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Research in Industrial Use of Ion Exchange and Simulation 离子交换和模拟的工业应用研究
IF 1.3 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2023-11-16 DOI: 10.3311/ppch.22490
G. Pátzay, Emil Csonka
We investigated the industrial use of ion exchange technology as well as the modeling of fixed bed, multicomponent ion exchange processes. In this paper we report on both fields of this research. We have developed a complex technology for the selective separation of the long-live radionuclides and the partial recycling of boric acid from radioactive evaporator bottom residue. A wastewater treatment system has been developed by using a cesium-selective inorganic ion exchanger. The selective separation of 137Cs, 134Cs from high salt concentration and strongly alkaline evaporator bottom residue in Paks NPP has a volume reduction factor of about 3500–6500 at the value of the decontamination factor DF > 100, for the samples of four evaporator bottom residue tanks of the NPP. Some important classes of ion exchangers do possess uniform internal pore structures and bring all parts of the solíd structure into much closer contact with the liquid. Such materials are porous organic resins. For these types of exchangers, we have modified Mansour's multicomponent adsorption model and developed a computer program to describe multicomponent breakthrough, cocurrent, and counter-current elution curves for ion exchangers. In addition, we have developed a subroutine for the calculation of multicomponent ion exchange kinetics according to Nernst-Planck equation and successfully tested it. This subroutine will be added to the multicomponent ion exchange breakthrough and elution simulation program to have a real multicomponent ion exchange simulation program. In this paper we report about these research results too.
我们研究了离子交换技术的工业应用以及固定床多组分离子交换过程的建模。在本文中,我们报告了这两个研究领域的情况。我们开发了一种复杂的技术,用于从放射性蒸发器底部残留物中选择性分离长效放射性核素和部分回收硼酸。我们利用铯选择性无机离子交换器开发了一种废水处理系统。从帕克斯核电厂的高浓度盐和强碱性蒸发器底部残渣中选择性分离 137Cs、134Cs,在去污系数 DF > 100 的情况下,对核电厂四个蒸发器底部残渣罐的样本进行处理,体积减少系数约为 3500-6500 。一些重要类别的离子交换剂确实具有均匀的内部孔隙结构,并能使溶质结构的所有部分与液体更紧密地接触。这类材料是多孔有机树脂。针对这些类型的交换器,我们修改了曼苏尔的多组分吸附模型,并开发了一套计算机程序,用于描述离子交换器的多组分突破、共流和逆流洗脱曲线。此外,我们还开发了根据 Nernst-Planck 方程计算多组分离子交换动力学的子程序,并成功进行了测试。这个子程序将被添加到多组分离子交换突破和洗脱模拟程序中,从而形成一个真正的多组分离子交换模拟程序。本文也报告了这些研究成果。
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引用次数: 0
Determining the Quintet Lifetimes in Side-ring Substituted [Fe(terpy)2]2+ Complexes 确定侧环取代[Fe(terpy)2]2+配合物中的五重奏寿命
IF 1.3 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2023-11-16 DOI: 10.3311/ppch.22748
Andor Vancza, Marcell Levente Kapta, Mariann Papp, György Vankó, Tamás Keszthelyi
We previously studied the effect of 4' substitution in iron(II)-bis-terpyridine complexes, showing that the photoexcited high-spin quintet-state is stabilized by electron-donating substituents. In this paper we explore the effects of electron-donating ( X = NH2 , Cl ) and withdrawing ( X = NO2 ) substituents in the 5,5" positions on the stability and lifetime of the quintet-state. We used a simple densitiy-functional theory (DFT) based method that had been proven fairly accurate in the case of 4' substitution to estimate the energy barrier of the quintet-singlet transition and thereby predict the quintet state lifetime. We synthetized the complexes and used ultrafast transient optical absorption spectroscopy to experimentally determine the quintet lifetimes, in order to test the applicability of these quantum-chemistry based predictive methods for these side-ring substitution cases. UV-Visible spectra of the complexes have shown that the metal-to-li­gand charge transfer (MLCT) and ligand-localized transitions of these complexes change according to the previous observations. We have shown that in the 5,5" positions, electron withdrawing groups stabilize the quintet state, while donating groups destabilize it. This is in stark contrast to the effects previously observed for the 4' case, and indicates that unlike the latter case, the simple concept of inductive and mesomeric effects may not be adequate to describe the changes due to 5,5" substitution, warranting further study of the area.
我们以前研究过铁(II)-双叔吡啶配合物中 4'取代基的影响,结果表明光激发的高自旋五元态可通过电子捐赠取代基得到稳定。在本文中,我们探讨了 5,5" 位上的捐电子(X = NH2 , Cl)和析电子(X = NO2)取代基对五元态稳定性和寿命的影响。我们使用了一种简单的基于密度函数理论(DFT)的方法来估算五元子转变的能垒,从而预测五元态的寿命。我们合成了这些复合物,并使用超快瞬态光学吸收光谱实验测定了五元态的寿命,以检验这些基于量子化学的预测方法在这些侧环取代情况下的适用性。复合物的紫外-可见光谱显示,这些复合物的金属-配体电荷转移(MLCT)和配体-局部跃迁与之前的观察结果一致。我们发现,在 5,5 "位置,取电子基团会稳定五元态,而捐电子基团则会破坏五元态的稳定性。这与之前观察到的 4'位置的效应形成了鲜明对比,并表明与后一种情况不同,简单的感应效应和间位效应概念可能不足以描述 5,5 "取代引起的变化,因此有必要对这一领域进行进一步研究。
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引用次数: 0
Tiered Approach for Assessing the Effective and Safe Applicability of Beech Wood Biochar for Soil Improvement 评估榉木生物炭在土壤改良中的有效和安全应用的分层方法
IF 1.3 4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2023-11-16 DOI: 10.3311/ppch.22844
Szabina Molnár, Dalma Szombathy, E. Vaszita, Mónika Molnár
The soil degradation processes may cause long-term serious problems in various areas of life on Earth, thus mitigation of these processes by environmental-friendly, innovative soil protection methods is necessary. Biochar produced from organic wastes or by-products by pyrolysis may have several positive properties as additive in soil improvement technologies. In our complex research applying a tiered approach we assessed the main properties of a beech-wood biochar produced from a high volume by-product of a food industry technology. Then we studied in 4-months microcosm experiments the applicability of this biochar as amendment mixed into an acidic, degraded sandy soil. In addition, to forecast the long-term effects of the biochar, artificial physical and biological aging experiments were conducted.Based on the results, the beech-wood biochar was able to shift the acidic pH of the soil to the alkaline range and the electric conductivity of the soil increased with incremental biochar doses. Biochar addition significantly increased the microbial activity, as well. The results had clearly shown that during the mid-term experiment not even the highest biochar dose (15%) had inhibitive effect, but it rather improved several soil parameters. Furthermore, the biochar had positive effect on the soil water holding capacity, and the available soil nutrient and organic matter content. The results of the aging experiments generally showed also favourable effects and demonstrated that the aging-mediated changes differed according to the soil types. Therefore, we have concluded that biochar application requires a char by char and soil by soil testing prior to field application.
土壤退化过程可能会给地球上的各个生活领域带来长期的严重问题,因此有必要采用环保、创新的土壤保护方法来缓解这些过程。由有机废物或热解副产品制成的生物炭可以作为土壤改良技术的添加剂,具有多种积极的特性。在我们采用分层方法进行的综合研究中,我们评估了从食品工业技术的大量副产品中生产的榉木生物炭的主要特性。然后,我们在为期 4 个月的微观世界实验中研究了将这种生物炭混合到酸性退化沙质土壤中作为改良剂的适用性。根据实验结果,榉木生物炭能够将土壤的酸性 pH 值转移到碱性范围,土壤的电导率随着生物炭剂量的增加而增加。生物炭的添加也大大提高了微生物的活性。结果清楚地表明,在中期实验中,即使是最高剂量的生物炭(15%)也没有抑制作用,反而改善了多项土壤参数。此外,生物炭还对土壤持水能力、可用土壤养分和有机物含量产生了积极影响。陈化实验的结果总体上也显示出了良好的效果,并证明了不同类型土壤的陈化变化是不同的。因此,我们得出结论,生物炭的应用需要在实地应用前进行逐炭和逐土测试。
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引用次数: 0
Teszt_10.26_Accept 测试_10.26_接受
4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2023-10-26 DOI: 10.3311/ppch.23606
Author Teszt, Alma Véghseő
Teszt_10.26_Accept
测试_10.26_接受
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引用次数: 0
Crystalline Forms of 4,4'-Methylenediantipyrine: Crystallographic Unit Cell for the Anhydrous Form, from Laboratory Powder XRD Pattern by DASH Program Package 4,4′-亚甲二安替比林的结晶形态:无水形态的结晶单元,由DASH程序包从实验室粉末XRD图中得到
4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2023-10-16 DOI: 10.3311/ppch.22950
Dorottya Fruzsina Bánhegyi, János Madarász, Elemér Fogassy, Emese Pálovics, György Pokol
Crystalline unit cell structure of anhydrous title compound, diantipyrinylmethane (CAS Registry No. 1251-85-0), a substance usually obtained as a by-product in Mannich type reactions of antipyrine, has been modelled by the help of powder X-ray diffraction, applying the DASH software package and crystal coordinates coming from former single crystal X-ray structure determinations (CSD codes FADDIY and FADDIY01) of its monohydrate. The unit cell of the anhydrate compound belongs to the monoclinic space group P21/a, with unit cell parameters of a = 14.604, b = 9.858, c = 14.509 Å, β = 95.56 °, V = 2078.9 Å3, Z = 4, Z ' = 1. Comparisons of FT-IR spectrum and thermal behavior of the anhydrous and monohydrated forms confirm differences in degree of hydration and solid state structure, while those of 1H- and 13C NMR-spectra show their molecular identity.
摘要采用DASH软件包,利用先前单晶x射线结构测定(CSD代码FADDIY和FADDIY01)的晶体坐标,利用粉末x射线衍射对无水化合物二安提比林基甲烷(CAS注册号1251-85-0)的晶体单位细胞结构进行了建模。无水化合物的单元胞属于单斜空间群P21/a,单元胞参数为a = 14.604, b = 9.858, c = 14.509 Å, β = 95.56°,V = 2078.9 Å3, Z = 4, Z ' = 1。通过FT-IR光谱和热行为的比较,证实了水化程度和固态结构的差异,而1H-和13C核磁共振光谱显示了它们的分子特性。
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引用次数: 0
Preparation of Highly Porous Scaffolds with Controllable Pore Size from Microbial Polyesters 微生物聚酯制备孔径可控的高孔支架
4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2023-10-10 DOI: 10.3311/ppch.22771
Péter Polyák, Ágoston Tóth, Dóra Tátraaljai
Microbial polyesters saw limited use in the field of tissue engineering, even though the biocompatibility of these polymers makes them ideal candidates for this role. The primary factor that hinders the proliferation of microbial polyesters in this market is that their processing with conventional techniques, such as electrospinning or 3D printing, is challenging. However, the full potential of these biopolymers could still be utilized by applying unconventional manufacturing methods, such as those based on the concept of salt leaching. An implementation of this concept facilitates the production of scaffolds that simultaneously have high porosity and excellent permeability. Moreover, the average pore size can also be varied in the range from 50 to 400 µm, which was reported to be optimal for the cultivation of eucaryotic cell cultures. By adjusting the pore size, the scaffold can be tailored to the eucaryotic cells the tissue consists of. Furthermore, we have developed an entirely new computational method for the approximation of the pore size distribution of the scaffolds. The method relies on 3D data reconstructed by the software of a digital optical microscope and also facilitates the modeling of the average pore size of scaffolds. Thus, besides the control of the pore size, our method enables its prediction as well.
微生物聚酯在组织工程领域的应用有限,尽管这些聚合物的生物相容性使它们成为这一角色的理想候选者。阻碍微生物聚酯在这个市场上扩散的主要因素是,用静电纺丝或3D打印等传统技术加工它们是具有挑战性的。然而,这些生物聚合物的全部潜力仍然可以通过应用非常规的制造方法来利用,例如基于盐浸概念的方法。这一概念的实施促进了支架的生产,同时具有高孔隙率和优异的渗透性。此外,平均孔径也可以在50到400µm范围内变化,据报道,这是培养真核细胞培养的最佳孔径。通过调整孔隙大小,支架可以根据组织组成的真核细胞进行调整。此外,我们还开发了一种全新的计算方法来近似支架的孔径分布。该方法依赖于数字光学显微镜软件重建的三维数据,也便于支架平均孔径的建模。因此,我们的方法除了可以控制孔隙大小外,还可以对其进行预测。
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引用次数: 0
Two Acridone Units in One Crown Ether 一个冠醚里有两个吖啶酮
4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2023-09-27 DOI: 10.3311/ppch.22768
Panna Vezse, Dániel Ster, Ádám Golcs, Péter Huszthy, Tünde Tóth
We present here a critical overview on the effects of the second heterocyclic subunit in a bisacridino-crown ether by the discussion of its role in modulating optochemical behavior and preference in molecular recognition. The preparation of a new bisacridono-crown ether is presented including synthetic difficulties, and its fluorescence properties and selectivity in formation of inclusion complexes with various cations are evaluated in the light of reported analogues.
本文通过讨论其在调节光化学行为和分子识别偏好中的作用,对双吖啶酮冠醚中第二个杂环亚基的作用进行了综述。介绍了一种新型双吖啶酮冠醚的制备方法,包括合成难点,并结合已有的类似物评价了其荧光性质和与各种阳离子形成包合物的选择性。
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引用次数: 0
Eco-friendly Synthesis of Novel Phosphorus Flame Retardants for Multiple Purposes 新型多用途磷系阻燃剂的环保合成
4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2023-09-25 DOI: 10.3311/ppch.22758
Beáta Szolnoki, Thuy Tien Nguyen Thanh, György Harakály
The synthesis methods of most parts of phosphorus (P)-based flame retardants apply harmful and toxic reagents, and the formation of byproducts is often inevitable. The synthesis of P-based flame retardants (FRs) according to the green chemistry approach has been investigated. Two FRs have been prepared via an addition reaction of phosphorus-pentoxide and alcohols. These molecules can be used as additive FRs after salt formation or as precursors for flame retardant surface treatments of natural fibers. The flame retardant efficacy of the synthesized additives was assessed in a bioepoxy resin system through UL-94 and limiting oxygen index tests, while their mode of action was determined by the investigation of gas-phase degradation products and thermogravimetric analysis (TGA). The prepared adduct was also used in the formulation of a reactive flame-retardant surface treatment for cellulosic fibers. In TGA tests, the treated fibers produced significant amounts of char residue.
大部分磷(P)基阻燃剂的合成方法采用有害、有毒的试剂,副产品的形成往往是不可避免的。研究了用绿色化学方法合成p基阻燃剂的方法。通过五氧化二磷与醇的加成反应制备了两种FRs。这些分子可以用作盐形成后的FRs添加剂或用作天然纤维阻燃表面处理的前体。通过UL-94和极限氧指数测试,在生物环氧树脂体系中评价了合成添加剂的阻燃效果,通过气相降解产物的研究和热重分析(TGA)确定了它们的作用方式。所制备的加合物还用于纤维纤维的反应性阻燃表面处理配方。在TGA测试中,处理过的纤维产生了大量的炭渣。
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引用次数: 0
Nanoformulation of Therapeutic Enzymes: A Short Review 治疗酶的纳米配方:综述
4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2023-09-25 DOI: 10.3311/ppch.22826
Gergő Dániel Tóth, Gábor Koplányi, Balázs Kenéz, Diána Balogh-Weiser
Enzyme replacement therapy (ERT) is a therapeutic approach that involves the administration of specific enzymes to the patient in order to correct metabolic defects caused by enzyme deficiency. The formulation of ERTs involves the production, purification, and formulation of the enzyme into a stable and biologically active drug product, often using recombinant DNA technology. Non-systemic ERTs often involve the immobilization of the enzyme on a carrier, such as hydrogels, liposomes, or nanoparticles. ERT holds great promise for the treatment of a wide range of genetic disorders, and its success regarding lysosomal storage diseases, such as Fabry disease, Gaucher disease, and Pompe disease has paved the way for the development of similar therapies for other genetic disorders too.
酶替代疗法(ERT)是一种治疗方法,包括给患者特定的酶,以纠正由酶缺乏引起的代谢缺陷。ERTs的配方涉及酶的生产、纯化和配方,通常使用重组DNA技术,使酶成为稳定且具有生物活性的药物产品。非系统性ert通常涉及将酶固定在载体上,如水凝胶、脂质体或纳米颗粒。ERT在治疗广泛的遗传疾病方面有着巨大的希望,它在溶酶体储存疾病方面的成功,如法布里病、戈谢病和庞贝病,为其他遗传疾病的类似治疗的发展铺平了道路。
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引用次数: 0
Increasing Flame Ionization Detector Response by Silylation: The Effective Carbon Number of Carboxylic Acids 通过硅基化提高火焰电离探测器的响应:羧酸的有效碳数
4区 工程技术 Q3 ENGINEERING, CHEMICAL Pub Date : 2023-09-25 DOI: 10.3311/ppch.22827
Judit Mátyási, Gyula Nyerges, József Balla
Detector response of carboxylic acids (C2–C12, straight and branched chain) were investigated using a flame ionization detector (FID) in a capillary gas chromatographic system. The response of the FID for hydrocarbons is almost directly proportional to the carbon quantity introduced into the flame. Heteroatoms in the molecule reduce signal magnitude, depending on their quality and on the bond they are involved in. We expressed this reduced response with the effective carbon number (ECN). We determined the ECN contribution (ΔECN) of the carboxyl group on the alkyl skeleton. We examined how the responses of carboxylic acids change if trimethylsilyl derivatives are evaluated and we compared the ECN of the neat and derivatized form.
在毛细管气相色谱系统中,利用火焰电离检测器(FID)研究了羧酸(C2-C12,直链和支链)的检测器响应。FID对碳氢化合物的反应几乎与火焰中引入的碳量成正比。分子中的杂原子会降低信号强度,这取决于它们的性质和它们所参与的键。我们用有效碳数(ECN)来表示这种减少的响应。我们确定了烷基骨架上羧基的ECN贡献(ΔECN)。我们研究了如果评估三甲基硅基衍生物,羧酸的反应如何变化,并比较了整齐形式和衍生形式的ECN。
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引用次数: 0
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Periodica Polytechnica Chemical Engineering
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