energy for rapid reaction optimization and reliable kinetic analysis for the catalytic conversion of glucose. Dehydration (DeH) and retro-aldol condensation (RAC) are two main routes for the catalytic conversion of glucose into valuable platform chemicals such as levulinic acid, methyl lactate, and other byproducts. Both DeH and RAC reactions were analyzed together in this study, taking into account their competitive nature. The experimental investigation focused on examining the effects of solvent composition (0–100 % H₂O with methanol as cosolvent), reaction temperature (140–180 °C), and catalyst-to-feed molar ratios (0.05–0.21) on the parallel Deh (HMF, levulinic acid, and methyl levulinate) and RAC (lactic acid and methyl lactate) reactions with the modern automated Chemspeed Swing synthesis apparatus equipped with a Biotage microwave reactor. The homogeneous Lewis acid (SnCl₄·5H₂O) was selected as a catalyst through our initial screening due to its activity for both DeH and RAC reactions. The experiments, conducted for 15 min under microwave irradiation, revealed that the highest yield of levulinic acid (50.5 mol %) was achieved in pure water at 180 °C, while the highest yield of methyl lactate (75.9 mol%) was obtained in a solvent mixture comprising 7.5 % water and 92.5 % methanol at 180 °C. Subsequently, rate models based on the power law kinetics were proposed, and the numerical values of the model parameters were determined from the screening experimental data using non-linear regression analysis with Aspen Plus software. These model parameters were further fine-tuned with additional time-resolved experiments performed under the optimal conditions identified for levulinic acid and methyl lactate. The model responses were in very good agreement with the experimental results. The rate equations with the kinetic parameters can be used for the reactor modeling, simulation, and optimization.

微波技术提供了快速、选择性和高效的加热，使其成为过程强化的宝贵工具。在此背景下，本研究利用微波能量对葡萄糖的催化转化进行了快速反应优化和可靠的动力学分析。脱水（DeH）和反醛醇缩合（RAC）是葡萄糖催化转化为有价值的平台化学品（如乙酰丙酸、乳酸甲酯和其他副产物）的两种主要途径。考虑到DeH和RAC反应的竞争性质，本研究将它们一起进行分析。实验主要研究了溶剂组成（0 ~ 100% H2O，甲醇为助溶剂）、反应温度（140 ~ 180℃）和催化剂与料料的摩尔比（0.05 ~ 0.21）对Deh （HMF、乙酰丙酸和乙酰丙酸甲酯）和RAC（乳酸和乳酸甲酯）平行反应的影响。通过初步筛选，我们选择了均相Lewis酸（SnCl4·5H2O）作为催化剂，因为它具有DeH和RAC反应的活性。实验结果表明，在180°C的纯水条件下，乙酰丙酸的收率最高（50.5 mol%），而在180°C由7.5%水和92.5%甲醇组成的溶剂混合物中，乳酸甲酯的收率最高（75.9 mol%）。随后，建立了基于幂律动力学的速率模型，利用Aspen Plus软件对筛选实验数据进行非线性回归分析，确定了模型参数的数值。在乙酰丙酸和乳酸甲酯确定的最佳条件下进行额外的时间分辨实验，进一步微调这些模型参数。模型响应与实验结果吻合较好。带动力学参数的速率方程可用于反应器的建模、仿真和优化。

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引用次数: 0

Effect of insoluble particles as nucleation cores on the condensation flow of water vapor in a supersonic separator 不溶性颗粒作为成核核对超声速分离器中水蒸气凝结流动的影响

IF 3.9 3区工程技术 Q3 ENERGY & FUELS

Chemical Engineering and Processing - Process Intensification

Pub Date : 2025-12-20 DOI: 10.1016/j.cep.2025.110666

Weiwei Xu, Shengxiao Li, Xinyu Wang, Fuhao Wang, Bingyang Peng

Supersonic separators, which utilize pressure energy to remove water vapor from natural gas, are characterized by their high efficiency and energy-efficient operation. However, the existing analysis of the condensation flow in it fails to fully consider the influence of the surface properties of the impurity particles. This study develops a two-fluid simulation framework that incorporates particle surface energy. The framework is used to evaluate how particle parameters affect condensation performance and pressure drop. The results show that particle surface wettability, radius and concentration have significant effects on the condensation and pressure loss. A 37.32% enhancement in liquid content at the discharge port was observed when the particle contact angle was reduced. The influence of particle contact angle on condensation varies with particle size and concentration: smaller radii amplify its impact, whereas lower particle counts enhance its significance. A dimensionless number, the coefficient of condensation pressure loss γ_c, is proposed to characterize the magnitude of pressure loss due to condensation. The analysis shows that γ_c increases with the increase of contact angle, and that γ_c decreases by 32.46% when N_p decreases from 1 × 10¹⁷ /m³ to 1 × 10¹⁴ /m3; by 24.72% when r_p decreases from 1 × 10^–9 m to 1 × 10^–7 m.

超声速分离器利用压力能从天然气中去除水蒸气，具有效率高、运行节能的特点。然而，现有的对其中冷凝流动的分析没有充分考虑杂质颗粒表面性质的影响。本研究开发了一个包含粒子表面能的双流体模拟框架。该框架用于评估颗粒参数对冷凝性能和压降的影响。结果表明，颗粒表面润湿性、颗粒半径和颗粒浓度对冷凝和压力损失有显著影响。当颗粒接触角减小时，出料口液体含量增加了37.32%。颗粒接触角对凝结的影响随粒径和浓度的变化而变化，半径越小影响越大，颗粒数越少影响越大。提出了一个无量纲数，即冷凝压力损失系数γ - c，来表征冷凝压力损失的大小。分析表明，γ - c随接触角的增大而增大，当Np从1 × 1017 /m3减小到1 × 1014 /m3时，γ - c降低32.46%；当rp从1 × 10-9 m减小到1 × 10-7 m时，降低24.72%。

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引用次数: 0

One-step microfluidic synthesis of active nanostructured Pt/C electrocatalyst for oxygen reduction reaction 一步微流控合成氧还原活性纳米结构Pt/C电催化剂

IF 3.9 3区工程技术 Q3 ENERGY & FUELS

Chemical Engineering and Processing - Process Intensification

Pub Date : 2025-12-19 DOI: 10.1016/j.cep.2025.110665

I.O. Nechitailova , Yu.A. Pankova , M.E.A. Eid , D.Yu. Molodtsov , A.A. Tereshchenko , I.V. Pankov , A.V. Soldatov , A.A. Guda , A.A. Alekseenko , A.D. Zagrebaev

Carbon-supported platinum nanoparticles are highly efficient catalysts for oxygen reduction reaction in proton exchange membrane fuel cells (PEMFCs), yet their conventional synthesis suffers from batch-to-batch variability and scalability limitations. In this work we develop an environmentally friendly and simple microfluidic synthesis of Pt nanoparticles and their deposition on a carbon support during the growth inside a flow reactor. A stable flow was achieved in segmented gas/liquid regime using a pressurized reactor, and ultrasonic treatment was applied to prevent the sedimentation of the carbon particles in the droplet generator. Pt reduction in ethylene glycol in microfluidic conditions results in the formation of nanoparticles with a narrow size distribution (3 ± 1.1 nm) on the surface of carbon for elevated reaction temperatures 115–125 °C. The obtained materials demonstrate electrochemical performance comparable to that of the commercial Pt/C catalyst and surpass it in terms of stability. This work establishes microfluidic process intensification as a scalable, continuous alternative to batch synthesis of nanostructured materials on Pt-based for hydrogen energy.

碳载铂纳米颗粒是质子交换膜燃料电池（pemfc）中氧还原反应的高效催化剂，但其传统合成方法存在批量差异和可扩展性限制。在这项工作中，我们开发了一种环境友好和简单的微流控合成Pt纳米颗粒，并在流动反应器内生长期间将其沉积在碳载体上。采用加压反应器实现了气/液分段流态的稳定流动，并采用超声波处理防止了碳颗粒在液滴发生器中的沉降。在微流控条件下，乙二醇还原铂，在115-125℃的反应温度下，在碳表面形成了尺寸分布窄（3±1.1 nm）的纳米颗粒。所得材料的电化学性能与商业Pt/C催化剂相当，在稳定性方面超过了它。这项工作建立了微流控过程强化作为一种可扩展的、连续的替代在pt基上批量合成纳米结构材料的氢能源。

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引用次数: 0

Optimization and experimental study on uniform distributor in powder metallurgy process 粉末冶金均匀布料器的优化与试验研究

IF 3.9 3区工程技术 Q3 ENERGY & FUELS

Chemical Engineering and Processing - Process Intensification

Pub Date : 2025-12-18 DOI: 10.1016/j.cep.2025.110664

Ge Zhang, Fuyong Su, Yumeng Li, Lixuan Cao, Jun Chen

In some small-scale powder metallurgy scenarios, uneven powder distribution during discharging due to the lack of a distributor affects the density and uniformity of green compacts in subsequent pressing, thereby impacting product quality and performance. To address this issue, a non-powered distributor with a two-stage distributor was designed. The influence of structural parameters on distribution uniformity was investigated by improving the distributor structure and establishing a discrete element simulation model, using material surface accumulation, particle diameter distribution, and porosity as evaluation indicators. The improvement effect of the distributor on powder distribution uniformity was verified by comparing working conditions with and without the distributor. Results indicated that adding the distributor effectively improved uneven particle diameter distribution, with optimal uniformity achieved when the sliding arm inclination angle was 20° To further verify applicability, the 30° distributor, 25° distributor and 20° distributor were used to conduct distribution experiments. Compared with the condition without a distributor, the 20° distributor improved powder distribution uniformity by 33.33%, resulting in more uniform spatial distribution of particle diameters and stress in the mixture.

在一些小型粉末冶金场景中，由于没有分配器，出料时粉末分布不均匀，影响后续压坯的密度和均匀性，从而影响产品的质量和性能。为了解决这个问题，设计了一种带两级分配器的无动力分配器。通过改进分布器结构，建立离散元模拟模型，以物料表面堆积、粒径分布、孔隙率为评价指标，研究结构参数对分布均匀性的影响。通过比较有无分布器的工况，验证了分布器对粉末分布均匀性的改善作用。结果表明，增加分布器可以有效改善颗粒直径分布不均匀的情况，当滑动臂倾角为20°时，颗粒直径分布最均匀。为进一步验证其适用性，分别采用30°分布器、25°分布器和20°分布器进行了分布实验。与无分布器相比，20°分布器使粉末分布均匀性提高了33.33%，使混合物中颗粒直径和应力的空间分布更加均匀。

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引用次数: 0

An integrated RSM–NSGA-II approach for optimizing bioethanol production from sago pith waste via supercritical water hydrolysis: An energy, economic, and environmental perspective 综合RSM-NSGA-II方法通过超临界水水解优化西米髓废物生产生物乙醇：能源，经济和环境的角度

IF 3.9 3区工程技术 Q3 ENERGY & FUELS

Chemical Engineering and Processing - Process Intensification

Pub Date : 2025-12-17 DOI: 10.1016/j.cep.2025.110660

Saravana Kannan Thangavelu , Ping Ping Chung , Muhammad Rafiq Mirza Bin Julaihi , Kumar Perumal , Abu Saleh Ahmed

This study presents an integrated approach combining Response Surface Methodology (RSM) and the Non-dominated Sorting Genetic Algorithm II (NSGA-II) to optimize bioethanol production from sago pith waste (SPW) via supercritical water hydrolysis (SCWH). A Box–Behnken design evaluated the influence of temperature (360–400 °C), reaction time (10–20 min), and biomass loading (5–10% w/v) on sugar and ethanol yields. The quadratic RSM models for sugar and ethanol yield showed high accuracy (R² = 0.9764 and 0.9642, respectively) with significant model terms (p < 0.0001). Optimal SCWH conditions (380 °C, 12 min, 8% SPW) resulted in a sugar yield of 71.2 g/100 g SPW and ethanol concentration of 31.2 g/L, achieving 86.3% fermentation efficiency with minimal inhibitor formation (3.96 g/L). NSGA-II enabled multi-objective optimization considering ethanol yield, energy consumption, and severity factor (log Ro ≈ 4.34), identifying energy-efficient conditions (3.82 kWh/kg ethanol). Techno-economic analysis estimated a production cost of ∼$0.83/L ethanol with 12–30% profit margin. Green metrics indicated moderate sustainability with an E-factor of 8.06 and GHG emissions of ∼1.7 kg CO₂-eq/kg ethanol. The integrated RSM–NSGA-II framework demonstrates a scalable and eco-efficient pathway for valorizing SPW into renewable bioethanol.

本研究采用响应面法（RSM）和非支配排序遗传算法（NSGA-II）相结合的方法，优化超临界水水解西米树皮废弃物（SPW）生产生物乙醇的工艺。Box-Behnken设计评估了温度（360-400°C）、反应时间（10-20 min）和生物质负荷（5-10% w/v）对糖和乙醇产量的影响。糖和乙醇产量的二次RSM模型具有较高的准确性（R2分别= 0.9764和0.9642），模型项显著（p < 0.0001）。最佳SCWH条件（380°C, 12 min, 8% SPW）的产糖率为71.2 g/100 g SPW，乙醇浓度为31.2 g/L，以最小的抑制剂形成（3.96 g/L）达到86.3%的发酵效率。NSGA-II实现了考虑乙醇产率、能耗和严重程度因子（log Ro≈4.34）的多目标优化，确定了节能条件（3.82 kWh/kg乙醇）。技术经济分析估计，每升乙醇的生产成本为0.83美元，利润率为12-30%。绿色指标显示适度的可持续性，e因子为8.06，温室气体排放量为~ 1.7 kg CO₂-eq/kg乙醇。集成的RSM-NSGA-II框架展示了将SPW转化为可再生生物乙醇的可扩展和生态高效途径。

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引用次数: 0

Energy-efficient design of extractive distillation for benzene–cyclohexane–cyclohexene using molecular simulation and multi-objective optimization 基于分子模拟和多目标优化的苯-环己烷-环己烯萃取精馏节能设计

IF 3.9 3区工程技术 Q3 ENERGY & FUELS

Chemical Engineering and Processing - Process Intensification

Pub Date : 2025-12-16 DOI: 10.1016/j.cep.2025.110663

Fengzhi Li , Yulong Li , Yang Xiao, Zhiwei Zhang, Yan Wang, Wangfeng Cai

In benzene hydrogenation, benzene, cyclohexane, and cyclohexene form a ternary azeotrope with close boiling points, making separation energy-intensive and underscoring the need for sustainable strategies. This study applies a comprehensive extractive distillation framework that integrates molecular-level entrainer screening, process intensification, and multi-objective optimization, thereby providing a unified platform to evaluate and compare advanced intensified configurations. Ethylene glycol was identified as the optimal entrainer through COSMO-SAC-based molecular analysis and relative volatility evaluation. To improve separation performance, five intensified configurations were systematically explored, incorporating heat integration, intermediate reboilers, and heat pump assistance either individually or in combination. A multi-objective optimization framework based on the NSGA-III algorithm was applied to minimize total annual cost (TAC) and greenhouse gas emissions, while the TOPSIS method was employed to determine the most favorable trade-off solution from the Pareto front. The hybrid configuration combining all three intensification strategies achieved the best overall performance, reducing TAC by 25.3 % and emissions by 37.8 %. This work demonstrates the novelty and synergy of combining quantum chemistry-guided solvent selection, multi-criteria optimization, and hybrid intensification strategies. The proposed framework not only enables low-emission separation of complex ternary azeotropes but also offers a transferable methodology applicable to a wide range of industrial systems.

在苯加氢过程中，苯、环己烷和环己烷形成沸点接近的三元共沸物，这使得分离过程耗能大，强调了可持续发展策略的必要性。本研究采用综合萃取精馏框架，将分子级夹带剂筛选、工艺强化和多目标优化整合在一起，从而为评价和比较先进的强化配置提供了统一的平台。通过cosmos - sac分子分析和相对挥发性评价，确定乙二醇为最佳夹带剂。为了提高分离性能，系统地探索了五种强化配置，包括热量集成，中间再锅炉和热泵辅助，无论是单独还是组合。采用基于NSGA-III算法的多目标优化框架，以最小化年总成本（TAC）和温室气体排放，采用TOPSIS方法从Pareto前沿确定最有利的权衡方案。混合动力配置结合了所有三种强化策略，实现了最佳的整体性能，TAC降低了25.3%，排放量降低了37.8%。这项工作展示了结合量子化学引导的溶剂选择，多标准优化和混合强化策略的新颖性和协同作用。所提出的框架不仅可以实现复杂三元共沸物的低排放分离，而且还提供了一种适用于广泛工业系统的可转移方法。

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