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Satyanarayana Nallani - One of the best experts on this subject based on the ideXlab platform.
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excess molar volumes and sound speed in phenylacetonitrile 1 2 dichloroethane phenylacetonitrile 1 1 2 Trichloroethane phenylacetonitrile 1 1 2 2 tetrachloroethane phenylacetonitrile trichloroethene and phenylacetonitrile tetrachloroethene at tempera
Journal of Chemical & Engineering Data, 2010Co-Authors: Asra Banu Syeda, Amara Jyothi Koppula, Sathyanarayana Boodida, Satyanarayana NallaniAbstract:The present paper reports the experimental data for density ρ, viscosity η, and speed of sound u in (phenylacetonitrile + 1,2-dichloroethane), (phenylacetonitrile + 1,1,2-Trichloroethane), (phenylacetonitrile + 1,1,2,2-tetrachloroethane), (phenylacetonitrile + trichloroethene), and (phenylacetonitrile + tetrachloroethene) over the entire range of composition at T = (303.15 to 313.15) K. These values have been used to calculate the excess molar volumes VE and deviation in isentropic compressibility Δκs. The excess molar volumes and deviation in isentropic compressibility are fitted to a Redlich−Kister-type equation to derive binary coefficients and standard deviation and to elicit the specific interactions like complex formation as well as the saturation of chlorine atoms with π electrons.
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Excess Molar Volumes and Sound Speed in (Phenylacetonitrile + 1,2-Dichloroethane), (Phenylacetonitrile + 1,1,2-Trichloroethane), (Phenylacetonitrile + 1,1,2,2-Tetrachloroethane), (Phenylacetonitrile + Trichloroethene), and (Phenylacetonitrile + Tetra
Journal of Chemical & Engineering Data, 2010Co-Authors: Asra Banu Syeda, Amara Jyothi Koppula, Sathyanarayana Boodida, Satyanarayana NallaniAbstract:The present paper reports the experimental data for density ρ, viscosity η, and speed of sound u in (phenylacetonitrile + 1,2-dichloroethane), (phenylacetonitrile + 1,1,2-Trichloroethane), (phenylacetonitrile + 1,1,2,2-tetrachloroethane), (phenylacetonitrile + trichloroethene), and (phenylacetonitrile + tetrachloroethene) over the entire range of composition at T = (303.15 to 313.15) K. These values have been used to calculate the excess molar volumes VE and deviation in isentropic compressibility Δκs. The excess molar volumes and deviation in isentropic compressibility are fitted to a Redlich−Kister-type equation to derive binary coefficients and standard deviation and to elicit the specific interactions like complex formation as well as the saturation of chlorine atoms with π electrons.
Ivan Wichterle - One of the best experts on this subject based on the ideXlab platform.
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disquac characterization of the carbonyl chlorine interactions in binary mixtures of linear ketone with chloroalkane
Collection of Czechoslovak Chemical Communications, 2003Co-Authors: Dana Dragoescu, Mariana Teodorescu, Alexandru Barhala, Ivan WichterleAbstract:Both the published and our new data on vapour-liquid equilibrium, excess Gibbs energy G E and excess enthalpy H E for the linear ketone-chloroalkane binary mixtures are interpreted in terms of the DISQUAC group contribution model. The components are characterized by three types of contact surfaces: chlorine (Cl), carbonyl (C=O) and alkyl (CH 3 , CH 2 , CH, C). The Cl/alkyl and C=O/alkyl contact parameters are known from the literature. The parameters for C=O/Cl are re-evaluated here using extensive data on linear ketone-chloroalkane mixtures. It was found that the best description of ketone mixtures with 1-chloroalkane, trichloromethane, 1,1,1-Trichloroethane, tetrachloromethane and 1,1,2,2-tetrachloroethane is obtained using a dispersive contribution of the C=O/Cl contact only. On the other hand the quasichemical term cannot be neglected for the ketone-α,ω-dichloroalkane systems. The newly evaluated interaction parameters for DISQUAC model enable good prediction of phase equilibrium and thermodynamic properties G E and H E as well as the temperature dependence of G E .
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Application of the Predictive UNIFAC Model to the Pentan‐3‐one/Chloroalkane and 5‐Chloro‐2‐pentanone/Hydrocarbon Binary Systems
Chemical Engineering & Technology, 2000Co-Authors: Mariana Teodorescu, Z. Wagner, Ivan WichterleAbstract:The predictive capability of the UNIFAC model by Fredenslund et al. (1977) using the last revised parameters of Hansen et al. (1991) was tested to describe the behavior of the binary systems of pentan-3-one + chloroalkane and 5-chloro-2-pentanone + hydrocarbon in the range of 313.15–373.15 K at low or moderate pressures. The chloroalkanes under study were 1,2-dichloroethane, 1,3-dichloropropane, 1,4-dichlorobutane, trichloromethane, 1,1,1-Trichloroethane, and 1,1,2,2-tetrachloroethane; the hydrocarbons investigated were n-hexane, toluene, and ethylbenzene. The results obtained were compared with the experimental data on VLE and the excess Gibbs energy reported recently by Teodorescu et al. (1997, 1998). The best results in prediction were found for the system of pentan-3-one + 1,4-dichlorobutane with average deviation up to 0.0041 for the vapor-phase composition and up to 1.83 % in pressure. For the other systems of dichloroalkanes the deviations increase with decreasing size of chloroalkane. For the systems of trichloro- or tetrachloroalkanes the deviations are larger than for dichloroalkanes in both vapor-phase composition and pressure. For the mixtures of 5-chloro-2-pentanone + hydrocarbon the best prediction was obtained for n-hexane (up to 0.0058 in the vapor-phase composition and 5.70 % in pressure). The best description of the excess Gibbs energy is given for 5-chloro-2-pentanone + n-hexane mixture.
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application of the predictive unifac model to the pentan 3 one chloroalkane and 5 chloro 2 pentanone hydrocarbon binary systems
Chemical Engineering & Technology, 2000Co-Authors: Mariana Teodorescu, Z. Wagner, Ivan WichterleAbstract:The predictive capability of the UNIFAC model by Fredenslund et al. (1977) using the last revised parameters of Hansen et al. (1991) was tested to describe the behavior of the binary systems of pentan-3-one + chloroalkane and 5-chloro-2-pentanone + hydrocarbon in the range of 313.15–373.15 K at low or moderate pressures. The chloroalkanes under study were 1,2-dichloroethane, 1,3-dichloropropane, 1,4-dichlorobutane, trichloromethane, 1,1,1-Trichloroethane, and 1,1,2,2-tetrachloroethane; the hydrocarbons investigated were n-hexane, toluene, and ethylbenzene. The results obtained were compared with the experimental data on VLE and the excess Gibbs energy reported recently by Teodorescu et al. (1997, 1998). The best results in prediction were found for the system of pentan-3-one + 1,4-dichlorobutane with average deviation up to 0.0041 for the vapor-phase composition and up to 1.83 % in pressure. For the other systems of dichloroalkanes the deviations increase with decreasing size of chloroalkane. For the systems of trichloro- or tetrachloroalkanes the deviations are larger than for dichloroalkanes in both vapor-phase composition and pressure. For the mixtures of 5-chloro-2-pentanone + hydrocarbon the best prediction was obtained for n-hexane (up to 0.0058 in the vapor-phase composition and 5.70 % in pressure). The best description of the excess Gibbs energy is given for 5-chloro-2-pentanone + n-hexane mixture.
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Application of the predictive UNIFAC model to the pentan-3-one/chloroalkane and 5-chloro-2-pentanone/hydrocarbon binary systems
Chemical Engineering & Technology, 2000Co-Authors: Mariana Teodorescu, Z. Wagner, Ivan WichterleAbstract:The predictive capability of the UNIFAC model by Fredenslund et al. (1977) using the last revised parameters of Hansen et al. (1991) was tested to describe the behavior of the binary systems of pentan-3-one + chloroalkane and 5-chloro-2-pentanone + hydrocarbon in the range of 313.15–373.15 K at low or moderate pressures. The chloroalkanes under study were 1,2-dichloroethane, 1,3-dichloropropane, 1,4-dichlorobutane, trichloromethane, 1,1,1-Trichloroethane, and 1,1,2,2-tetrachloroethane; the hydrocarbons investigated were n-hexane, toluene, and ethylbenzene. The results obtained were compared with the experimental data on VLE and the excess Gibbs energy reported recently by Teodorescu et al. (1997, 1998). The best results in prediction were found for the system of pentan-3-one + 1,4-dichlorobutane with average deviation up to 0.0041 for the vapor-phase composition and up to 1.83 % in pressure. For the other systems of dichloroalkanes the deviations increase with decreasing size of chloroalkane. For the systems of trichloro- or tetrachloroalkanes the deviations are larger than for dichloroalkanes in both vapor-phase composition and pressure. For the mixtures of 5-chloro-2-pentanone + hydrocarbon the best prediction was obtained for n-hexane (up to 0.0058 in the vapor-phase composition and 5.70 % in pressure). The best description of the excess Gibbs energy is given for 5-chloro-2-pentanone + n-hexane mixture.
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evaluation of the carbonyl chlorine interaction parameters in pentan 3 one chloroalkane mixtures using the disquac group contribution model
Collection of Czechoslovak Chemical Communications, 2000Co-Authors: Mariana Teodorescu, Ivan WichterleAbstract:Thermodynamic behaviour of the eight systems containing pentan-3-one and a chloroalkane, namely 1-chlorobutane, 1,2-dichloroethane, 1,3-dichloropropane, 1,4-dichlorobutane, trichloromethane, 1,1,1-Trichloroethane, tetrachloromethane and 1,1,2,2-tetrachloro- ethane was interpreted in terms of the DISQUAC group contribution model. It was found that quasichemical term for the contact C=O/Cl in the pentan-3-one-α,ω-dichloroalkane and pentan-3-one-1,1,1-Trichloroethane systems is not negligible. The DISQUAC dispersive interchange parameters for C=O/Cl contact in these systems were evaluated from literature data on linear ketone + 1-chloroalkane systems. It was found that the best description of experimental data for systems containing 1-chlorobutane, trichloromethane, tetrachloromethane, and 1,1,2,2-tetrachloroethane is provided using only dispersive contribution of the C=O/Cl contact. The vapour-liquid equilibrium, GE, and HE data were calculated using the DISQUAC model and compared with experimental data. The model provides a fairly consistent description. The relation between the DISQUAC interchange parameters for C=O/Cl contact and the chloroalkane chain length was established.
Mariana Teodorescu - One of the best experts on this subject based on the ideXlab platform.
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Refractive Indices Measurement and Correlation for Selected Binary Systems of Various Polarities at 25 °C
Journal of Solution Chemistry, 2013Co-Authors: Mariana Teodorescu, Catinca SecuianuAbstract:New refractive indices at 25 °C were measured and are reported here for 19 binary mixtures of pentan-3-one+1,2-dichloroethane, +1,3-dichloropropane, +1,4-dichlorobutane, +trichloromethane, +1,1,1-Trichloroethane, +1,1,2,2-tetrachloroethane; cyclopentanone+1-chlorobutane, +1,1,2,2-tetrachloroethane; cyclohexanone+1,1,2,2-tetrachloroethane; 5-chloro-2-pentanone+ n -hexane, +toluene, +ethylbenzene; nitromethane+trichloromethane; and nitromethane or nitroethane, +1,2-dichloroethane, +1,3-dichloropropane, +1,4-dichlorobutane. The experimental refractive index deviations from linear mixing behavior have been evaluated and correlated consistently with the 3-parameter Redlich–Kister equation with good results. The molar refraction was also examined for the systems including pentan-3-one, cyclopentanone, cyclohexanone and 5-chloro-2-pentanone for which densities and excess molar volumes are available from previous works. Different theoretical ( n , ρ ) mixing rules were tested for these systems. The excess Gibbs energy G ^E and excess enthalpy H ^E values were considered together with the excess molar volumes V ^E, excess refractive indexes $$ n_{\text{D}}^{\text{E}} $$ n D E , molar refraction R and excess molar refractions R ^E on mixing in the discussion of the influence of the alkyl chain length or of the nature of the second component in the mixture in terms of molecular interactions.
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disquac characterization of the carbonyl chlorine interactions in binary mixtures of linear ketone with chloroalkane
Collection of Czechoslovak Chemical Communications, 2003Co-Authors: Dana Dragoescu, Mariana Teodorescu, Alexandru Barhala, Ivan WichterleAbstract:Both the published and our new data on vapour-liquid equilibrium, excess Gibbs energy G E and excess enthalpy H E for the linear ketone-chloroalkane binary mixtures are interpreted in terms of the DISQUAC group contribution model. The components are characterized by three types of contact surfaces: chlorine (Cl), carbonyl (C=O) and alkyl (CH 3 , CH 2 , CH, C). The Cl/alkyl and C=O/alkyl contact parameters are known from the literature. The parameters for C=O/Cl are re-evaluated here using extensive data on linear ketone-chloroalkane mixtures. It was found that the best description of ketone mixtures with 1-chloroalkane, trichloromethane, 1,1,1-Trichloroethane, tetrachloromethane and 1,1,2,2-tetrachloroethane is obtained using a dispersive contribution of the C=O/Cl contact only. On the other hand the quasichemical term cannot be neglected for the ketone-α,ω-dichloroalkane systems. The newly evaluated interaction parameters for DISQUAC model enable good prediction of phase equilibrium and thermodynamic properties G E and H E as well as the temperature dependence of G E .
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Application of the Predictive UNIFAC Model to the Pentan‐3‐one/Chloroalkane and 5‐Chloro‐2‐pentanone/Hydrocarbon Binary Systems
Chemical Engineering & Technology, 2000Co-Authors: Mariana Teodorescu, Z. Wagner, Ivan WichterleAbstract:The predictive capability of the UNIFAC model by Fredenslund et al. (1977) using the last revised parameters of Hansen et al. (1991) was tested to describe the behavior of the binary systems of pentan-3-one + chloroalkane and 5-chloro-2-pentanone + hydrocarbon in the range of 313.15–373.15 K at low or moderate pressures. The chloroalkanes under study were 1,2-dichloroethane, 1,3-dichloropropane, 1,4-dichlorobutane, trichloromethane, 1,1,1-Trichloroethane, and 1,1,2,2-tetrachloroethane; the hydrocarbons investigated were n-hexane, toluene, and ethylbenzene. The results obtained were compared with the experimental data on VLE and the excess Gibbs energy reported recently by Teodorescu et al. (1997, 1998). The best results in prediction were found for the system of pentan-3-one + 1,4-dichlorobutane with average deviation up to 0.0041 for the vapor-phase composition and up to 1.83 % in pressure. For the other systems of dichloroalkanes the deviations increase with decreasing size of chloroalkane. For the systems of trichloro- or tetrachloroalkanes the deviations are larger than for dichloroalkanes in both vapor-phase composition and pressure. For the mixtures of 5-chloro-2-pentanone + hydrocarbon the best prediction was obtained for n-hexane (up to 0.0058 in the vapor-phase composition and 5.70 % in pressure). The best description of the excess Gibbs energy is given for 5-chloro-2-pentanone + n-hexane mixture.
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application of the predictive unifac model to the pentan 3 one chloroalkane and 5 chloro 2 pentanone hydrocarbon binary systems
Chemical Engineering & Technology, 2000Co-Authors: Mariana Teodorescu, Z. Wagner, Ivan WichterleAbstract:The predictive capability of the UNIFAC model by Fredenslund et al. (1977) using the last revised parameters of Hansen et al. (1991) was tested to describe the behavior of the binary systems of pentan-3-one + chloroalkane and 5-chloro-2-pentanone + hydrocarbon in the range of 313.15–373.15 K at low or moderate pressures. The chloroalkanes under study were 1,2-dichloroethane, 1,3-dichloropropane, 1,4-dichlorobutane, trichloromethane, 1,1,1-Trichloroethane, and 1,1,2,2-tetrachloroethane; the hydrocarbons investigated were n-hexane, toluene, and ethylbenzene. The results obtained were compared with the experimental data on VLE and the excess Gibbs energy reported recently by Teodorescu et al. (1997, 1998). The best results in prediction were found for the system of pentan-3-one + 1,4-dichlorobutane with average deviation up to 0.0041 for the vapor-phase composition and up to 1.83 % in pressure. For the other systems of dichloroalkanes the deviations increase with decreasing size of chloroalkane. For the systems of trichloro- or tetrachloroalkanes the deviations are larger than for dichloroalkanes in both vapor-phase composition and pressure. For the mixtures of 5-chloro-2-pentanone + hydrocarbon the best prediction was obtained for n-hexane (up to 0.0058 in the vapor-phase composition and 5.70 % in pressure). The best description of the excess Gibbs energy is given for 5-chloro-2-pentanone + n-hexane mixture.
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Application of the predictive UNIFAC model to the pentan-3-one/chloroalkane and 5-chloro-2-pentanone/hydrocarbon binary systems
Chemical Engineering & Technology, 2000Co-Authors: Mariana Teodorescu, Z. Wagner, Ivan WichterleAbstract:The predictive capability of the UNIFAC model by Fredenslund et al. (1977) using the last revised parameters of Hansen et al. (1991) was tested to describe the behavior of the binary systems of pentan-3-one + chloroalkane and 5-chloro-2-pentanone + hydrocarbon in the range of 313.15–373.15 K at low or moderate pressures. The chloroalkanes under study were 1,2-dichloroethane, 1,3-dichloropropane, 1,4-dichlorobutane, trichloromethane, 1,1,1-Trichloroethane, and 1,1,2,2-tetrachloroethane; the hydrocarbons investigated were n-hexane, toluene, and ethylbenzene. The results obtained were compared with the experimental data on VLE and the excess Gibbs energy reported recently by Teodorescu et al. (1997, 1998). The best results in prediction were found for the system of pentan-3-one + 1,4-dichlorobutane with average deviation up to 0.0041 for the vapor-phase composition and up to 1.83 % in pressure. For the other systems of dichloroalkanes the deviations increase with decreasing size of chloroalkane. For the systems of trichloro- or tetrachloroalkanes the deviations are larger than for dichloroalkanes in both vapor-phase composition and pressure. For the mixtures of 5-chloro-2-pentanone + hydrocarbon the best prediction was obtained for n-hexane (up to 0.0058 in the vapor-phase composition and 5.70 % in pressure). The best description of the excess Gibbs energy is given for 5-chloro-2-pentanone + n-hexane mixture.
Asra Banu Syeda - One of the best experts on this subject based on the ideXlab platform.
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excess molar volumes and sound speed in phenylacetonitrile 1 2 dichloroethane phenylacetonitrile 1 1 2 Trichloroethane phenylacetonitrile 1 1 2 2 tetrachloroethane phenylacetonitrile trichloroethene and phenylacetonitrile tetrachloroethene at tempera
Journal of Chemical & Engineering Data, 2010Co-Authors: Asra Banu Syeda, Amara Jyothi Koppula, Sathyanarayana Boodida, Satyanarayana NallaniAbstract:The present paper reports the experimental data for density ρ, viscosity η, and speed of sound u in (phenylacetonitrile + 1,2-dichloroethane), (phenylacetonitrile + 1,1,2-Trichloroethane), (phenylacetonitrile + 1,1,2,2-tetrachloroethane), (phenylacetonitrile + trichloroethene), and (phenylacetonitrile + tetrachloroethene) over the entire range of composition at T = (303.15 to 313.15) K. These values have been used to calculate the excess molar volumes VE and deviation in isentropic compressibility Δκs. The excess molar volumes and deviation in isentropic compressibility are fitted to a Redlich−Kister-type equation to derive binary coefficients and standard deviation and to elicit the specific interactions like complex formation as well as the saturation of chlorine atoms with π electrons.
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Excess Molar Volumes and Sound Speed in (Phenylacetonitrile + 1,2-Dichloroethane), (Phenylacetonitrile + 1,1,2-Trichloroethane), (Phenylacetonitrile + 1,1,2,2-Tetrachloroethane), (Phenylacetonitrile + Trichloroethene), and (Phenylacetonitrile + Tetra
Journal of Chemical & Engineering Data, 2010Co-Authors: Asra Banu Syeda, Amara Jyothi Koppula, Sathyanarayana Boodida, Satyanarayana NallaniAbstract:The present paper reports the experimental data for density ρ, viscosity η, and speed of sound u in (phenylacetonitrile + 1,2-dichloroethane), (phenylacetonitrile + 1,1,2-Trichloroethane), (phenylacetonitrile + 1,1,2,2-tetrachloroethane), (phenylacetonitrile + trichloroethene), and (phenylacetonitrile + tetrachloroethene) over the entire range of composition at T = (303.15 to 313.15) K. These values have been used to calculate the excess molar volumes VE and deviation in isentropic compressibility Δκs. The excess molar volumes and deviation in isentropic compressibility are fitted to a Redlich−Kister-type equation to derive binary coefficients and standard deviation and to elicit the specific interactions like complex formation as well as the saturation of chlorine atoms with π electrons.
Sathyanarayana Boodida - One of the best experts on this subject based on the ideXlab platform.
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excess molar volumes and sound speed in phenylacetonitrile 1 2 dichloroethane phenylacetonitrile 1 1 2 Trichloroethane phenylacetonitrile 1 1 2 2 tetrachloroethane phenylacetonitrile trichloroethene and phenylacetonitrile tetrachloroethene at tempera
Journal of Chemical & Engineering Data, 2010Co-Authors: Asra Banu Syeda, Amara Jyothi Koppula, Sathyanarayana Boodida, Satyanarayana NallaniAbstract:The present paper reports the experimental data for density ρ, viscosity η, and speed of sound u in (phenylacetonitrile + 1,2-dichloroethane), (phenylacetonitrile + 1,1,2-Trichloroethane), (phenylacetonitrile + 1,1,2,2-tetrachloroethane), (phenylacetonitrile + trichloroethene), and (phenylacetonitrile + tetrachloroethene) over the entire range of composition at T = (303.15 to 313.15) K. These values have been used to calculate the excess molar volumes VE and deviation in isentropic compressibility Δκs. The excess molar volumes and deviation in isentropic compressibility are fitted to a Redlich−Kister-type equation to derive binary coefficients and standard deviation and to elicit the specific interactions like complex formation as well as the saturation of chlorine atoms with π electrons.
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Excess Molar Volumes and Sound Speed in (Phenylacetonitrile + 1,2-Dichloroethane), (Phenylacetonitrile + 1,1,2-Trichloroethane), (Phenylacetonitrile + 1,1,2,2-Tetrachloroethane), (Phenylacetonitrile + Trichloroethene), and (Phenylacetonitrile + Tetra
Journal of Chemical & Engineering Data, 2010Co-Authors: Asra Banu Syeda, Amara Jyothi Koppula, Sathyanarayana Boodida, Satyanarayana NallaniAbstract:The present paper reports the experimental data for density ρ, viscosity η, and speed of sound u in (phenylacetonitrile + 1,2-dichloroethane), (phenylacetonitrile + 1,1,2-Trichloroethane), (phenylacetonitrile + 1,1,2,2-tetrachloroethane), (phenylacetonitrile + trichloroethene), and (phenylacetonitrile + tetrachloroethene) over the entire range of composition at T = (303.15 to 313.15) K. These values have been used to calculate the excess molar volumes VE and deviation in isentropic compressibility Δκs. The excess molar volumes and deviation in isentropic compressibility are fitted to a Redlich−Kister-type equation to derive binary coefficients and standard deviation and to elicit the specific interactions like complex formation as well as the saturation of chlorine atoms with π electrons.
