Pub Date : 2014-12-16DOI: 10.6000/1929-5030.2014.03.04.4
Huang Jingyi, Weihua Zhu, Qiwei Yang, G. Qian, Huabin Xing
Imidazolium-based chloride ionic liquids (ILs) have exhibited remarkable performance in several important applications such as biomass dissolution and extraction, but their large viscosity is a non-negligible problem. Adding molecular co-solvents into chloride ILs is effective in reducing viscosity; nevertheless, understanding of the accompanied change of thermodynamic polarity is quite few. Therefore, in this work we reported three Kamlet-Taft solvatochromic parameters, including dipolarity/polarizability ( ð *), hydrogen-bond acidity ( α ) and hydrogen-bond basicity ( β ), for the binary mixtures of several imidazolium-based chloride ILs plus either dipolar protic solvents (water and methanol) or dipolar aprotic solvents (dimethyl sulfoxide, N , N -dimethylformamide and acetonitrile). The results demonstrated that those parameters could be altered by the structure of IL and type of co-solvent owing to the solute-solvent and solvent-solvent interactions. The structure of alkyl chain of cation had considerable impact on the ð * variation of IL aqueous solution against IL concentration but hardly affected other mixtures. Moreover, remarkable preferential solvation of probes was observed for β and α in the mixtures of IL and dipolar aprotic co-solvents, whereas the hydrogen-bond interactions between IL and dipolar protic co-solvent enabled the preferential solvation to be alleviated and resulted in more linear variation of β and α against the molar fraction of IL. The results not only contribute to a better understanding of the effect of co-solvent on imidazolium-based chloride ILs, but also are instructive for improving the thermodynamic performance of IL-based applications via providing IL+co-solvent mixtures with desirable physicochemical properties.
咪唑基氯离子液体(ILs)在生物质溶解和萃取等重要应用中表现出了显著的性能，但其大粘度是一个不可忽视的问题。在氯离子中加入分子共溶剂可有效降低粘度;然而，对伴随而来的热力学极性变化的认识却很少。因此，在这项工作中，我们报道了三个Kamlet-Taft溶剂变色参数，包括双极性/极化率(ð *)，氢键酸度(α)和氢键碱度(β)，用于几种咪唑基氯离子偶极质子溶剂(水和甲醇)或偶极非质子溶剂(二甲亚砜，N, N -二甲基甲酰胺和乙腈)的二元混合物。结果表明，这些参数会因溶剂-溶剂和溶剂-溶剂的相互作用而受到IL结构和助溶剂类型的影响。烷基阳离子链结构对IL水溶液随IL浓度的变化有较大影响，但对其他混合物影响不大。此外，在偶极非质子共溶剂中，探针对β和α有明显的优先溶剂化作用，而偶极质子共溶剂与IL之间的氢键相互作用使得优先溶剂化作用得到缓解，β和α随IL摩尔分数的线性变化更明显。而且对于通过提供具有理想物理化学性质的IL+共溶剂混合物来改善IL基应用的热力学性能也具有指导意义。
{"title":"Solvatochromic Parameters of the Binary Mixtures of Imidazolium Chloride Ionic Liquid Plus Molecular Solvent","authors":"Huang Jingyi, Weihua Zhu, Qiwei Yang, G. Qian, Huabin Xing","doi":"10.6000/1929-5030.2014.03.04.4","DOIUrl":"https://doi.org/10.6000/1929-5030.2014.03.04.4","url":null,"abstract":"Imidazolium-based chloride ionic liquids (ILs) have exhibited remarkable performance in several important applications such as biomass dissolution and extraction, but their large viscosity is a non-negligible problem. Adding molecular co-solvents into chloride ILs is effective in reducing viscosity; nevertheless, understanding of the accompanied change of thermodynamic polarity is quite few. Therefore, in this work we reported three Kamlet-Taft solvatochromic parameters, including dipolarity/polarizability ( ð *), hydrogen-bond acidity ( α ) and hydrogen-bond basicity ( β ), for the binary mixtures of several imidazolium-based chloride ILs plus either dipolar protic solvents (water and methanol) or dipolar aprotic solvents (dimethyl sulfoxide, N , N -dimethylformamide and acetonitrile). The results demonstrated that those parameters could be altered by the structure of IL and type of co-solvent owing to the solute-solvent and solvent-solvent interactions. The structure of alkyl chain of cation had considerable impact on the ð * variation of IL aqueous solution against IL concentration but hardly affected other mixtures. Moreover, remarkable preferential solvation of probes was observed for β and α in the mixtures of IL and dipolar aprotic co-solvents, whereas the hydrogen-bond interactions between IL and dipolar protic co-solvent enabled the preferential solvation to be alleviated and resulted in more linear variation of β and α against the molar fraction of IL. The results not only contribute to a better understanding of the effect of co-solvent on imidazolium-based chloride ILs, but also are instructive for improving the thermodynamic performance of IL-based applications via providing IL+co-solvent mixtures with desirable physicochemical properties.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"2 1","pages":"223-230"},"PeriodicalIF":0.0,"publicationDate":"2014-12-16","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78250447","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}
Pub Date : 2014-09-18DOI: 10.6000/1929-5030.2014.03.03.2
H. Song, Yin-hui Gong, Xue-Mei Jiang, Chun-Xi Lib
Densities were measured for the binary mixtures of water (methanol or ethanol) and an ionic liquid (IL) 1,3-diethylimidazolium diethylphosphate [EEIM][DEP] or 1-n-butyl-3-ethylimidazolium diethylphosphate [BEIM][DEP] at 1 atm and (293.15 to 333.15) K using a vibrating-tube densimeter. The molecular volume, standard entropy, and lattice energy of the two ILs were estimated with the Glasser theory. The excess volumes are negative for all binary mixtures studied in the whole composition range, and reach to the maximum at the mole fraction of IL being around 0.3. Besides, they decrease with increasing temperature for the aqueous solution of ILs, whilst a reverse trend is found for the IL solutions of methanol or ethanol at any concentration. The excess molar volumes were correlated successfully by a five-parameter polynomial equation as a function of temperature and mole fraction of IL with average absolute relative deviation (ARD) of density within 0.02%.
{"title":"Excess Volume of Binary Mixtures of Water (Methanol or Ethanol) with an Ionic Liquid [EEIM][DEP] or [BEIM][DEP] at 1 atm and (293.15 to 333.15) K","authors":"H. Song, Yin-hui Gong, Xue-Mei Jiang, Chun-Xi Lib","doi":"10.6000/1929-5030.2014.03.03.2","DOIUrl":"https://doi.org/10.6000/1929-5030.2014.03.03.2","url":null,"abstract":"Densities were measured for the binary mixtures of water (methanol or ethanol) and an ionic liquid (IL) 1,3-diethylimidazolium diethylphosphate [EEIM][DEP] or 1-n-butyl-3-ethylimidazolium diethylphosphate [BEIM][DEP] at 1 atm and (293.15 to 333.15) K using a vibrating-tube densimeter. The molecular volume, standard entropy, and lattice energy of the two ILs were estimated with the Glasser theory. The excess volumes are negative for all binary mixtures studied in the whole composition range, and reach to the maximum at the mole fraction of IL being around 0.3. Besides, they decrease with increasing temperature for the aqueous solution of ILs, whilst a reverse trend is found for the IL solutions of methanol or ethanol at any concentration. The excess molar volumes were correlated successfully by a five-parameter polynomial equation as a function of temperature and mole fraction of IL with average absolute relative deviation (ARD) of density within 0.02%.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"17 1","pages":"152-158"},"PeriodicalIF":0.0,"publicationDate":"2014-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82071894","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}
Pub Date : 2014-09-18DOI: 10.6000/1929-5030.2014.03.03.4
F. Ahmadi, K. Sadrjavadi, G. Mohammadi, Amir Separham, M. Barzegar-Jalali, M. Khoubnasabjafari, A. Jouyban
The solubility of paracetamol in N-Methyl-2-pyrrolidone (NMP) + ethanol and NMP + ethanol + water solvent mixtures at 25 °C was determined using the shake flask method. The generated data extended the solubility database of pharmaceuticals and also was used to assess the solubility prediction capability of the Jouyban-Acree model in NMP + ethanol + water mixtures. The accuracy of the predicted solubilities was evaluated by the mean percentage deviation (MPD) between the predicted and experimental solubilities. The MPD of the Jouyban-Acree model for predicting the solubility of paracetamol in NMP + ethanol + water mixtures at 25 °C was 14.6 %.
{"title":"Solubility Prediction of Paracetamol in N-Methyl-2-pyrrolidone + Ethanol + Water Mixtures at 25 C","authors":"F. Ahmadi, K. Sadrjavadi, G. Mohammadi, Amir Separham, M. Barzegar-Jalali, M. Khoubnasabjafari, A. Jouyban","doi":"10.6000/1929-5030.2014.03.03.4","DOIUrl":"https://doi.org/10.6000/1929-5030.2014.03.03.4","url":null,"abstract":"The solubility of paracetamol in N-Methyl-2-pyrrolidone (NMP) + ethanol and NMP + ethanol + water solvent mixtures at 25 °C was determined using the shake flask method. The generated data extended the solubility database of pharmaceuticals and also was used to assess the solubility prediction capability of the Jouyban-Acree model in NMP + ethanol + water mixtures. The accuracy of the predicted solubilities was evaluated by the mean percentage deviation (MPD) between the predicted and experimental solubilities. The MPD of the Jouyban-Acree model for predicting the solubility of paracetamol in NMP + ethanol + water mixtures at 25 °C was 14.6 %.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"18 1","pages":"164-168"},"PeriodicalIF":0.0,"publicationDate":"2014-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"90063228","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}
Pub Date : 2014-09-18DOI: 10.6000/1929-5030.2014.03.03.1
T. Aysu, A. Bengu
Pyrolysis of Cirsium yildizianum samples were carried out in a fixed-bed tubular reactor with (tincal, colemanite and ulexite) and without catalyst catalyst at three different temperatures (350, 450, 550 o C) with a constant heating rate of 50 o C/min. The yields of bio-char, bio-oil and gas produced along with the compositions of the resulting bio-oils were determined by elemental, Fourier transform infrared spectroscopy (FT-IR) and Gas chromatography/ mass spectrometry (GC–MS). The effects of pyrolysis parameters including temperature and catalyst on product yields were investigated. The results indicate that both temperature and catalyst had signficant effect on conversion of Cirsium yildizianum into solid, liquid and gas products. The highest liquid (bio-oil) yield of 40.62% including aqueous phase was obtained in the presence of colemanite (10%) as catalyst at 550 o C. 79 different compounds were identified by GC-MS in bio-oils obtained at 550 o C.
{"title":"Bio-Oil Production from Cirsium yildizianum through Pyrolysis in a Fixed-Bed Reactor","authors":"T. Aysu, A. Bengu","doi":"10.6000/1929-5030.2014.03.03.1","DOIUrl":"https://doi.org/10.6000/1929-5030.2014.03.03.1","url":null,"abstract":"Pyrolysis of Cirsium yildizianum samples were carried out in a fixed-bed tubular reactor with (tincal, colemanite and ulexite) and without catalyst catalyst at three different temperatures (350, 450, 550 o C) with a constant heating rate of 50 o C/min. The yields of bio-char, bio-oil and gas produced along with the compositions of the resulting bio-oils were determined by elemental, Fourier transform infrared spectroscopy (FT-IR) and Gas chromatography/ mass spectrometry (GC–MS). The effects of pyrolysis parameters including temperature and catalyst on product yields were investigated. The results indicate that both temperature and catalyst had signficant effect on conversion of Cirsium yildizianum into solid, liquid and gas products. The highest liquid (bio-oil) yield of 40.62% including aqueous phase was obtained in the presence of colemanite (10%) as catalyst at 550 o C. 79 different compounds were identified by GC-MS in bio-oils obtained at 550 o C.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"16 1","pages":"135-151"},"PeriodicalIF":0.0,"publicationDate":"2014-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82175365","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}
Pub Date : 2014-09-18DOI: 10.6000/1929-5030.2014.03.03.5
Heta A. Patel, Arun L. Patel
Synthesis of N-substituted 1,2,3,4 –tetrahydroisoquinoline derivatives and bis-isoquinoline has been carried out via a Pictet-Spengler condensation. Tetrahydroisoquinolines were obtained from 2-(3’,4’-dimethoxyphenyl) ethylamine in four steps. The entire synthesized compounds were characterized by IR, 1 H NMR and mass spectral data.
{"title":"Synthesis and Characterization of N-Substituted Tetrahydroiso-quinoline Derivatives via a Pictet-Spengler Condensation","authors":"Heta A. Patel, Arun L. Patel","doi":"10.6000/1929-5030.2014.03.03.5","DOIUrl":"https://doi.org/10.6000/1929-5030.2014.03.03.5","url":null,"abstract":"Synthesis of N-substituted 1,2,3,4 –tetrahydroisoquinoline derivatives and bis-isoquinoline has been carried out via a Pictet-Spengler condensation. Tetrahydroisoquinolines were obtained from 2-(3’,4’-dimethoxyphenyl) ethylamine in four steps. The entire synthesized compounds were characterized by IR, 1 H NMR and mass spectral data.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"51 1","pages":"169-174"},"PeriodicalIF":0.0,"publicationDate":"2014-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75584155","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}
Pub Date : 2014-09-18DOI: 10.6000/1929-5030.2014.03.03.3
M. Ibrahim, A. Mahmoud, Osama Osman, Walid El-Hotaby, A. Fakhry, Z. W. Aziz, H. Elhaes
Cellulose is the most abundant biopolymer which is a topic of extensive research work. In this study Fourier Transform Infrared Spectroscopy (FTIR) was utilized to assign the molecular structure of cellulose. B3LYP at 3-21g**, 6-31g** and LANL1DZ then MP2 at 6-31g* levels of theories were conducted to compare the calculated vibrational spectra with the FTIR spectrum. Model molecules of cellulose starting with monomer up to cellulose 18 units were studied with PM3 semiemperical method in order to follow up the effect of polymerization upon some selected physical parameters. Results indicate that final heat of formation and band gap energy have decreased with increasing cellulose units while total dipole moment has increased with increasing cellulose units. It is concluded that the reactivity of cellulose has increased with increasing the units also the unique hydrogen bonding dedicates cellulose to several applications.
{"title":"Modeling and Molecular Spectroscopic Analyses of Cellulose","authors":"M. Ibrahim, A. Mahmoud, Osama Osman, Walid El-Hotaby, A. Fakhry, Z. W. Aziz, H. Elhaes","doi":"10.6000/1929-5030.2014.03.03.3","DOIUrl":"https://doi.org/10.6000/1929-5030.2014.03.03.3","url":null,"abstract":"Cellulose is the most abundant biopolymer which is a topic of extensive research work. In this study Fourier Transform Infrared Spectroscopy (FTIR) was utilized to assign the molecular structure of cellulose. B3LYP at 3-21g**, 6-31g** and LANL1DZ then MP2 at 6-31g* levels of theories were conducted to compare the calculated vibrational spectra with the FTIR spectrum. Model molecules of cellulose starting with monomer up to cellulose 18 units were studied with PM3 semiemperical method in order to follow up the effect of polymerization upon some selected physical parameters. Results indicate that final heat of formation and band gap energy have decreased with increasing cellulose units while total dipole moment has increased with increasing cellulose units. It is concluded that the reactivity of cellulose has increased with increasing the units also the unique hydrogen bonding dedicates cellulose to several applications.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"49 1","pages":"159-163"},"PeriodicalIF":0.0,"publicationDate":"2014-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84383300","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}
Pub Date : 2014-09-18DOI: 10.6000/1929-5030.2014.03.03.6
C. Y. Foo, A. Mohamed, Keat-Teong Lee, D. Irvan
Calcium oxide (CaO) sorbents have been recently used for removal of CO 2 gases in fossil fuel-fired power plant. However, there are some limitations of CaO in CO 2 capturing such as rapid loss of activity during the capture cycles, which is a result of sintering, attrition, and consequent elutriation. Therefore, this paper has demonstrated a novel synthesis method to produce CaO at room temperature to avoid abovementioned drawbacks. In addition, introduction of ionic surfactant of sodium dodecyl sulfate to the CaO formation solution has shown a positive result of formation of homogeneous spherical particle with a mean Z-average diameter of 345.2 nm and polydispersion index (PDI) of 0.335 by dynamical light scattering measurement. Subjected to a high calcination temperature of 1200 o C, developed CaO is able to maintain a CO 2 uptake capacity of 0.1025 g CO2 /g sorbent under 30 minutes of carbonation time. Despite its lower CO 2 uptake capacity compared to maximum theoretical limit of 0.78 g CO2/gsorbent , CaO particles is able to withstand a high calcination temperature of 1200 o C and reported a particle size distribution ranged from 0.4 - 1.2µm after calcination which is just slightly larger than fresh developed CaO. Given that such small narrow distributed size of CaO, developed CaO at room temperature is good for packed-bed reactor in calcium looping processes and more studies are required to find a suitable support for fluidized bed reactor type. This successful synthesis story of CaO particle at room temperature has unraveled the possibility to develop nanosized CaO at room temperature in order to achieve high CO 2 uptake capacity while enjoying its superior thermal stability over multiple carbonation/calcination cycles.
近年来，氧化钙(CaO)吸附剂被广泛应用于燃煤电厂的co2脱除。然而，CaO在co2捕获中存在一些局限性，例如在捕获周期中活性的快速损失，这是烧结，磨损和随后的洗脱的结果。因此，本文展示了一种在室温下合成CaO的新方法，以避免上述缺点。此外，将离子表面活性剂十二烷基硫酸钠引入到CaO形成溶液中，通过动态光散射测量，形成了平均z -平均直径为345.2 nm，多色散指数(PDI)为0.335的均匀球形颗粒。经过1200℃的高温煅烧，焙烧后的CaO在30分钟的碳化时间内仍能保持0.1025 g CO2 /g吸附剂的CO2吸收量。尽管CaO颗粒的CO2吸收能力低于理论上限0.78 g CO2/吸附剂，但CaO颗粒能够承受1200℃的高温，煅烧后的粒径分布范围为0.4 - 1.2µm，仅略大于新开发的CaO。由于CaO的分布尺寸小且窄，在室温条件下制备的CaO有利于填充床反应器的钙环化工艺，需要更多的研究来寻找合适的流化床反应器类型的载体。这个在室温下成功合成CaO颗粒的故事，揭示了在室温下开发纳米级CaO的可能性，以获得高的CO 2吸收能力，同时在多次碳化/煅烧循环中享有优越的热稳定性。
{"title":"Surfactant Assisted Synthesis of Homogeneous Calcium Based CO2 Sorbent at Room Temperature","authors":"C. Y. Foo, A. Mohamed, Keat-Teong Lee, D. Irvan","doi":"10.6000/1929-5030.2014.03.03.6","DOIUrl":"https://doi.org/10.6000/1929-5030.2014.03.03.6","url":null,"abstract":"Calcium oxide (CaO) sorbents have been recently used for removal of CO 2 gases in fossil fuel-fired power plant. However, there are some limitations of CaO in CO 2 capturing such as rapid loss of activity during the capture cycles, which is a result of sintering, attrition, and consequent elutriation. Therefore, this paper has demonstrated a novel synthesis method to produce CaO at room temperature to avoid abovementioned drawbacks. In addition, introduction of ionic surfactant of sodium dodecyl sulfate to the CaO formation solution has shown a positive result of formation of homogeneous spherical particle with a mean Z-average diameter of 345.2 nm and polydispersion index (PDI) of 0.335 by dynamical light scattering measurement. Subjected to a high calcination temperature of 1200 o C, developed CaO is able to maintain a CO 2 uptake capacity of 0.1025 g CO2 /g sorbent under 30 minutes of carbonation time. Despite its lower CO 2 uptake capacity compared to maximum theoretical limit of 0.78 g CO2/gsorbent , CaO particles is able to withstand a high calcination temperature of 1200 o C and reported a particle size distribution ranged from 0.4 - 1.2µm after calcination which is just slightly larger than fresh developed CaO. Given that such small narrow distributed size of CaO, developed CaO at room temperature is good for packed-bed reactor in calcium looping processes and more studies are required to find a suitable support for fluidized bed reactor type. This successful synthesis story of CaO particle at room temperature has unraveled the possibility to develop nanosized CaO at room temperature in order to achieve high CO 2 uptake capacity while enjoying its superior thermal stability over multiple carbonation/calcination cycles.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"32 1","pages":"175-185"},"PeriodicalIF":0.0,"publicationDate":"2014-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75237096","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}
Pub Date : 2014-06-05DOI: 10.6000/1929-5030.2014.03.02.9
A. Deo, M. Agrawal
Excess molar volumes have been measured by means of a dilatometer for tetrachloroethylene (TCE) +acetyl acetone, + acrylonitrile, +anisole and+ tetrahydrofuran at 303.15 K. V E m values are positive over the entire range of composition for TCEanisole and TCE – acetyl acetone and negative for TCETetrahydrofuran. For TCE – acrylontrile, V E m has been found to be negative up to x = 0.8379 and positive onward. Values of Vm E for the various systems have been fitted by the method of least squares with smoothing equation, and have been discussed from the viewpoint of the existence of specific interactions between the components.
在303.15 K下，用膨胀计测量了四氯乙烯(TCE) +乙酰丙酮、+丙烯腈、+苯甲醚和+四氢呋喃的过量摩尔体积。在整个组成范围内，tce1和TCE -乙酰丙酮的V - E - m值为正，而tce4氢呋喃的V - E - m值为负。对于TCE -丙烯腈，V E m在x = 0.8379之前为负，之后为正。用平滑方程的最小二乘法拟合了各系统的vme值，并从各组分之间存在特定相互作用的观点进行了讨论。
{"title":"Excess Molar Volume of Binary Mixtures of Tetrachloroethylene + Acetylacetone, + Acrylonitrile, + Anisole and + Tetrahydrofuran at 303.15 K","authors":"A. Deo, M. Agrawal","doi":"10.6000/1929-5030.2014.03.02.9","DOIUrl":"https://doi.org/10.6000/1929-5030.2014.03.02.9","url":null,"abstract":"Excess molar volumes have been measured by means of a dilatometer for tetrachloroethylene (TCE) +acetyl acetone, + acrylonitrile, +anisole and+ tetrahydrofuran at 303.15 K. V E m values are positive over the entire range of composition for TCEanisole and TCE – acetyl acetone and negative for TCETetrahydrofuran. For TCE – acrylontrile, V E m has been found to be negative up to x = 0.8379 and positive onward. Values of Vm E for the various systems have been fitted by the method of least squares with smoothing equation, and have been discussed from the viewpoint of the existence of specific interactions between the components.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"22 1","pages":"130-134"},"PeriodicalIF":0.0,"publicationDate":"2014-06-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"91037901","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}
Pub Date : 2014-06-02DOI: 10.6000/1929-5030.2014.03.02.3
C. Lafuente, M. C. López, H. Artigas, D. Montaño
Refractive indices of the binary mixtures containing an isomer of chlorobutane (1-chlorobutane, 2-chlorobutane, 2-methyl-1-chloropropane, or 2-methyl-2-chloropropane) and butyl ethyl ether have been measured at seven temperatures from T = 283.15 to 313.15 K From these data refractive index deviations were calculated and correlated with a Redlich-Kister polynomial expansion. The refractive index deviations were found positive. Finally, from these refractive indices both densities and surface tensions of the studied systems were predicted and compared with previously reported values.
{"title":"Refractive Properties of Binary Mixtures Formed by an Isomer of Chlorobutane and Butyl Ethyl Ether","authors":"C. Lafuente, M. C. López, H. Artigas, D. Montaño","doi":"10.6000/1929-5030.2014.03.02.3","DOIUrl":"https://doi.org/10.6000/1929-5030.2014.03.02.3","url":null,"abstract":"Refractive indices of the binary mixtures containing an isomer of chlorobutane (1-chlorobutane, 2-chlorobutane, 2-methyl-1-chloropropane, or 2-methyl-2-chloropropane) and butyl ethyl ether have been measured at seven temperatures from T = 283.15 to 313.15 K From these data refractive index deviations were calculated and correlated with a Redlich-Kister polynomial expansion. The refractive index deviations were found positive. Finally, from these refractive indices both densities and surface tensions of the studied systems were predicted and compared with previously reported values.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"130 1","pages":"58-64"},"PeriodicalIF":0.0,"publicationDate":"2014-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86768673","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}
Pub Date : 2014-06-02DOI: 10.6000/1929-5030.2014.03.02.6
V. M. Vlasov
Variation of the activation parameters for the aminolysis in the S N 2, acyl-transfer, S N Ar and Ad N reactions offers an additive mechanistic tool for the studies of these reactions in solution. This approach uses the substituent effects on the benzene and pyridine rings to the variation of the activation parameters, I” X ≠( X = H , S , G ), in the above reactions in the frameworks of the Hammett – like equations in order to evaluate the resultant I´I” X ≠reaction constants. The single linear dependences of the internal enthalpy constants I´I” H ≠int on the I´I” G ≠and the Hammett I constants show that the substituent effects in the leaving and nonleaving groups and nucleophiles on the mechanistic features in aminolysis of bimolecular nucleophilic reactions are governed by the magnitude of I´I” H ≠int when one of the steps of the process is the single rate-determining step.
{"title":"Substituent Effects on the Activation Parameter Changes for the Aminolysis in the Bimolecular Nucleophilic Reactions in Solution","authors":"V. M. Vlasov","doi":"10.6000/1929-5030.2014.03.02.6","DOIUrl":"https://doi.org/10.6000/1929-5030.2014.03.02.6","url":null,"abstract":"Variation of the activation parameters for the aminolysis in the S N 2, acyl-transfer, S N Ar and Ad N reactions offers an additive mechanistic tool for the studies of these reactions in solution. This approach uses the substituent effects on the benzene and pyridine rings to the variation of the activation parameters, I” X ≠( X = H , S , G ), in the above reactions in the frameworks of the Hammett – like equations in order to evaluate the resultant I´I” X ≠reaction constants. The single linear dependences of the internal enthalpy constants I´I” H ≠int on the I´I” G ≠and the Hammett I constants show that the substituent effects in the leaving and nonleaving groups and nucleophiles on the mechanistic features in aminolysis of bimolecular nucleophilic reactions are governed by the magnitude of I´I” H ≠int when one of the steps of the process is the single rate-determining step.","PeriodicalId":15165,"journal":{"name":"Journal of Applied Solution Chemistry and Modeling","volume":"40 1","pages":"81-93"},"PeriodicalIF":0.0,"publicationDate":"2014-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75142286","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}
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