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SwissADME and pkCSM Webservers Predictors: an integrated Online Platform for Accurate and Comprehensive Predictions for In Silico ADME/T Properties of Artemisinin and its Derivatives SwissADME和pkCSM Webservers Predictors:一个集成的在线平台,用于准确和全面地预测青蒿素及其衍生物的硅ADME/T特性
IF 0.7 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2022-11-28 DOI: 10.31643/2023/6445.13
Khaldun AL Azzam
In vivo ADME testing is costly, time-consuming, and puts animal lives at risk, whereas in silico ADME testing is safer, simpler, and faster. This study will use in silico methodologies from SwissADME and pkCSM as an integrated online platform for accurate and comprehensive predictions to determine In Silico ADME/T Properties of Artemisinin and its Derivatives. The investigated compounds' structures were translated into canonical SMILES format and then submitted to the SwissADME and pkCSM webserver tools, which provide free access to different properties of compounds. A compound's ADME/T characteristics are critical for future study and the results obtained will be of beneficial use for researchers. Additionally, the results of this study give great guidance and show that chemical alterations to the reference molecule artemisinin can enhance its ADMET capabilities. The webservers used in this work are free, and several comparison trials show that pkCSM and SwissADME performed are better than a number of other frequently used methods. The designing or engineering of a novel drug molecule primarily requires knowledge of the features of ADME/T of the new drug compound.
体内ADME测试既昂贵又耗时,还会危及动物的生命,而计算机ADME测试更安全、更简单、更快速。本研究将使用SwissADME和pkCSM的计算机方法作为一个集成的在线平台,对青蒿素及其衍生物的计算机ADME/T特性进行准确和全面的预测。所研究的化合物的结构被翻译成规范的SMILES格式,然后提交给SwissADME和pkCSM网络服务器工具,这些工具提供了对化合物不同性质的免费访问。化合物的ADME/T特性对未来的研究至关重要,所获得的结果将对研究人员有益。此外,本研究结果具有重要的指导意义,表明对参比分子青蒿素的化学改变可以增强其ADMET能力。在这项工作中使用的web服务器是免费的,几次比较试验表明,pkCSM和SwissADME的性能比其他一些常用的方法要好。新药物分子的设计或工程主要需要了解新药物化合物的ADME/T特征。
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引用次数: 15
Effect of a complex modified additive on the setting time of the cement mixture 复合改性添加剂对水泥混合料凝结时间的影响
IF 0.7 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2022-11-28 DOI: 10.31643/2023/6445.15
A. Altynbekova, R. Lukpanov, D. Dyussembinov, A. Askerbekova, E. Tkach
The article presents studies of the effect of a complex modified additive on the setting time of cement paste. The work describes the method of determining the setting time of the cement paste of standard consistency, the selection of the optimal composition of the additive at different percentages of its components, allowing accelerating the setting time. In this work, the authors used a complex modified additive including alkali (caustic soda NaOH), post-alcohol bard (alcohol production waste), and hardening accelerator (gypsum) in different percentages. Performed a comparative study of the effect of additives on changes in setting time. The analysis suggests that the additive in the optimal amount leads to changes in the setting time compared with the reference sample, but within the standards. It is shown that the combined use in the composition of a complex modified additive, having well-compatible mechanisms of their influence on the processes of hydration, setting, and hardening of the cement paste, mutually complements and enhances the effect of each ingredient of the additive. Increasing the concentration of the complex modified additive in the cement paste not only affects the liquefaction process but also reduces the setting time and hardening of the cement paste.
研究了复合改性添加剂对水泥浆体凝结时间的影响。本文介绍了确定标准稠度水泥浆体凝结时间的方法,选择不同配比的添加剂的最佳组成,从而加快凝结时间。在这项工作中,作者使用了一种复合改性添加剂,包括碱(氢氧化钠),后醇硬剂(酒精生产废料)和硬化促进剂(石膏)的不同百分比。对比研究了添加剂对凝固时间变化的影响。分析表明,在最佳添加量下,与参比样品相比,凝固时间发生了变化,但在标准范围内。结果表明,复合改性添加剂的组合使用对水泥浆体水化、凝结和硬化过程的影响具有良好的相容机制,可以相互补充和增强添加剂各组分的作用。提高复合改性添加剂在水泥浆体中的浓度,不仅会影响水泥浆体的液化过程,而且会缩短水泥浆体的凝结时间和硬化时间。
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引用次数: 0
Investigation of optical and physico-chemical properties of titanium-doped V₂O₅ nanofilms 钛掺杂V的光学和物理化学性质研究₂O₅ 纳米薄膜
IF 0.7 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2022-11-28 DOI: 10.31643/2023/6445.17
I. Aimbetova, R. Jimenez-Castañeda, J. Clavijo-Blanco, B. Umirov, B. Seitov
In this paper, undoped and Ti-doped V2O5 thin films were fabricated and deposited onto glass substrates using a «doctor blading» method. Then, the effects of Ti-doping on the optical properties of the thin films were investigated. Titanium doping concentration of 0.25-0.75 at.% has been investigated. After treatment in air at different temperatures, the obtained films was characterised by various techniques such as scanning electron microscopy (SEM), X-ray diffraction (XRD) and photoluminescence (PL). It was found that the as-obtained doped films possessed thermochromic properties and optical switching characters. According to optical tests, thin linings of vanadium dioxide alloyed with Ti have optical properties that are effective for application. Because of their capacity to automatically control interior solar irradiation, lower air-conditioning energy consumption, and maintain a comfortable internal thermal climate, smart windows have drawn increased interest in recent years. The doping strategy and integrating with functional coatings can regulate the properties of obtained V2O5 films.
在本文中,使用“刮刀”方法制备了未掺杂和Ti掺杂的V2O5薄膜,并将其沉积在玻璃基板上。然后,研究了Ti掺杂对薄膜光学性能的影响。研究了0.25~0.75at.%的钛掺杂浓度。在不同温度的空气中处理后,通过扫描电子显微镜(SEM)、X射线衍射(XRD)和光致发光(PL)等各种技术对所获得的薄膜进行了表征。结果表明,所制备的掺杂薄膜具有热致变色性能和光开关特性。根据光学测试,钛合金化的二氧化钒薄衬里具有有效应用的光学性能。近年来,由于智能窗户能够自动控制室内太阳能照射,降低空调能耗,并保持舒适的室内热气候,因此越来越受到人们的关注。掺杂策略和与功能涂层的集成可以调节所获得的V2O5薄膜的性能。
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引用次数: 0
Assessment of the stability of the underworked sides and ledges of the quarry to determine the area of possible location of the shaft 对采石场未开挖的侧面和壁架的稳定性进行评估,以确定竖井的可能位置
IF 0.7 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2022-11-28 DOI: 10.31643/2023/6445.20
Sh.B. Zeitinova, Anuar Imashev, A.M. Suimbayaeva, R.H. Alzhanov, D. Makhmudov
As known, the main methods of developing solid minerals are open and underground methods. However, an analysis of the world’s practice of developing deposits of solid minerals also indicates the widespread use of the combined method of development in the last 50-60 years. Combined development of deposits at domestic and foreign mining enterprises is used due to the variable depth of deposits, which is typical mainly for deposits of steep and inclined fall. The essence of the combined development is that the upper horizons are developed in an open way, and the lower ones are developed underground. In such deposits, the following scheme has become widespread: the initial development of the upper section of the deposit by a shallow quarry (up to a depth of 80-100 m, sometimes more), then the construction of an underground mine, carried out in parallel with the completion of the quarry reserves. When opening sub-quarry reserves subject to underground mining, the resulting quarry space can be used. The penetration of vertical and inclined opening workings, tunnels, and exits from the berm sides or directly from the bottom of the quarry has become widespread. In parallel mining of reserves by open and underground methods, the joint use of transport workings is widely used for the delivery of ore mass from the quarry and underground mine, the placement of an underground crushing complex, auxiliary, and repair facilities in the quarry itself. In addition, the method of refining sub-quarry reserves with the opening of the underground part outside the quarry space has been widely used. After the end of open-pit mining, underground horizons are opened by capital mining workings (vertical, inclined shafts, tunnels).
众所周知,开发固体矿物的主要方法是露天和地下方法。然而,对世界开发固体矿产矿床实践的分析也表明,在过去50-60年中,联合开发方法得到了广泛使用。由于矿床深度的变化,国内外矿山企业采用了矿床联合开发,这是典型的,主要针对陡峭和倾斜的矿床。组合开发的本质是上层是露天开发的,下层是地下开发的。在此类矿床中,以下方案已得到广泛应用:浅层采石场对矿床上部进行初步开发(深度可达80-100米,有时更高),然后在完成采石场储量的同时建造地下矿山。当打开地下开采的子采石场储量时,可以使用由此产生的采石场空间。垂直和倾斜的露天工作区、隧道以及从护堤侧或直接从采石场底部的出口的渗透已经变得普遍。在露天和地下开采储量的平行开采中,运输工作的联合使用被广泛用于从采石场和地下矿山输送矿石,在采石场内放置地下破碎综合体、辅助设施和维修设施。此外,通过开放采石场空间外的地下部分来精炼地下采石场储量的方法已被广泛使用。露天开采结束后,通过资本开采工作(垂直、斜井、隧道)打开地下层位。
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引用次数: 0
Study of the mineral composition of promising copper ores of the Republic of Kazakhstan 哈萨克斯坦有前景的铜矿石矿物组成研究
IF 0.7 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2022-11-28 DOI: 10.31643/2023/6445.22
S. Kvon, V. I. Nesterova, A. Omarova, V. Kulikov, Y. Chsherbakova
The article provides a brief overview of the problems of copper production in Kazakhstan. It is shown that the main current problem of copper-smelting production is the involvement of low-grade ores of complex mineral composition. Existing technologies are focused on the processing of ore with higher copper content, accordingly, it is necessary to adjust the existing enrichment and smelting technologies. To determine the mineral composition of some samples of promising copper-bearing ores of the Republic of Kazakhstan, an X-ray phase analysis was carried out. The identification and quantitative calculation of the mineral content were carried out using the DIFFRAC.EVA and DIFFRAC.TOPAS programs. It was shown that the main copper-bearing minerals in the samples are: chalcopyrite, bornite, chalcosiderite - group 1; malachite, lapis lazuli, atacamite, pseudomalachite, brochantite - group 2. The waste rock is represented by the following minerals: quartz, muscovite (mica), chlorite (layered silicate), albite (feldspar), pyrite, calcite, sodalite (feldspathoid), and gypsum. Based on the analysis, the mineral composition of the studied samples was established and a conclusion was made about the dominant nature of the ore. It is shown that in three samples the predominant nature of the ore is sulfide, in one sample it is oxide. The obtained results of the mineral composition and nature of the ore allow us to make practical recommendations on the most effective scheme for ore enrichment and further processing.
本文简要概述了哈萨克斯坦铜生产中存在的问题。研究表明,目前我国铜冶炼生产的主要问题是矿物组成复杂的低品位矿石的掺入。现有技术主要针对铜含量较高的矿石,有必要对现有富集冶炼技术进行调整。为了确定哈萨克斯坦共和国一些有希望的含铜矿石样品的矿物组成,进行了x射线相分析。利用DIFFRAC进行了矿物含量的鉴定和定量计算。EVA和DIFFRAC。TOPAS的程序。结果表明,样品中主要含铜矿物为黄铜矿、斑铜矿、黄铜矿- 1族;孔雀石、青金石、无孔石、假孔雀石、绿橄榄石-第2组。废岩主要矿物有:石英、白云母(云母)、绿泥石(层状硅酸盐)、钠长石(长石)、黄铁矿、方解石、钠长石(长石)和石膏。在此基础上,确定了所研究样品的矿物组成,并得出矿石的优势性质。结果表明,3个样品的优势性质为硫化物,1个样品的优势性质为氧化物。获得的矿物组成和矿石性质的结果使我们能够就最有效的矿石富集和进一步处理方案提出实际建议。
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引用次数: 0
Study of refractory raw materials of the Republic of Kazakhstan 哈萨克斯坦耐火原料的研究
IF 0.7 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2022-11-28 DOI: 10.31643/2023/6445.14
E. A. Sidorina, A. Isagulov, M. Rabatuly, K. Nogaeva
Important aspects of increasing the competitiveness of domestic metallurgy and mechanical engineering are increasing the durability of thermal units and involving non-traditional, cheaper energy resources in production. One of these resources is carbon waste from the aluminum industry - electrode scrap and waste from the carbon lining of electrolyzers. The problem of their use as substitutes for solid fuels (coke coal) in the metallurgical, engineering and energy industries is fluorine- and alkali-containing salts that impregnate them, destroying the traditional lining of thermal units. The development of effective refractories resistant to fluorine- and alkali-containing corrodants (melts and gases) makes it possible to increase the competitiveness and efficiency of thermal units both through the use of cheaper energy carriers and by increasing the duration of their campaign. An important aspect is the simultaneous disposal of hazardous industrial waste and the reduction of the environmental burden on the ecosphere of the Republic of Kazakhstan. The basis for the development of new refractory materials resistant to fluorine- and alkali-containing corrodants is the analysis of the existing raw material base of the Republic of Kazakhstan and the choice of materials that make it possible to obtain aluminosilicate refractories with increased chemical resistance. In the work, the phase and chemical composition of refractory clays and kaolins of the Republic of Kazakhstan were studied, their rheological and thermophysical properties were investigated. Selected raw materials for the development of technology for the production of dense aluminosilicate refractory products.
提高国内冶金和机械工程的竞争力的重要方面是提高热装置的耐久性,并在生产中使用非传统、更便宜的能源。这些资源之一是来自铝工业的碳废料——电极废料和电解槽碳衬里的废料。它们在冶金、工程和能源工业中用作固体燃料(焦煤)的替代品的问题是,含氟和含碱的盐浸渍了它们,破坏了热装置的传统衬里。开发抗含氟和含碱腐蚀剂(熔体和气体)的有效耐火材料,可以通过使用更便宜的能源载体和延长其运行时间,提高热装置的竞争力和效率。一个重要方面是同时处理有害工业废物和减轻哈萨克斯坦共和国生态圈的环境负担。开发耐含氟和碱腐蚀剂的新型耐火材料的基础是分析哈萨克斯坦共和国现有的原料基础和选择材料,从而有可能获得耐化学性更高的铝硅酸盐耐火材料。研究了哈萨克斯坦耐火粘土和高岭土的物相和化学组成,并对其流变学和热物理性质进行了研究。选定原料进行工艺开发,用于生产致密硅酸铝耐火制品。
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引用次数: 0
Flotation processing of copper-containing technogenic raw materials using a composite flotation reagent 复合浮选药剂对含铜工艺原料的浮选处理
IF 0.7 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2022-09-06 DOI: 10.31643/2023/6445.05
L. Semushkina, N. Tussupbayev, D. Turysbekov, S. Narbekova, Z. Kaldybayeva
The article presents the results of laboratory research on the possibility of flotation processing of copper-containing technogenic raw materials. Studies were performed using a sample of copper-containing tailings obtained after the processing of copper ore from the Kazakhstan deposit and a composite flotation reagent. The application of a combination of various collectors allows for raising technological indicators of flotation. The purpose of the research is the increase extraction of copper at flotation of copper-containing technogenic raw materials with the application of a composite reagent. The studied sample of tailings contains 0.23% of copper. A mixture of sodium butyl xanthate and thionocarbamate in the ratio of 1:1 was used as a composite flotation reagent. Parameters of flotation of copper-containing tailings were worked out: degree of regrinding, charges of sodium butyl xanthate, blowing agent T-92, and a composite reagent. Composite flotation reagent was fed into the flotation process of copper-containing tailings in the form of emulsion produced in a T 18 digital ULTRA-TURRAX dispersant. The optimal emulsification time of the composite flotation reagent was 1 min. Without emulsification in the composite reagent the percentage of particles smaller than 1.192 µm is 55.047%. After emulsification of the composite reagent for 1 minute, the percentage of particles smaller than 1.192 μm is 91.134%. In optimum basic mode the rough copper concentrate with a copper content of 4.2% was obtained with the extraction of 61.56%. With the use of a composite reagent, a blister copper concentrate with a copper content of 4.5% and a recovery of 66.54% was obtained. Extraction of copper increases by 4,98%.
本文介绍了含铜工艺原料浮选处理可能性的实验室研究结果。研究使用哈萨克斯坦矿床铜矿石加工后获得的含铜尾矿样品和复合浮选试剂进行。各种捕收剂的组合应用可以提高浮选的技术指标。采用复合药剂提高含铜工艺原料浮选时铜的提取率。尾矿中铜的含量为0.23%。采用丁基黄药钠与硫代氨基甲酸钠按1:1的比例混合作为复合浮选药剂。研究了含铜尾矿浮选工艺参数:再磨度、丁基黄药钠、发泡剂T-92、复合药剂用量。在t18型数字ULTRA-TURRAX分散剂中以乳化液的形式将复合浮选剂加入到含铜尾矿的浮选过程中。复合浮选药剂的最佳乳化时间为1 min。复合药剂中未发生乳化的颗粒小于1.192µm的比例为55.047%。复合试剂乳化1分钟后,粒径小于1.192 μm的颗粒占比为91.134%。在最佳碱式模式下,可获得含铜量为4.2%、浸出率为61.56%的粗铜精矿。采用复合药剂,获得了铜含量为4.5%、铜回收率为66.54%的起泡铜精矿。铜的提取率提高了4.98%。
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引用次数: 1
English Testing of the optimum extragent for solvent-extraction of Almaly deposit copper 溶剂萃取矾铜最佳萃取剂的试验
IF 0.7 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2022-09-06 DOI: 10.31643/2023/6445.06
T. Chepushtanova, M. Yessirkegenov, K. Mamyrbayeva, Y. Merkibayev, A. Nikolosky
For the solvent extraction of copper from pregnant leach solutions, (PLS) a wide range of modern extractants is currently offered on the market, and its choice is a very important issue in the production of copper using the SX-EW (Solvent Extraction and Electrowinning) technology. The purpose of this work was to determine the optimal copper extractant for processing productive solutions of the Almaly deposit using the SX-EW. The studies were carried out with a productive solution obtained by leaching copper ores from the Almaly deposit of composition, g/dm3: 1) Cu– 0.262, Fe–17.97, SiO2–0.36. The results of copper extraction from model solutions showed that the maximum extraction of copper (94%) is observed when using the extractant 5% Acorga 5640, while the other extractants did not provide a high degree of extraction of 10% Lix984 - 93%; 10% Acorga 5640 - 91%; 10% Acorga 5910 and 10% Acorga 5747 - 85% each. According to the results of the retraction process, a high degree of copper extraction from the organic phase (90.2 and more) was ensured when using extractants of 5% Acorga 5640, 10% Lix984, and 10% Acorga 5640, the minimum - at 10% Acorga 5910 (88.2%). For the extraction of copper from the productive solution of the Almaly deposit 5% Acorga 5640 was chosen as the optimal extractant.
对于从浸出液中溶剂萃取铜,(PLS)目前市场上有各种各样的现代萃取剂,其选择是使用SX-EW(溶剂萃取和电积)技术生产铜的一个非常重要的问题。本工作的目的是确定用SX-EW处理铝矾矿生产液的最佳铜萃取剂。研究采用浸出Almaly矿床铜矿石的生产溶液进行,其组成为:1)Cu - 0.262, Fe-17.97, SiO2-0.36。模型溶液中铜的萃取结果表明,5% Acorga 5640萃取剂对铜的萃取率最高(94%),而其他萃取剂对铜的萃取率均不高(10% Lix984 ~ 93%);Acorga 5640 - 91%;10% Acorga 5910和10% Acorga 5747 -各85%。结果表明,采用5% Acorga 5640、10% Lix984和10% Acorga 5640萃取剂时,有机相铜的萃取率最高,达到90.2以上;10% Acorga 5910萃取剂时,铜的萃取率最低,达到88.2%。选择Acorga 5640为最佳萃取剂,萃取率为5%。
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引用次数: 0
Improving the efficiency of methane extraction from coal seams 提高煤层瓦斯抽采效率
IF 0.7 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2022-09-06 DOI: 10.31643/2023/6445.01
M. Rabatuly, R. Musin, V. Demin, S. Usupaev, A. Kenetaeva
This article presents possible reasons for the low productivity of wells for coal methane extraction and ways to resolve them using hydrochloric acid treatment of wells. A common reason for the low productivity of wells is a decrease in the permeability of the bottom-hole formation zone. Starch, calcium carbonate, and drilling rocks, which are part of the drilling mud, change the filtration properties of the layer during the formation of a filtration crust and lead to a decrease in the initial permeability. Hydrochloric acid treatment, during which clay rocks are dissolved, is an effective method of increasing the productivity of wells. It is used to increase pick-up and prevent contamination of the bottom-hole zone of the carbonate formation. The parameters affecting the effectiveness of hydrochloric acid treatments were considered. The results of the experience of the interaction of hydrochloric acid with a clay crust are presented and analyzed using approaches to the mechanics of multiphase media. Dependences of the rate of dissolution of clay rock on the concentration of acid solution are obtained. It is established that the treatment of the productive intermediate layer of the well with hydrochloric acid in a certain concentration, its use increases the technological and economic efficiency of wells. As a result of experimental work, it was found that hydrochloric acid with an HCL concentration above 18% has a negative effect on the internal equipment of the well when processing clay shells.
本文介绍了煤层气采出井产能低的可能原因,以及采用盐酸处理的方法。井底地层渗透率降低是导致油井产能低下的一个常见原因。淀粉、碳酸钙和钻井岩石是钻井泥浆的一部分,它们在形成过滤壳的过程中改变了层的过滤特性,导致初始渗透率降低。盐酸处理是一种有效的提高油井产能的方法,在此过程中会溶解粘土岩。它用于增加吸油量并防止碳酸盐地层底部区域的污染。考虑了影响盐酸处理效果的参数。本文介绍了盐酸与粘土结壳相互作用的实验结果,并用多相介质力学的方法进行了分析。得到了粘土岩溶解速率与酸溶液浓度的关系。采用一定浓度的盐酸对油井生产中间层进行处理,提高了油井的技术经济效益。通过实验工作发现,在处理粘土壳时,HCL浓度大于18%的盐酸对井内设备有负面影响。
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引用次数: 1
Studies of the influence of the composition of the CHM on the properties of the casting 研究了CHM成分对铸件性能的影响
IF 0.7 Q4 METALLURGY & METALLURGICAL ENGINEERING Pub Date : 2022-09-06 DOI: 10.31643/2023/6445.02
A. Isagulov, V. Kulikov, S.S. Кvon, G. Michot, A. Alina
The quality of the finished casting is largely determined by the quality of the mold. Currently, there are a large number of variations in the composition of CHM (cold hardening mixes), differing both in the nature of the main component and in the nature and ratio of binders and other technological additives. As cleaning dust has a very developed surface due to technological reasons. According to various estimates, the specific surface area of gas cleaning dust is from 8, 000 cm2/g and higher. In order to verify this assumption, studies were conducted on the effect of the composition of the mixture using SCF (sand-clay forms), on some of its properties. In conclusion, the conducted studies have shown that in order to ensure the maximum performance of the technological properties of CHM, the optimal content of SCF in the mixture should be 2.0 - 10.0 wt.% in the ratio with orthophosphoric acid is not higher than 1.25.
成品铸件的质量在很大程度上取决于模具的质量。目前,冷硬化混合物的组成有很多变化,主要成分的性质不同,粘合剂和其他技术添加剂的性质和比例也不同。由于技术原因,清洗粉尘的表面非常发达。根据各种估计,气体清洗粉尘的比表面积从8000平方厘米/克以上。为了验证这一假设,对使用SCF(砂-粘土形式)的混合物的组成对其某些特性的影响进行了研究。综上所述,为保证中药材工艺性能的最大发挥,混合物中SCF的最佳含量为2.0 ~ 10.0 wt.%,与正磷酸的比例不高于1.25。
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引用次数: 0
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Kompleksnoe Ispolzovanie Mineralnogo Syra
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