Density, refractive index, speed of sound, and viscosity have been measured of binary mixture dimethylsulfoxide (DMSO)
测定了二元混合二甲基亚砜(DMSO)的密度、折射率、声速和粘度。
{"title":"Thermo Physical Properties for Binary Mixture of Dimethylsulfoxide and Isopropylbenzene at Various Temperatures","authors":"M. Kumar, V. K. Rattan","doi":"10.1155/2013/353841","DOIUrl":"https://doi.org/10.1155/2013/353841","url":null,"abstract":"Density, refractive index, speed of sound, and viscosity have been measured of binary mixture dimethylsulfoxide (DMSO)","PeriodicalId":17290,"journal":{"name":"Journal of Thermodynamics","volume":"37 1","pages":"1-7"},"PeriodicalIF":0.0,"publicationDate":"2013-04-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"80589846","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}
The three-parameter Lennard-Jones potential function is proposed to calculate thermodynamic property (second virial coefficient) and transport properties (viscosity, thermal conductivity, and diffusion coefficient) of noble gases (He, Ne, Ar, Kr, and Xe) and their mixtures at low density. Empirical modification is made by introducing a reduced temperature-correction parameter to the Lennard-Jones potential function for this purpose. Potential parameters ( , , and ) are determined individually for each species when the second virial coefficient and viscosity data are fitted together within the experimental uncertainties. Calculated thermodynamic and transport properties are compared with experimental data by using a single set of parameters. The present study yields parameter sets that have more physical significance than those of second virial coefficient methods and is more discriminative than the existing transport property methods in most cases of pure gases and of gas mixtures. In particular, the proposed model is proved with better results than those of the two-parameter Lennard-Jones potential, Kihara Potential with group contribution concepts, and other existing methods.
{"title":"Modified Lennard-Jones Potentials with a Reduced Temperature-Correction Parameter for Calculating Thermodynamic and Transport Properties: Noble Gases and Their Mixtures (He, Ne, Ar, Kr, and Xe)","authors":"Seung-Kyo Oh","doi":"10.1155/2013/828620","DOIUrl":"https://doi.org/10.1155/2013/828620","url":null,"abstract":"The three-parameter Lennard-Jones <path id=\"x36\" d=\"M137 343l67 33q37 17 63 17q79 0 129.5 -53t50.5 -131q0 -92 -58 -156.5t-147 -64.5t-147 68t-58 182q0 63 17 119t43 95.5t61.5 72t69 52t67.5 31.5q62 22 128 33l6 -32q-56 -11 -108 -35q-149 -71 -184 -231zM227 337q-47 0 -95 -27q-6 -23 -6 -70q0 -93 36 -155.5\u0000t96 -62.5q53 0 78 45.5t25 105.5q0 68 -35 116t-99 48z\" /> potential function is proposed to calculate thermodynamic property (second virial coefficient) and transport properties (viscosity, thermal conductivity, and diffusion coefficient) of noble gases (He, Ne, Ar, Kr, and Xe) and their mixtures at low density. Empirical modification is made by introducing a reduced temperature-correction parameter <path id=\"x1D70F\" d=\"M471 456q-22 -60 -37 -85q-20 -3 -84 -3q-9 0 -29 2t-29 2q-38 -145 -54 -234q-15 -80 14 -80q23 0 68 38l14 -25q-78 -83 -137 -83q-50 0 -50 64q0 25 7 57l67 266q-57 4 -98 -9t-80 -49l-20 21q14 18 27 31t36.5 30t56.5 26t73 9q26 0 82.5 -2t89.5 -2q21 0 32 5t24 24\u0000z\" /> to the Lennard-Jones potential function for this purpose. Potential parameters ( <path id=\"x1D70E\" d=\"M548 455q-32 -77 -74 -77q-37 0 -103 10l-3 -2q36 -30 48.5 -62t12.5 -80q0 -103 -75 -179.5t-175 -76.5q-70 0 -113 45t-43 128q0 115 83.5 200.5t209.5 85.5q31 0 77.5 -4t67.5 -4q36 0 62 30zM350 274q0 54 -17 86q-19 35 -57 35q-50 0 -90 -37.5t-59 -91.5t-19 -109\u0000q0 -61 24.5 -96.5t65.5 -35.5q51 0 87.5 46.5t50.5 100.5t14 102z\" /> , <path id=\"x1D700\" d=\"M387 375q0 -16 -17 -31t-29 -15q-9 0 -12 13q-13 74 -80 74q-36 0 -61 -24.5t-25 -56.5t24 -51.5t68 -19.5q33 0 47 2l2 -7l-32 -42q-20 2 -54 2q-45 0 -74 -21.5t-29 -60.5q0 -41 28 -65.5t73 -24.5q78 0 145 67l17 -23q-33 -47 -84.5 -75t-111.5 -28q-70 0 -114.5 35.5\u0000t-44.5 92.5q0 46 38 78t95 45v2q-35 10 -54.5 33t-19.5 52q0 55 53 88.5t122 33.5q67 0 98.5 -23.5t31.5 -49.5z\" /> , and ) are determined individually for each species when the second virial coefficient and viscosity data are fitted together within the experimental uncertainties. Calculated thermodynamic and transport properties are compared with experimental data by using a single set of parameters. \u0000The present study yields parameter sets that have more physical significance than those of second virial coefficient methods and is more discriminative than the existing transport property methods in most cases of pure gases and of gas mixtures. In particular, the proposed model is proved with better results than those of the two-parameter Lennard-Jones potential, Kihara Potential with group contribution concepts, and other existing methods.","PeriodicalId":17290,"journal":{"name":"Journal of Thermodynamics","volume":"61 1","pages":"1-29"},"PeriodicalIF":0.0,"publicationDate":"2013-04-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82688145","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}
Speeds of sound and density for binary mixtures of ethyl benzoate (EB) with N,N-dimethylformamide (NNDMF), N,N-dimethyl acetamide (NNDMAc), and N,N-dimethylaniline (NNDMA) were measured as a function of mole fraction at temperatures 303.15, 308.15 K, 313.15 K, and 318.15 K and atmospheric pressure. From the experimental data, adiabatic compressibility (), intermolecular free length (), and molar volume () have been computed. The excess values of the above parameters were also evaluated and discussed in light of molecular interactions. Deviation in adiabatic compressibilities and excess intermolecular free length () are found to be negative over the molefraction of ethyl benzoate indicating the presence of strong interactions between the molecules. The negative excess molar volume values are attributed to strong dipole-dipole interactions between unlike molecules in the mixtures. The binary data of , , and were correlated as a function of molefraction by using the Redlich-Kister equation.
{"title":"Thermodynamic and Acoustic Study on Molecular Interactions in Certain Binary Liquid Systems Involving Ethyl Benzoate","authors":"B. Nagarjun, A. Sarma, G. R. Rao, C. Rambabu","doi":"10.1155/2013/285796","DOIUrl":"https://doi.org/10.1155/2013/285796","url":null,"abstract":"Speeds of sound and density for binary mixtures of ethyl benzoate (EB) with N,N-dimethylformamide (NNDMF), N,N-dimethyl acetamide (NNDMAc), and N,N-dimethylaniline (NNDMA) were measured as a function of mole fraction at temperatures 303.15, 308.15 K, 313.15 K, and 318.15 K and atmospheric pressure. From the experimental data, adiabatic compressibility (), intermolecular free length (), and molar volume () have been computed. The excess values of the above parameters were also evaluated and discussed in light of molecular interactions. Deviation in adiabatic compressibilities and excess intermolecular free length () are found to be negative over the molefraction of ethyl benzoate indicating the presence of strong interactions between the molecules. The negative excess molar volume values are attributed to strong dipole-dipole interactions between unlike molecules in the mixtures. The binary data of , , and were correlated as a function of molefraction by using the Redlich-Kister equation.","PeriodicalId":17290,"journal":{"name":"Journal of Thermodynamics","volume":"170 1","pages":"1-9"},"PeriodicalIF":0.0,"publicationDate":"2013-03-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"77750384","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}
This paper reports an analytical study of the second law in the case of gas absorption into a laminar falling viscous incompressible liquid film. Velocity, temperature, and concentration profiles are determined and used for the entropy generation calculation. Irreversibilities due to heat transfer, fluid friction, and coupling effects between heat and mass transfer are derived. The obtained results show that entropy generation is mainly due to coupling effects between heat and mass transfer near the gas-liquid interface. Total irreversibility is minimum at the diffusion film thickness. On approaching the liquid film thickness, entropy generation is mainly due to viscous irreversibility.
{"title":"Second Law Analysis of a Gas-Liquid Absorption Film","authors":"Nejib Hidouri, Imen Chermiti, A. Brahim","doi":"10.1155/2013/909162","DOIUrl":"https://doi.org/10.1155/2013/909162","url":null,"abstract":"This paper reports an analytical study of the second law in the case of gas absorption into a laminar falling viscous incompressible liquid film. Velocity, temperature, and concentration profiles are determined and used for the entropy generation calculation. Irreversibilities due to heat transfer, fluid friction, and coupling effects between heat and mass transfer are derived. The obtained results show that entropy generation is mainly due to coupling effects between heat and mass transfer near the gas-liquid interface. Total irreversibility is minimum at the diffusion film thickness. On approaching the liquid film thickness, entropy generation is mainly due to viscous irreversibility.","PeriodicalId":17290,"journal":{"name":"Journal of Thermodynamics","volume":"35 1","pages":"1-10"},"PeriodicalIF":0.0,"publicationDate":"2013-02-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"87776794","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}
We revisit the problem of optimal power extraction in four-step cycles (two adiabatic and two heat-transfer branches) when the finite-rate heat transfer obeys a linear law and the heat reservoirs have finite heat capacities. The heat-transfer branch follows a polytropic process in which the heat capacity of the working fluid stays constant. For the case of ideal gas as working fluid and a given switching time, it is shown that maximum work is obtained at Curzon-Ahlborn efficiency. Our expressions clearly show the dependence on the relative magnitudes of heat capacities of the fluid and the reservoirs. Many previous formulae, including infinite reservoirs, infinite-time cycles, and Carnot-like and non-Carnot-like cycles, are recovered as special cases of our model.
{"title":"Maximum Power Point Characteristics of Generalized Heat Engines with Finite Time and Finite Heat Capacities","authors":"A. Khanna, R. Johal","doi":"10.1155/2012/246914","DOIUrl":"https://doi.org/10.1155/2012/246914","url":null,"abstract":"We revisit the problem of optimal power extraction in four-step cycles (two adiabatic and two heat-transfer branches) when the finite-rate heat transfer obeys a linear law and the heat reservoirs have finite heat capacities. The heat-transfer branch follows a polytropic process in which the heat capacity of the working fluid stays constant. For the case of ideal gas as working fluid and a given switching time, it is shown that maximum work is obtained at Curzon-Ahlborn efficiency. Our expressions clearly show the dependence on the relative magnitudes of heat capacities of the fluid and the reservoirs. Many previous formulae, including infinite reservoirs, infinite-time cycles, and Carnot-like and non-Carnot-like cycles, are recovered as special cases of our model.","PeriodicalId":17290,"journal":{"name":"Journal of Thermodynamics","volume":"220 1","pages":"1-7"},"PeriodicalIF":0.0,"publicationDate":"2012-12-20","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86681147","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}
CFD investigation was carried out to study the heat transfer enhancement characteristics of air flow inside a circular tube with a partially decaying and partly swirl flow. Four combinations of tube with twisted-tape inserts, the half-length upstream twisted-tape condition (HLUTT), the half-length downstream twisted-tape condition (HLDTT), the full-length twisted tape (FLTT), and the plain tube (PT) with three different twist parameters (, 0.27, and 0.38) have been investigated. 3D numerical simulation was performed for an analysis of heat transfer enhancement and fluid flow for turbulent regime. The results of CFD investigations of heat transfer and friction characteristics are presented for the FLTT, HLUTT, and the HLDTT in comparison with the PT case.
{"title":"CFD Analysis for Heat Transfer Enhancement inside a Circular Tube with Half-Length Upstream and Half-Length Downstream Twisted Tape","authors":"Rupesh Yadav, A. Padalkar","doi":"10.1155/2012/580593","DOIUrl":"https://doi.org/10.1155/2012/580593","url":null,"abstract":"CFD investigation was carried out to study the heat transfer enhancement characteristics of air flow inside a circular tube with a partially decaying and partly swirl flow. Four combinations of tube with twisted-tape inserts, the half-length upstream twisted-tape condition (HLUTT), the half-length downstream twisted-tape condition (HLDTT), the full-length twisted tape (FLTT), and the plain tube (PT) with three different twist parameters (, 0.27, and 0.38) have been investigated. 3D numerical simulation was performed for an analysis of heat transfer enhancement and fluid flow for turbulent regime. The results of CFD investigations of heat transfer and friction characteristics are presented for the FLTT, HLUTT, and the HLDTT in comparison with the PT case.","PeriodicalId":17290,"journal":{"name":"Journal of Thermodynamics","volume":"69 1","pages":"1-12"},"PeriodicalIF":0.0,"publicationDate":"2012-12-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"82392095","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}
The temperature dependence of the 501 cm−1 frequency of the vibrational mode is analyzed for SiO2-moganite. The experimental data for the heating and cooling cycles of moganite from the literature is used for our analysis. The coexistence of α-β moganite is obtained over a finite temperature interval, and the α-β moganite transition at around 570 K is studied, as observed experimentally.
{"title":"Temperature Dependence of the Raman Frequency of an Internal Mode for SiO2-Moganite Close to the α-β Transition","authors":"M. Lider, H. Yurtseven","doi":"10.1155/2012/892696","DOIUrl":"https://doi.org/10.1155/2012/892696","url":null,"abstract":"The temperature dependence of the 501 cm−1 frequency of the vibrational mode is analyzed for SiO2-moganite. The experimental data for the heating and cooling cycles of moganite from the literature is used for our analysis. The coexistence of α-β moganite is obtained over a finite temperature interval, and the α-β moganite transition at around 570 K is studied, as observed experimentally.","PeriodicalId":17290,"journal":{"name":"Journal of Thermodynamics","volume":"26 1","pages":"1-4"},"PeriodicalIF":0.0,"publicationDate":"2012-12-09","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"75985361","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}
In the present study analytical solution for forced convection heat transfer in a circular duct with a special boundary condition has been presented, because the external wall temperature is a periodic function of axial direction. Local energy balance equation is written with reference to the fully developed regime. Also governing equations are two-dimensionally solved, and the effect of duct wall thickness has been considered. The temperature distribution of fluid and solid phases is assumed as a periodic function of axial direction and finally temperature distribution in the flow field, solid wall, and local Nusselt number, is obtained analytically.
{"title":"Two-Dimensional Analytical Solution of the Laminar Forced Convection in a Circular Duct with Periodic Boundary Condition","authors":"M. Astaraki, N. G. Tabari","doi":"10.1155/2012/879390","DOIUrl":"https://doi.org/10.1155/2012/879390","url":null,"abstract":"In the present study analytical solution for forced convection heat transfer in a circular duct with a special boundary condition has been presented, because the external wall temperature is a periodic function of axial direction. Local energy balance equation is written with reference to the fully developed regime. Also governing equations are two-dimensionally solved, and the effect of duct wall thickness has been considered. The temperature distribution of fluid and solid phases is assumed as a periodic function of axial direction and finally temperature distribution in the flow field, solid wall, and local Nusselt number, is obtained analytically.","PeriodicalId":17290,"journal":{"name":"Journal of Thermodynamics","volume":"876 1","pages":"1-6"},"PeriodicalIF":0.0,"publicationDate":"2012-11-29","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72664957","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}
We examine here the validity of the Pippard relations close to the melting point in the premelting region of hexadecane. For this verification, we analyze the observed data for the thermal expansivity obtained for various pressures at constant temperatures of 302 and 325 K in this system. By calculating the isothermal compressibility and the specific heat in the same pressure region of the premelting region of hexadecane, we obtain that varies linearly with and also that varies linearly with for this system. This indicat es that some molecular organic compounds, such as solid hexadecane studied here, can exhibit -phase transitions prior to melting which are expected to verify the Pippard relations.
{"title":"Pippard Relations Close to the Melting Point in the Premelting Region of Hexadecane","authors":"H. Yurtseven, Özcan Tilki, M. Kurt","doi":"10.1155/2012/892913","DOIUrl":"https://doi.org/10.1155/2012/892913","url":null,"abstract":"We examine here the validity of the Pippard relations close to the melting point in the premelting region of hexadecane. For this verification, we analyze the observed data for the thermal expansivity obtained for various pressures at constant temperatures of 302 and 325 K in this system. By calculating the isothermal compressibility and the specific heat in the same pressure region of the premelting region of hexadecane, we obtain that varies linearly with and also that varies linearly with for this system. This indicat es that some molecular organic compounds, such as solid hexadecane studied here, can exhibit -phase transitions prior to melting which are expected to verify the Pippard relations.","PeriodicalId":17290,"journal":{"name":"Journal of Thermodynamics","volume":"28 1","pages":"1-6"},"PeriodicalIF":0.0,"publicationDate":"2012-11-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78050980","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}
M. Taghdiri, M. Payehghadr, R. Behjatmanesh-Ardakani, Homa Gha'ari
The complexation reactions between aza-18-crown-6 (A18C6) and Co 2+, Ni 2+, Cu 2+, and Zn 2+ ions were studied conductometrically in different acetonitrile-methanol mixtures at various temperatures. The formation constants of the resulting 1 : 1 complexes were calculated from the computer fitting of the molar conductance-mole ratio data at different temperatures. Selectivity of A18C6 for Co 2+, Ni 2+, Cu 2+, and Zn 2+ cations is sensitive to the solvent composition. At 20°C and in acetonitrile solvent, the stability of the resulting complexes varied in the order but the order was reversed byadding 20% methanol. The enthalpy and entropy changes of the complexation reactions were evaluated from the temperature dependence of formation constants. It was found that the stability of the resulting complexes decreased with increasing methanol in the solvent mixture. The TΔS° versus ΔH° plot of thermodynamic data obtained shows a fairly good linear correlation indicating the existence of enthalpy-entropy compensation in the complexation reactions. In addition, binding energies of Ni 2+, Cu 2+, and Zn 2+ complexes with A18C6 were calculated at B3LYP/6-31G level of theory.
{"title":"Conductometric Studies of Thermodynamics of Complexation of Co2+, Ni2+, Cu2+, and Zn2+ Cations with Aza-18-crown-6 in Binary Acetonitrile-Methanol Mixtures","authors":"M. Taghdiri, M. Payehghadr, R. Behjatmanesh-Ardakani, Homa Gha'ari","doi":"10.1155/2012/109132","DOIUrl":"https://doi.org/10.1155/2012/109132","url":null,"abstract":"The complexation reactions between aza-18-crown-6 (A18C6) and Co 2+, Ni 2+, Cu 2+, and Zn 2+ ions were studied conductometrically in different acetonitrile-methanol mixtures at various temperatures. The formation constants of the resulting 1 : 1 complexes were calculated from the computer fitting of the molar conductance-mole ratio data at different temperatures. Selectivity of A18C6 for Co 2+, Ni 2+, Cu 2+, and Zn 2+ cations is sensitive to the solvent composition. At 20°C and in acetonitrile solvent, the stability of the resulting complexes varied in the order <path id=\"x6E\" d=\"M524 0h-209v26q44 5 55 18t11 65v167q0 114 -91 114q-50 0 -109 -51v-235q0 -50 10 -61.5t55 -16.5v-26h-217v26q51 5 62 17t11 61v206q0 47 -9.5 58.5t-50.5 19.5v23q82 15 139 40v-79l67 47q47 30 83 30q60 0 94.5 -40t34.5 -112v-193q0 -50 10 -61.5t54 -16.5v-26z\u0000\" /> <path id=\"x43\" d=\"M614 175l29 -10q-33 -109 -57 -154q-121 -26 -184 -26q-90 0 -160.5 29t-112.5 77t-63.5 105.5t-21.5 119.5q0 157 108 253t277 96q36 0 71.5 -5t69 -13.5t36.5 -8.5q15 -102 20 -150l-29 -8q-20 79 -66.5 114t-128.5 35q-119 0 -187.5 -86t-68.5 -207\u0000q0 -140 73.5 -227.5t188.5 -87.5q73 0 119.5 37.5t86.5 116.5z\" /> <path id=\"x75\" d=\"M518 50v-26q-32 -4 -77 -16l-37 -11t-33 -9l-6 6v71q-56 -42 -74 -52q-43 -25 -77 -25q-55 0 -89.5 36.5t-34.5 112.5v196q0 38 -6.5 48.5t-26.5 15.5l-28 6v23q19 1 72 7q59 9 71 11q-3 -31 -3 -145v-135q0 -113 88 -113q59 0 108 48v234q0 38 -8 49t-34 15l-36 6v23\u0000q44 2 90 8q37 4 67 10v-334q0 -37 8.5 -47t38.5 -12z\" /> <path id=\"x4E\" d=\"M719 650v-28q-43 -2 -62 -15t-22 -44q-6 -47 -6 -169v-403h-31l-426 524h-2v-251q0 -111 6 -169q4 -37 24 -50.5t72 -16.5v-28h-237v28q45 2 64.5 16t23.5 49q6 62 6 171v220q0 54 -3 68.5t-17 32.5q-16 19 -34.5 26.5t-54.5 10.5v28h147l418 -502h3v246q0 117 -7 166\u0000q-4 34 -24.5 47t-73.5 15v28h236z\" /> but the order was reversed byadding 20% methanol. The enthalpy and entropy changes of the complexation reactions were evaluated from the temperature dependence of formation constants. It was found that the stability of the resulting complexes decreased with increasing methanol in the solvent mixture. The TΔS° versus ΔH° plot of thermodynamic data obtained shows a fairly good linear correlation indicating the existence of enthalpy-entropy compensation in the complexation reactions. In addition, binding energies of Ni 2+, Cu 2+, and Zn 2+ complexes with A18C6 were calculated at B3LYP/6-31G level of theory.","PeriodicalId":17290,"journal":{"name":"Journal of Thermodynamics","volume":"130 1","pages":"1-10"},"PeriodicalIF":0.0,"publicationDate":"2012-11-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"76756517","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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