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Application of modified PVC membranes with GO-ZnO nanoparticles in MBR: Sludge characteristics, fouling control and removal performance 在 MBR 中应用含有 GO-ZnO 纳米颗粒的改性 PVC 膜:污泥特性、污垢控制和去除性能
IF 5.7 3区 工程技术 Q1 Chemical Engineering Pub Date : 2024-06-04 DOI: 10.1016/j.jtice.2024.105586
Sahar Onagh , Hossein Hazrati , Yoones Jafarzadeh

Background

Membrane fouling is still one crucial impediment in the application of membrane bioreactors (MBR).

Methods

Antifouling properties of GO and GO-ZnO embedded PVC membranes in MBR were investigated. ZnO nanoparticles were decorated onto GO nanosheets and then membranes were made by NIPS method.

Significant findings

The results revealed that the contact angle decreased from 80° for pure PVC to 67° for 0.1 wt% GO-ZnO embedded membrane. Pure water flux increased from 33 L/m2h for neat membrane to 128 L/m2h for 0.075 wt% PVC/GO-ZnO membrane. The performance of membranes was evaluated during 35 days MBR filtration system using several analyses including COD, turbidity, SMP, EPS, PSD, and EEM. Results indicated that the presence of GO-ZnO nanoparticles in the membranes has a positive effect on COD and turbidity removal due to the oxygen-containing groups attracting SMP through intermolecular force interaction. In addition, the inclusion of nanoparticles in the membranes leads to a reduction in EPS concentration. Research on PVC membranes with graphene oxide and zinc oxide nanoparticles in membrane bioreactor processes is crucial for advancing water treatment technology. These nanomaterials promise enhanced membrane performance, longevity, and efficiency in treating wastewater, leading to more sustainable and effective water treatment solutions.

背景膜污垢仍然是膜生物反应器(MBR)应用中的一个关键障碍。方法研究了 GO 和 GO-ZnO 嵌入 PVC 膜在 MBR 中的防污性能。结果表明,接触角从纯 PVC 的 80° 下降到 0.1 wt% GO-ZnO 嵌入膜的 67°。纯水通量从纯膜的 33 升/平方米小时增加到 0.075 wt% PVC/GO-ZnO 膜的 128 升/平方米小时。在 35 天的 MBR 过滤系统中,使用了几种分析方法对膜的性能进行了评估,包括 COD、浊度、SMP、EPS、PSD 和 EEM。结果表明,膜中含有 GO-ZnO 纳米粒子对去除 COD 和浊度有积极作用,这是因为含氧基团通过分子间力的相互作用吸引了 SMP。此外,在膜中加入纳米颗粒还能降低 EPS 浓度。在膜生物反应器过程中研究含有氧化石墨烯和氧化锌纳米颗粒的聚氯乙烯膜,对于推动水处理技术的发展至关重要。这些纳米材料有望提高膜的性能、寿命和处理废水的效率,从而带来更可持续和更有效的水处理解决方案。
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引用次数: 0
Synergistic 3D architecture of Fe-Co-Ni@CF/C-TiO2@NFF for high-performance electrochemical seawater splitting for hydrogen generation 用于高性能电化学海水分离制氢的铁-铜-镍@CF/C-二氧化钛@NFF 的三维协同结构
IF 5.7 3区 工程技术 Q1 Chemical Engineering Pub Date : 2024-06-04 DOI: 10.1016/j.jtice.2024.105578
Yasser A. Shaban , Shahed U.M. Khan , Mohamed Abdel Salam , Radwan Khalid Al-Farawati , Mohammed Ali Ghandourah , Doaa Fowzi Baamer , Mousa Zobidi

Background

Electrochemical water splitting, employing both the anodic oxygen evolution reaction (OER) and the cathodic hydrogen evolution reaction (HER), emerges as highly promising method for hydrogen production.

Methods

Herein the spray pyrolysis technique was utilized for the synthesis of novel electrodes of ternary mixed oxide of Fe, Co, and Ni and carbon doped titanium oxide (C-TiO2) on a three-dimensional (3D) open-pore structure of Cu (CF) and Ni-Fe (NFF) foams, respectively. The electrocatalytic performances of these electrodes were then evaluated in three different electrolyte solutions: 1.0 M KOH, natural seawater, and buffered natural seawater.

Significant findings

The addition of buffer media (borate buffer) successfully overcame the challenges associated with seawater splitting. The required potential to reach a current density of 80 mA cm−2 decreased drastically from 1.16 V vs RHE in seawater to just 968 mV in buffered seawater. Remarkably at a constant potential of 1.3 V vs RHE, the current density increased significantly from 93.3 mA cm−2 for seawater to 200.8 mA cm−2 for buffered seawater. Low Tafel slopes of 76 mV dec−1 and 90 mV dec−1 were observed for Fe-Co-Ni@CF and C-TiO2@NFF electrodes, respectively.

背景利用阳极氧进化反应(OER)和阴极氢进化反应(HER)进行电化学水分离是一种非常有前景的制氢方法。方法本文利用喷雾热解技术在三维(3D)开孔结构的铜(CF)和镍铁(NFF)泡沫上分别合成了铁、钴、镍三元混合氧化物和碳掺杂氧化钛(C-TiO2)的新型电极。然后在三种不同的电解质溶液中评估了这些电极的电催化性能:重要发现添加缓冲介质(硼酸盐缓冲液)成功地克服了与海水分离相关的挑战。达到 80 mA cm-2 电流密度所需的电位从海水中相对于 RHE 的 1.16 V 急剧下降到缓冲海水中的 968 mV。值得注意的是,在 1.3 V 对 RHE 的恒定电位下,电流密度从海水的 93.3 mA cm-2 显著增加到缓冲海水的 200.8 mA cm-2。铁-钴-镍@CF 和 C-TiO2@NFF 电极的塔菲尔斜率分别为 76 mV dec-1 和 90 mV dec-1。
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引用次数: 0
Electron-transfer dynamics and photocatalytic H2-production activity of PbS@Cu2S nanocomposites PbS@Cu2S 纳米复合材料的电子传递动力学和光催化产生 H2 的活性
IF 5.7 3区 工程技术 Q1 Chemical Engineering Pub Date : 2024-06-03 DOI: 10.1016/j.jtice.2024.105587
Chi-Jung Chang , Shao-Ching Hsieh , Jemkun Chen , Yi-Ching Wang , Chao-Lung Chiang , Yan-Gu Lin

Background

Lead citrate is a precursor that can be prepared by recycling the spent lead paste of lead-acid batteries. Lead citrate is used to synthesize lead oxide, which can be repeatedly utilized for the lead-acid battery application.

Methods

We report a new application of lead citrate precursor to synthesize PbS@Cu2S nanomaterials for photocatalytic H2 production. PbS@Cu2S was prepared by microwave-assisted hydrothermal and ion-exchange processes. The electron-transfer dynamics and H2-production activity of PbS@Cu2S photocatalysts were studied.

Significant findings

A S-scheme heterojunction is proposed based on the results of Tauc plots, ultraviolet photoelectron spectroscopy, the electron paramagnetic resonance scavenger test, and in situ near-edge X-ray absorption fine structure (NEXAFS) analysis. Results of in situ NEXAFS reveal the transfer of photoexcited electrons from PbS to Cu2S. By loading an optimized amount of Cu2S, the carrier separation and photocatalytic activity of PbS@Cu2S photocatalysts are improved. This technology can transform the lead citrate precursor to the PbS@Cu2S photocatalyst with excellent high H2 production activity (3824 μmol g−1 h−1).

背景柠檬酸铅是一种前驱体,可通过回收铅酸蓄电池的废铅膏制备。柠檬酸铅可用于合成氧化铅,而氧化铅可重复用于铅酸蓄电池。PbS@Cu2S 是通过微波辅助水热法和离子交换法制备的。根据陶克图、紫外光电子能谱、电子顺磁共振清扫试验和原位近边 X 射线吸收精细结构(NEXAFS)分析的结果,提出了一种 S 型异质结。原位近边 X 射线吸收精细结构分析的结果表明,光激发电子从 PbS 转移到了 Cu2S。通过负载优化量的 Cu2S,PbS@Cu2S 光催化剂的载流子分离和光催化活性得到了改善。该技术可将柠檬酸铅前驱体转化为 PbS@Cu2S 光催化剂,其 H2 生成活性极高(3824 μmol g-1 h-1)。
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引用次数: 0
Experimental investigation of the hydro-thermal efficiency of the non-Newtonian ferrofluid in the annulus heat tube under the influence of the non-uniform magnetic fields 环形热管中的非牛顿铁流体在非均匀磁场影响下的水热效率实验研究
IF 5.7 3区 工程技术 Q1 Chemical Engineering Pub Date : 2024-06-02 DOI: 10.1016/j.jtice.2024.105568
Mehran Valizadeh, Ali Akbar Ranjbar, Kurosh Sedighi

Background

Annulus heat pipes, employed in concentric pipe heat exchangers, attracted extensive application in chemical laboratories due to their unique characteristics in design, adaptability, convenient manufacturing, and size. However, as modern industries require enhanced heat transfer capabilities, numerous investigations have been conducted over the past few decades to examine the thermal performance of annulus space. While previous research demonstrated the considerable impact of an external magnetic field in enhancing the thermal efficiency of heat pipes and heat exchangers, the specific influence of both magnetic field and non-Newtonian fluid within an annulus pipe remained uncertain.

Method

In this study, an experimental investigation was carried out to examine the hydrothermal behavior of a non-Newtonian ferrofluid within an annulus space, while being subjected to a non-uniform external magnetic field. The working fluid used was a mixture of water and 2 % Carboxymethyl cellulose (CMC), which exhibits non-Newtonian properties. Ferrofluids were prepared by incorporating varying proportions of Fe3O4 into the base flow. The study focused on analyzing the influence of the magnetic field, magnetic field intensities, the number of magnetic sources, and the Reynolds number.

Significant Findings

The results revealed a significant improvement of approximately 71 % in average heat transfer within the channel when the magnetic field was employed at low Reynolds numbers (Re=200) with a magnetic field intensity of 400 G, and a single electromagnet was activated. However, at Re=500 and B = 400 G, with only one electromagnet activated, the improvement in heat transfer was approximately 55 %. Moreover, a numerical simulation is performed on the geometry to better clarify the physics of the fluid in the domain.

背景 在同心管热交换器中使用的环形热管因其设计独特、适应性强、制造方便和尺寸小等特点而在化学实验室中得到广泛应用。然而,由于现代工业需要更强的传热能力,过去几十年来,人们对环形空间的热性能进行了大量研究。虽然之前的研究表明外部磁场对提高热管和热交换器的热效率有相当大的影响,但磁场和环形管道内非牛顿流体的具体影响仍不确定。使用的工作流体是水和 2% 羧甲基纤维素 (CMC) 的混合物,具有非牛顿特性。铁流体是通过在基流中加入不同比例的 Fe3O4 制备而成的。研究重点是分析磁场、磁场强度、磁源数量和雷诺数的影响。重要发现结果表明,在低雷诺数(Re=200)、磁场强度为 400 G 且启动单个电磁铁时,磁场在通道内的平均传热量显著提高了约 71%。然而,在 Re=500 和 B=400 G 条件下,只启动一个电磁铁时,传热效果提高了约 55%。此外,还对几何形状进行了数值模拟,以更好地阐明域中流体的物理特性。
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引用次数: 0
Metal-organic framework integrated surface-engineered polyelectrolyte membranes enhancing tetrahydrofuran dehydration 提高四氢呋喃脱水能力的金属有机框架集成表面工程聚电解质膜
IF 5.7 3区 工程技术 Q1 Chemical Engineering Pub Date : 2024-06-02 DOI: 10.1016/j.jtice.2024.105581
Yu-Han Huang , Shu-Hsien Huang , Marwin R. Gallardo , Jeremiah C. Millare , Chi-Lan Li , Kueir-Rarn Lee

Background

Enhancing composite membrane performance is crucial for industrial separation processes. Integrating metal-organic frameworks (MOFs) into membranes offers a promising strategy. We introduce a novel approach by integrating HKUST-1 MOF within a polyelectrolyte matrix to improve membrane efficiency.

Methods

A layer-by-layer self-assembly technique on a hydrolyzed polyacrylonitrile support integrates HKUST-1 into a polyelectrolyte matrix. Polyethyleneimine (PEI) and polyacrylic acid (PAA) form the polyelectrolyte layer through electrostatic interactions. The incorporation of HKUST-1 within the PEI matrix enhances separation efficiency, particularly in tetrahydrofuran dehydration, with optimal conditions using 100 ppm of HKUST-1 and forming 2 bilayers.

Significant findings

Under optimal conditions, the resulting membrane exhibits exceptional performance. It demonstrates a permeation flux of 1442.30 g∙m−2∙h−1, a water concentration in the permeate of 98.0 wt%, and a separation factor of 440. The modified membrane also shows remarkable stability across varying temperatures (25–55 °C) and tetrahydrofuran concentrations in the feed (10–90 wt%) during long-term testing. These findings highlight the membrane's potential for enhancing separation processes in the chemical industry.

背景提升复合膜性能对于工业分离过程至关重要。将金属有机框架(MOFs)整合到膜中是一种很有前景的策略。我们介绍了一种将 HKUST-1 MOF 集成到聚电解质基质中以提高膜效率的新方法。方法在水解聚丙烯腈载体上采用逐层自组装技术将 HKUST-1 集成到聚电解质基质中。聚乙烯亚胺(PEI)和聚丙烯酸(PAA)通过静电作用形成聚电解质层。在 PEI 基质中加入 HKUST-1 提高了分离效率,尤其是在四氢呋喃脱水过程中,最佳条件是使用 100 ppm 的 HKUST-1,并形成 2 层双层膜。在最佳条件下,生成的膜表现出卓越的性能,其渗透通量为 1442.30 g∙m-2∙h-1 ,渗透物中的水浓度为 98.0 wt%,分离因子为 440。在长期测试过程中,经过改良的膜在不同温度(25-55 °C)和进料中四氢呋喃浓度(10-90 wt%)下也表现出显著的稳定性。这些发现凸显了该膜在化学工业中增强分离过程的潜力。
{"title":"Metal-organic framework integrated surface-engineered polyelectrolyte membranes enhancing tetrahydrofuran dehydration","authors":"Yu-Han Huang ,&nbsp;Shu-Hsien Huang ,&nbsp;Marwin R. Gallardo ,&nbsp;Jeremiah C. Millare ,&nbsp;Chi-Lan Li ,&nbsp;Kueir-Rarn Lee","doi":"10.1016/j.jtice.2024.105581","DOIUrl":"https://doi.org/10.1016/j.jtice.2024.105581","url":null,"abstract":"<div><h3>Background</h3><p>Enhancing composite membrane performance is crucial for industrial separation processes. Integrating metal-organic frameworks (MOFs) into membranes offers a promising strategy. We introduce a novel approach by integrating HKUST-1 MOF within a polyelectrolyte matrix to improve membrane efficiency.</p></div><div><h3>Methods</h3><p>A layer-by-layer self-assembly technique on a hydrolyzed polyacrylonitrile support integrates HKUST-1 into a polyelectrolyte matrix. Polyethyleneimine (PEI) and polyacrylic acid (PAA) form the polyelectrolyte layer through electrostatic interactions. The incorporation of HKUST-1 within the PEI matrix enhances separation efficiency, particularly in tetrahydrofuran dehydration, with optimal conditions using 100 ppm of HKUST-1 and forming 2 bilayers.</p></div><div><h3>Significant findings</h3><p>Under optimal conditions, the resulting membrane exhibits exceptional performance. It demonstrates a permeation flux of 1442.30 g∙m<sup>−2</sup>∙h<sup>−1</sup>, a water concentration in the permeate of 98.0 wt%, and a separation factor of 440. The modified membrane also shows remarkable stability across varying temperatures (25–55 °C) and tetrahydrofuran concentrations in the feed (10–90 wt%) during long-term testing. These findings highlight the membrane's potential for enhancing separation processes in the chemical industry.</p></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141243515","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
Enhancing wastewater treatment efficiency through hydrodynamic cavitation and advanced oxidation processes: Experimental insights and comparative analysis 通过流体动力空化和高级氧化工艺提高废水处理效率:实验启示和比较分析
IF 5.7 3区 工程技术 Q1 Chemical Engineering Pub Date : 2024-06-01 DOI: 10.1016/j.jtice.2024.105604
Esmail Noshadi, M. Changizian, M. Behbahani-Nejad
{"title":"Enhancing wastewater treatment efficiency through hydrodynamic cavitation and advanced oxidation processes: Experimental insights and comparative analysis","authors":"Esmail Noshadi, M. Changizian, M. Behbahani-Nejad","doi":"10.1016/j.jtice.2024.105604","DOIUrl":"https://doi.org/10.1016/j.jtice.2024.105604","url":null,"abstract":"","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141415472","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
Real-time detection of lysine decarboxylase activity and cellular energy pool under inducible CadA expression system in engineered Escherichia coli 实时检测工程大肠杆菌诱导型 CadA 表达系统下的赖氨酸脱羧酶活性和细胞能量池
IF 5.7 3区 工程技术 Q1 Chemical Engineering Pub Date : 2024-06-01 DOI: 10.1016/j.jtice.2024.105625
Chih-Yu Huang, Ying-Chun Chen, Dillirani Nagarajan, I-Son Ng, Jo-Shu Chang
{"title":"Real-time detection of lysine decarboxylase activity and cellular energy pool under inducible CadA expression system in engineered Escherichia coli","authors":"Chih-Yu Huang, Ying-Chun Chen, Dillirani Nagarajan, I-Son Ng, Jo-Shu Chang","doi":"10.1016/j.jtice.2024.105625","DOIUrl":"https://doi.org/10.1016/j.jtice.2024.105625","url":null,"abstract":"","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141409636","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
Nano-ZnO/ nitrogen self-doped hierarchically porous graphite-like carbon derived from Astragalus residue toward effective removal of phenol 从黄芪渣中提取的纳米氧化锌/氮自掺杂分层多孔石墨状碳可有效去除苯酚
IF 5.7 3区 工程技术 Q1 Chemical Engineering Pub Date : 2024-05-31 DOI: 10.1016/j.jtice.2024.105574
Qiong Chen , You-liang Ma , Zhong-min Feng , Jia-li Li , Yun Wang , Ting Sun

Background

Preparing porous carbon with rich pore structure and heteroatom doping is still the key issue for developing and utilizing biomass-based carbon materials.

Methods

Nano-ZnO/nitrogen self-doped hierarchically porous graphite-like carbon (AZC-700) was prepared from Astragalus residue by pyrolysis and used to adsorb phenol.

Significant Findings

AZC-700 showed a specific surface area of 1149 m2 g−1, hierarchical micro-/mesoporous structure, and adsorption capacity of 163.36 mg g−1 on phenol, which was better than those of reported biochar. AZC-700 could remove 90.09 % phenol with low initial concentration (5 mg L−1) in spiked Nanhu water to reach discharge standard, and it could maintain 89 % of the initial adsorption capacity after five cycles. ZnO nanoparticles anchored on AZC-700 as the spacer inhibited the stack of graphite-like. Self-doped nitrogen adsorbed phenol via π-π EDA, Lewis acid-base, hydrogen bond, and complexation. This study not only effectively utilized Astragalus residue, but also provided an efficient adsorbent for removing phenol.

背景制备具有丰富孔隙结构和杂原子掺杂的多孔碳仍是开发和利用生物基碳材料的关键问题。方法利用黄芪渣热解制备了纳米氧化锌/氮自掺杂分层多孔石墨状碳(AZC-700),并用于吸附苯酚。重要发现AZC-700的比表面积为1149 m2 g-1,具有分层微/介孔结构,对苯酚的吸附量为163.36 mg g-1,优于已报道的生物炭。AZC-700 对南湖加标水中低初始浓度(5 mg L-1)苯酚的去除率为 90.09%,达到排放标准,且在 5 次循环后仍能保持 89%的初始吸附量。锚定在 AZC-700 上的 ZnO 纳米粒子作为间隔物抑制了类石墨的堆积。自掺杂氮通过π-π EDA、路易斯酸碱、氢键和络合作用吸附苯酚。该研究不仅有效地利用了黄芪渣,还提供了一种去除苯酚的高效吸附剂。
{"title":"Nano-ZnO/ nitrogen self-doped hierarchically porous graphite-like carbon derived from Astragalus residue toward effective removal of phenol","authors":"Qiong Chen ,&nbsp;You-liang Ma ,&nbsp;Zhong-min Feng ,&nbsp;Jia-li Li ,&nbsp;Yun Wang ,&nbsp;Ting Sun","doi":"10.1016/j.jtice.2024.105574","DOIUrl":"https://doi.org/10.1016/j.jtice.2024.105574","url":null,"abstract":"<div><h3>Background</h3><p>Preparing porous carbon with rich pore structure and heteroatom doping is still the key issue for developing and utilizing biomass-based carbon materials.</p></div><div><h3>Methods</h3><p>Nano-ZnO/nitrogen self-doped hierarchically porous graphite-like carbon (AZC-700) was prepared from Astragalus residue by pyrolysis and used to adsorb phenol.</p></div><div><h3>Significant Findings</h3><p>AZC-700 showed a specific surface area of 1149 m<sup>2</sup> g<sup>−1</sup>, hierarchical micro-/mesoporous structure, and adsorption capacity of 163.36 mg g<sup>−1</sup> on phenol, which was better than those of reported biochar. AZC-700 could remove 90.09 % phenol with low initial concentration (5 mg <em>L</em><sup>−1</sup>) in spiked Nanhu water to reach discharge standard, and it could maintain 89 % of the initial adsorption capacity after five cycles. ZnO nanoparticles anchored on AZC-700 as the spacer inhibited the stack of graphite-like. Self-doped nitrogen adsorbed phenol <em>via</em> π-π EDA, Lewis acid-base, hydrogen bond, and complexation. This study not only effectively utilized Astragalus residue, but also provided an efficient adsorbent for removing phenol.</p></div>","PeriodicalId":381,"journal":{"name":"Journal of the Taiwan Institute of Chemical Engineers","volume":null,"pages":null},"PeriodicalIF":5.7,"publicationDate":"2024-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141243514","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
Chemical analysis of hydrogen bonding in 4-methyl-2-pentanol + 1-alkanol binary complexes: Insights from thermodynamics and DFT analysis 对 4-甲基-2-戊醇 + 1-烷醇二元复合物中氢键的化学分析:热力学和 DFT 分析的启示
IF 5.7 3区 工程技术 Q1 Chemical Engineering Pub Date : 2024-05-31 DOI: 10.1016/j.jtice.2024.105559
Mohammad Almasi , Razieh Sadat Neyband

Background

Hydrogen bonding deeply influences the properties of liquids and solutions, impacting various fields. Understanding hydrogen bonding within complex mixtures is crucial for process optimization. Thermodynamic measurements offer experimental insights into interaction energetics. Density Functional Theory (DFT) calculations provide a molecular-level understanding of the hydrogen bonding networks present in these systems.

Methods

This research investigates how mixtures containing 4-methyl-2-pentanol and various 1-alkanols behave, focusing on the importance of hydrogen bonding. An Anton Paar SVM 3000 Stabinger viscometer was used to determine the density and viscosity of these mixtures. Free Volume Theory (FVT) helped analyze the viscosity of binary mixtures. Additionally, computational simulations (using the M05–2X/6–311++G** basis sets) were performed to gain deeper insights into the hydrogen bonding characteristics within these mixtures.

Significant Finding

Analysis of excess molar volumes revealed that these mixtures exhibit a progressive increase in positive excess molar volumes with an extension in the alkyl chain length. This trend demonstrates a high level of agreement with computational data, indicating the reliability of computational methods in predicting and understanding the behavior of such mixtures. Additionally, the study provides insights into the molecular interactions at play, suggesting a basis for future research and potential industrial applications in optimizing separation processes.

背景氢键深深地影响着液体和溶液的性质,涉及各个领域。了解复杂混合物中的氢键对于工艺优化至关重要。热力学测量提供了对相互作用能量学的实验见解。本研究调查了含有 4-甲基-2-戊醇和各种 1-烷醇的混合物的行为,重点研究了氢键的重要性。使用安东帕 SVM 3000 Stabinger 粘度计测定这些混合物的密度和粘度。自由体积理论 (FVT) 帮助分析了二元混合物的粘度。此外,还进行了计算模拟(使用 M05-2X/6-311++G** 基集),以深入了解这些混合物的氢键特性。重要发现过剩摩尔体积分析表明,随着烷基链长度的延长,这些混合物的正过剩摩尔体积逐渐增加。这一趋势与计算数据高度吻合,表明计算方法在预测和理解此类混合物行为方面的可靠性。此外,这项研究还深入揭示了分子间的相互作用,为今后的研究和优化分离过程的潜在工业应用奠定了基础。
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引用次数: 0
Heat transfer enhancement in a ribbed T-shaped microchannel by oil-water slug flow 通过油-水蛞蝓流增强带肋 T 形微通道中的传热
IF 5.7 3区 工程技术 Q1 Chemical Engineering Pub Date : 2024-05-30 DOI: 10.1016/j.jtice.2024.105577
Fahimeh Farajzad Dangharalou, Mohammad Goharkhah

Background

Droplet-based microfluidics is an emerging technology for thermal management of high heat dissipating systems and electronics cooling.

Method

The current work investigates the potential of slug flow for thermal management of mini-sized heat dissipating devices and microchannels. Hydrothermal characteristics of oil-water slug flow including droplet size, liquid film thickness, pressure drop, and heat transfer have been studied in a T-shaped microchannel. Three dimensional numerical simulations have been carried out for two types of ribbed channels with short and long obstacles at different flow rates.

Findings

Results indicate that droplet size and liquid film thickness directly and reversely affect the heat transfer rate, respectively. The former intensifies the flow recirculation, and the thermal boundary layer disturbance while the latter changes the dominant heat transfer mechanism to conduction. On the whole, a maximum of 55 % heat transfer enhancement has been achieved relative to the single-phase water flow. It is also observed that by using obstacles on the channel surface, the heat transfer enhancement can be further increased with a slight pressure drop penalty.

基于液滴的微流体技术是一种新兴技术,可用于高散热系统和电子设备冷却的热管理。目前的工作研究了液滴流在微型散热设备和微通道热管理方面的潜力。研究了 T 型微通道中油水蛞蝓流的水热特性,包括液滴大小、液膜厚度、压降和传热。在不同流速下,对带有短障碍物和长障碍物的两种肋形通道进行了三维数值模拟。结果表明,液滴大小和液膜厚度分别直接和反向影响传热速率。前者加剧了流动再循环和热边界层扰动,而后者则将主要传热机制转变为传导。总体而言,与单相水流相比,传热效果最大提高了 55%。此外,通过在通道表面设置障碍,还可以进一步提高传热效果,但会带来轻微的压降损失。
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引用次数: 0
期刊
Journal of the Taiwan Institute of Chemical Engineers
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