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Volumetric Properties of Cyclic Alanylalanine in Aqueous Solutions of MnCl2, NiCl2 and ZnCl2 at Temperatures T = (293.15 to 313.15) K 温度T = (293.15 ~ 313.15) K时环丙氨酸在MnCl2、NiCl2和ZnCl2水溶液中的体积性质
Pub Date : 2015-02-25 DOI: 10.6000/1929-5030.2015.04.01.4
V. Karanth, D. Bhat
The partial molar volumes, isentropic compressibilities, partial molar isentropic compressions and transfer molar quantities of cyclic alanylalanine in water and in aqueous solutions of MnCl 2 , NiCl 2 and ZnCl 2 were determined using the experimental density and speed of sound values. Refractive indices of all the solutions were recorded to calculate the molar refractions. The molecular interactions existing in the systems have been discussed based on the derived parameters. It has been found that M 2+ -O 2 H bond distances of hydrated cations influence on the volumetric properties of cyclic alanylalanine. Further, the greater effect of hydrophobic hydration has been substantiated by the S v values of least square fits of apparent molar volume against solute molality.
利用实验密度和声速值测定了环丙氨酸在水、MnCl 2、NiCl 2和ZnCl 2水溶液中的偏摩尔体积、等熵压缩率、偏摩尔等熵压缩率和传递摩尔量。记录所有溶液的折射率,计算摩尔折射率。根据导出的参数,讨论了体系中存在的分子相互作用。研究发现,水合阳离子的m2 + - o2氢键距离对环丙烯丙氨酸的体积性能有影响。此外,表观摩尔体积对溶质摩尔浓度的最小二乘拟合的sv值证实了疏水水化的更大影响。
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引用次数: 0
Effect of Operating Conditions of the Extraction Process on the Physical Properties of Lubricating Oil 萃取工艺操作条件对润滑油物理性质的影响
Pub Date : 2015-02-25 DOI: 10.6000/1929-5030.2015.04.01.1
A. Mehrkesh, T. Tavakoli, M. Hatamipour
Lubricating base oil is commonly extracted from lube-oil cut, a petroleum cut, with the use of an aromatic solvent. Aromatic content of the final product is an important criterion specifying the product quality. The aromatic removal process to produce the lubricating oil should be carried out in a Liquid-Liquid extraction column. In a typical solvent extraction process, solvent to feed ratio, solvent and feed temperatures, agitation rate, and settling time could directly affect the yield of extraction. In the current study, the effect of agitation rate and settling time on the yield of extraction was studied. It was found that a settling time of 2hrs and an agitation rate of 430 RPM to be the optimum parameters of the extraction process.
润滑油基础油通常是用芳香溶剂从润滑油中提取出来的。最终产品的芳香族含量是衡量产品质量的重要标准。生产润滑油的芳香去除工艺应在液-液萃取塔中进行。在典型的溶剂萃取工艺中,溶剂与进料比、溶剂与进料温度、搅拌速率和沉淀时间直接影响萃取得率。本实验研究了搅拌速率和沉淀时间对萃取率的影响。结果表明,沉淀时间为2hrs,搅拌速度为430 RPM为提取工艺的最佳参数。
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引用次数: 4
Determination of pKa Values for Acrylic, Methacrylic and Itaconic Acids by 1H and 13C NMR in Deuterated Water 用1H和13C NMR测定氘水中丙烯酸、甲基丙烯酸和衣康酸的pKa值
Pub Date : 2015-02-25 DOI: 10.6000/1929-5030.2015.04.01.2
E. L. Ibarra-Montaño, Norma Rodríguez-Laguna, Aníbal Sánchez-Hernández, A. Rojas-Hernández
Acrylic, methacrylic and itaconic acids have Bronsted acidity given by carboxylic groups, and they are extensively used in polymerization for modification of several soft-mater materials. By this reason it is important to propose better characterization studies and alternatives to obtain more of their physicochemical properties. In this work the pK a values of these acids are obtained by adjusting NMR chemical shifts for hydrogen and carbon nuclei as a function of pH with program HYPNMR, and compared with those obtained by potentiometric and conductometric titrations.
丙烯酸、甲基丙烯酸和衣康酸具有羧基给予的布朗施特酸,它们广泛用于聚合和改性几种软质材料。因此,重要的是提出更好的表征研究和替代品,以获得更多的物理化学性质。在这项工作中,这些酸的pK值是通过调整氢和碳核的核磁共振化学位移作为pH值的函数来获得的,并与电位滴定法和电导滴定法获得的结果进行了比较。
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引用次数: 44
Effects of Metal Ions on H2 Generation during Photolysis of Suspended TiO2 in Aqueous Systems 金属离子对水中悬浮TiO2光解过程中H2生成的影响
Pub Date : 2015-02-25 DOI: 10.6000/1929-5030.2015.04.01.5
G. Dey
Nowadays, photocatalysis is being applied as a promising technique for decontamination, purification, deodorization, etc. of polluted air and wastewaters. This technique attempts also to generate renewable and non-polluting fuels utilizing various carbon and hydrogen sources. In this context, studies on photo-catalytic generation of H 2 using 0.1% w/v TiO 2 photo catalyst as a suspension in water was carried out using 350 nm light. This was explored further in presence of various metal ions such as Ag + , Cu 2+ , Fe 2+ , Au 3+ and V 5+ at different ambient such as air and CO 2 , in presence of a hole scavenger (2-propanol and formic acid). H 2 yields in CO 2 -purged systems as analyzed in GC-TCD were reasonably higher, and increased further when metal ions were added into the systems. Based on H 2 yields, HCOOH was found to be a more supportive hole scavenger as compared to 2-propanol in metal ions containing systems. Besides the formation of low to high concentrations of various gaseous products, nanoparticles of gold, silver and copper were also observed as photolysis products. This indicated that the presence of both reduced metal ions and their in-situ generated nanoparticles at various stages either in the free/unbound and/or associated with TiO 2 photocatalyst in aqueous systems, together play a significant role in enhancing the H 2 yields.
目前,光催化技术作为一种很有前途的净化、除臭、净化空气和废水的技术正在得到广泛的应用。这项技术还试图利用各种碳和氢源产生可再生和无污染的燃料。在此背景下,使用0.1% w/v tio2光催化剂作为悬浮液在水中进行了光催化生成h2的研究。在不同环境(如空气和CO 2)下,在有孔洞清除剂(2-丙醇和甲酸)存在的情况下,进一步研究了各种金属离子(如Ag +、Cu 2+、Fe 2+、Au 3+和v5 +)的存在。GC-TCD分析表明,co2净化体系的H 2产率较高,当加入金属离子时,H 2产率进一步提高。根据h2产率,在含金属离子体系中,与2-丙醇相比,HCOOH是一种更有利的空穴清除剂。除了形成低至高浓度的各种气体产物外,还观察到金、银和铜的纳米颗粒作为光解产物。这表明,还原金属离子及其原位生成的纳米颗粒在不同阶段的存在,无论是在水体系中自由/未结合和/或与tio2光催化剂结合,都对提高h2产率起重要作用。
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引用次数: 0
The Interrelationship between Thermodynamics and Energetics: The True Sense of Equilibrium Thermodynamics 热力学与能量学的相互关系:平衡热力学的真正意义
Pub Date : 2015-02-25 DOI: 10.6000/1929-5030.2015.04.01.3
E. Starikov
The interrelationship between the conventional thermodynamics and energetics has been discussed in detail. A number of flavors has been considered in the field of energetics, with the conclusion that the actual difference among all of them is rather superficial. A need to reconsider the foundations of thermodynamics and statistical physics has been pointed out. Such a re-consideration ought to facilitate formulating thermodynamics at any level of matter organization: from the microscopic through nano- and mesoscopic to the macroscopic one.
详细讨论了常规热力学与能量学之间的相互关系。在能量学领域已经考虑了许多口味,得出的结论是,它们之间的实际差异是相当肤浅的。有人指出需要重新考虑热力学和统计物理的基础。这种重新考虑应该有助于在物质组织的任何水平上制定热力学:从微观到纳米和介观再到宏观。
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引用次数: 3
Pyrrolidinyl Group as Charge Donor for the Excited State Intramolecular Chargetransferin 3-(4-methoxyphenyl)-1-(4-(pyrrolidin-1-yl) phenyl) Prop-2-en-1-one 吡咯烷基作为激发态分子内电荷转移的电荷供体:3-(4-甲氧基苯基)-1-(4-(吡咯烷基-1-基)苯基)Prop-2-en-1-one
Pub Date : 2015-02-25 DOI: 10.6000/1929-5030.2015.04.01.6
N. Mishra, K. Chaudhary, S. Awasthi
The absorption and steady state emission properties of a chemically synthesized chalcone, 3-(4-methoxyphenyl)-1-(4-(pyrrolidin-1-yl) phenyl) prop-2-en-1-one (MPPP) containing asymmetrical donor and acceptor groups has been investigated both experimentally and theoretically. The ground state, MPPP has a significant intramolecular charge transfer (ICT) character and a great sensitivity to the hydrogen bond donating ability of the medium as reflected from the absorption spectra in pure non polar, polar and neutral solvents. On the other hand, its excited singlet state exhibits high ICT characters as manifested by the drastic solvatochromic effects. These results are consistent with the data. The absorption spectra of the compound MPPP undergoes minor changes with increasing polarity of the solvents and the fluorescence spectra experiences a distinct bathochromic shifts in the both position and fluorescence quantum yields, increases reaching a maximum before decrease with increasing the solvent effects. The quantum yields decrease with increase in the solvent polarity. The magnitude of change in the dipole moment was also calculated using Austin Model 1 (AM1). These results suggest that the evidence about the intramolecular charge transfer in the emitting singlet state of this compound. The solvent dependence of quantum yields of MPPP was interpreted on the basis of positive and negative solvatokinetic as well as hydrogen bonding effects. Intramolecular charge (ICT) transfer took place from pyrrolidine nitrogen to α, β unsaturated carbonyl in the ground state.
实验和理论研究了化学合成的3-(4-甲氧基苯基)-1-(4-(吡咯烷-1-基)苯基)丙-2-烯-1-酮查尔酮(MPPP)含不对称供体和受体基团的吸收和稳态发射特性。从纯非极性、极性和中性溶剂的吸收光谱可以看出,基态下MPPP具有显著的分子内电荷转移(ICT)特性,对介质的氢键给予能力非常敏感。另一方面,其激发态单线态表现出高的ICT特性,表现为剧烈的溶剂致变色效应。这些结果与数据一致。化合物MPPP的吸收光谱随溶剂极性的增加变化不大,荧光光谱在位置和荧光量子产率上都有明显的显色位移,随溶剂效应的增加而增大,达到最大值,然后减小。量子产率随溶剂极性的增加而降低。利用Austin Model 1 (AM1)计算了偶极矩的变化幅度。这些结果表明,该化合物在发射单线态下分子内电荷转移的证据。根据正、负溶剂动力学和氢键效应解释了MPPP量子产率的溶剂依赖性。分子内电荷(ICT)从吡咯烷氮转移到基态的α, β不饱和羰基。
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引用次数: 1
The Radical-Chain Addition to Double Molecular Bonds by the Nonbranched-Chain Mechanism: Low-Reactive Free Radicals Shortening Kinetic Chains 非支链机制下自由基链对双分子键的加成:低反应自由基缩短动力学链
Pub Date : 2014-12-17 DOI: 10.6000/1929-5030.2014.03.04.3
M. M. Silaev
Five reaction schemes are suggested for the initiated nonbranched-chain addition of free radicals to the multiple bonds of the unsaturated compounds. The proposed schemes include the reaction competing with chain propagation reactions through a reactive free radical. The chain evolution stage in these schemes involves three or four types of free radicals. One of them is relatively low-reactive and inhibits the chain process by shortening of the kinetic chain length. Based on the suggested schemes, nine rate equations (containing one to three parameters to be determined directly) are deduced using quasi-steady-state treatment. These equations provide good fits for the nonmonotonic (peaking) dependences of the formation rates of the molecular products (1:1 adducts) on the concentration of the unsaturated component in binary systems consisting of a saturated component (hydrocarbon, alcohol, etc.) and an unsaturated component (olefin, allyl alcohol, formaldehyde, or dioxygen). The unsaturated compound in these systems is both a reactant and an autoinhibitor generating low-reactive free radicals. A similar kinetic description is applicable to the nonbranched-chain process of the free-radical hydrogen oxidation, in which the oxygen with the increase of its concentration begins to act as an oxidation autoingibitor (or an antioxidant). The energetics of the key radical-molecule reactions is considered.
针对不饱和化合物的多键自由基引发非支链加成,提出了五种反应方案。提出的方案包括通过活性自由基与链传播反应竞争的反应。这些方案的链演化阶段涉及三到四种类型的自由基。其中一种反应性较低,通过缩短动力学链长来抑制链过程。在此基础上,采用准稳态处理方法推导出9个速率方程(包含1 ~ 3个参数)。在由饱和组分(碳氢化合物、醇等)和不饱和组分(烯烃、烯丙醇、甲醛或二氧)组成的二元体系中,分子产物(1:1加合物)的形成速率与不饱和组分浓度的非单调(峰值)依赖性很好地拟合了。这些体系中的不饱和化合物既是反应物又是自身抑制剂,产生低活性自由基。类似的动力学描述也适用于自由基氢氧化的非支链过程,其中氧随着其浓度的增加开始起氧化自激剂(或抗氧化剂)的作用。考虑了关键的自由基-分子反应的能量学。
{"title":"The Radical-Chain Addition to Double Molecular Bonds by the Nonbranched-Chain Mechanism: Low-Reactive Free Radicals Shortening Kinetic Chains","authors":"M. M. Silaev","doi":"10.6000/1929-5030.2014.03.04.3","DOIUrl":"https://doi.org/10.6000/1929-5030.2014.03.04.3","url":null,"abstract":"Five reaction schemes are suggested for the initiated nonbranched-chain addition of free radicals to the multiple bonds of the unsaturated compounds. The proposed schemes include the reaction competing with chain propagation reactions through a reactive free radical. The chain evolution stage in these schemes involves three or four types of free radicals. One of them is relatively low-reactive and inhibits the chain process by shortening of the kinetic chain length. Based on the suggested schemes, nine rate equations (containing one to three parameters to be determined directly) are deduced using quasi-steady-state treatment. These equations provide good fits for the nonmonotonic (peaking) dependences of the formation rates of the molecular products (1:1 adducts) on the concentration of the unsaturated component in binary systems consisting of a saturated component (hydrocarbon, alcohol, etc.) and an unsaturated component (olefin, allyl alcohol, formaldehyde, or dioxygen). The unsaturated compound in these systems is both a reactant and an autoinhibitor generating low-reactive free radicals. A similar kinetic description is applicable to the nonbranched-chain process of the free-radical hydrogen oxidation, in which the oxygen with the increase of its concentration begins to act as an oxidation autoingibitor (or an antioxidant). The energetics of the key radical-molecule reactions is considered.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"3 1","pages":"202-222"},"PeriodicalIF":0.0,"publicationDate":"2014-12-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77721753","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 1
Solubility of CO2 in Brine and Reservoir Oil for Depleted Reservoirs in China 中国衰竭油藏CO2在盐水和油藏油中的溶解度
Pub Date : 2014-12-17 DOI: 10.6000/1929-5030.2014.03.04.2
Ke Zhang, D. Ma, Shi Li, Xinglong Chen
Many countries play an important role to carbon capture, utilization, and Storage (CCUS) to reduce emission. Geological storage is an important approach to cope with climate change. Live oil combined with saline aquifers and gas reservoirs are among the candidates for carbon dioxide (CO 2 ) sequestration, owing to their proven sealing capabilities and characterization. CO 2 mainly from power industrial was captured to improve oil recovery in some oilfields in China, and solubility is a key factor to evaluate storage ability of reservoir and saline aquifer. In this paper, CO 2 sequestration mechanisms in deplete reservoir and saline aquifer were explained. An experimental method to test solubility of CO 2 in emulsion system of liver oil and brine was developed. The experimental results showed that with the salinity increased, the solubility of CO 2 in reservoir oil increased slightly, and the solubility of CO 2 in brine decreased. Salinity has little impact on solubility of CO 2 in reservoir oil. With the pressure increased, the solubility of CO 2 in reservoir oil and brine both increased. Molecular diameter of reservoir oil and white oil have inverse proportion relationship with the solubility Research on solubility of CO 2 in brine and reservoir oil for depleted reservoir in China enabled us to better predict and deal with the challenges for rapid development of carbon storage.
许多国家在碳捕集、利用与封存(CCUS)方面发挥着重要作用。地质封存是应对气候变化的重要手段。由于已证实的密封能力和特性,与含盐含水层和气藏结合的活油是二氧化碳(co2)封存的候选者。中国部分油田主要捕集来自电力工业的CO 2以提高采收率,溶解度是评价储层和咸水层储集能力的关键因素。本文阐述了枯竭层和含盐层的co2固存机制。提出了一种测定co2在鱼肝油-卤水乳化体系中溶解度的实验方法。实验结果表明,随着矿化度的升高,co2在储层油中的溶解度略有升高,而在盐水中的溶解度下降。盐度对co2在储层油中的溶解度影响不大。随着压力的增大,co2在油藏油和盐水中的溶解度均增大。储层油和白油的分子直径与溶解度成反比关系研究中国衰竭油藏co2在盐水和储层油中的溶解度,可以更好地预测和应对储碳快速发展的挑战。
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引用次数: 0
Comparison of Dissolution Profiles of Furosemide Tablets Available in the Argentinian Market 阿根廷市场上速尿片溶出度的比较
Pub Date : 2014-12-17 DOI: 10.6000/1929-5030.2014.03.04.1
Y. Han, Laura D. Simionato, Romina G. Calvo, M. B. Mattei, A. Segall
In this work dissolution profiles of furosemide tablets of nine commercial products marketed in Argentine were evaluated. All brands fulfill the specifications of dissolution test of USP. Comparison of dissolution profiles were carried out by model-dependent and model independent approaches. Results obtained via model-dependent approach show a first order drug release mechanism especially for Brand I (reference) and Brand IV. Results obtained via model-independent approach show that there was not significant difference in Dissolution efficiency between the reference product and Brands II, III and IV and in Mean dissolution time between the reference product and Brands II, III, IV and V. Using fit factors, only Brands I and III were similar.
本研究对在阿根廷上市的9种商业产品的速尿片的溶出度进行了评价。所有品牌均符合USP溶出度试验的要求。通过模型依赖和模型独立的方法对溶解剖面进行了比较。模型依赖法的结果显示,第一品牌(参比)和第四品牌具有一级药物释放机制。模型独立法的结果显示,参比产品与第二、三、四品牌的溶出效率以及与第二、三、四、五品牌的平均溶出时间均无显著差异。
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引用次数: 5
Nonbranched-Chain Oxidation: Low-Reactive RO•4 and HO•4 1:2 Adduct Radicals Shortening Kinetic Chains 非支链氧化:低反应性RO•4和HO•4 1:2加合自由基缩短动力学链
Pub Date : 2014-12-17 DOI: 10.6000/1929-5030.2014.03.04.5
M. M. Silaev
New reaction scheme is suggested for the initiated nonbranched-chain addition of free radicals to the multiple bond of the molecular oxygen. The scheme includes the reaction competing with chain propagation reactions through a reactive free radical. The chain evolution stage in this scheme involves a few of free radicals, one of which (tetraoxyl) is relatively low-reactive and inhibits the chain process by shortening of the kinetic chain length. Based on the proposed scheme rate equations (containing one to three parameters to be determined directly) are deduced using quasi-steady-state treatment. The kinetic description with use the obtained rate equations is applied to the I³-induced nonbranched-chain processes of the free-radical oxidation of liquid o -xylene at 373 K and hydrogen dissolved in water containing different amounts of oxygen at 296 K. In these processes the oxygen with the increase of its concentration begins to act as an oxidation autoingibitor (or an antioxidant), and the rate of peroxide formation as a function of the dissolved oxygen concentration has a maximum. The heat effects are compared for the overall reactions of dissociation of simple alkylperoxyl (exothermic) and alkoxyl (endothermic) free radicals in the gas phase. Possible nonchain pathways of the free-radical oxidation of hydrogen and the routes of ozone decay from the energetic standpoint via the reaction with the hydroxyl free radical in the upper atmosphere (including the addition yielding the hydrotetraoxyl free radical, which can be an intermediate in the sequence of conversions of biologically hazardous UV radiation energy) were examined. The energetics of the key radical-molecule reactions is considered.
提出了一种新的非支链自由基加成到分子氧多键上的反应方案。该方案包括通过活性自由基与链传播反应竞争的反应。该方案的链演化阶段涉及少量自由基,其中一种自由基(四氧基)反应性较低,通过缩短动力学链长来抑制链过程。在此基础上,采用准稳态处理方法推导了速率方程(包含1 ~ 3个直接确定的参数)。利用所得到的速率方程的动力学描述,应用于373 K时液态邻二甲苯自由基氧化和296 K时含不同氧量的水中氢的非支链反应。在这些过程中,随着氧浓度的增加,氧开始起氧化自燃剂(或抗氧化剂)的作用,过氧化物形成速率作为溶解氧浓度的函数有一个最大值。比较了简单烷基过氧基(放热)和烷基氧基(吸热)自由基在气相中解离总反应的热效应。从能量的角度来看,自由基氧化氢的可能的非链途径和臭氧衰变的途径通过与上层大气中的羟基自由基的反应(包括加成产生氢四氧自由基,它可以是生物有害紫外线辐射能量转换序列的中间物)进行了检查。考虑了关键的自由基-分子反应的能量学。
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引用次数: 1
期刊
Journal of Applied Solution Chemistry and Modeling
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