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Energetics of molecular interactions of 1,4-dioxane with formamides or anilines at 308.15 K
Anurag Maken,Sanjeev Maken 한국공업화학회 2012 Journal of Industrial and Engineering Chemistry Vol.18 No.3
Molar excess enthalpies (HE) of 1,4-dioxane (A) + aniline or formamide or N,N-dimethylaniline or N,Ndimethylformamide (B) mixtures have been measured at 308.15 K over the entire composition range using flow isothermal micro calorimeter. The HE values for 1,4-dioxane + N,N-dimethylaniline or N,Ndimethylformamide were found to be small and positive and, these are large and negative for mixture containing aniline, whereas these change sign from negative to positive for 1,4-dioxane + formamide. The HE versus mole fraction of 1,4-dioxane (xA) plots for 1,4-dioxane (A) + aniline or N,N-dimethylaniline or N,N-dimethylformamide (B) system are symmetrical about xA = 0.5 and for equimolar mixtures, HE for these system follow the sequence: aniline < formamide < N,N-dimethylaniline < N,N-dimethylformamide. The excess enthalpy data have been utilized to study the energetics of molecular interactions in terms of graph theoretical approach.
Modeling of thermodynamic properties of an oxygenate + aromatic hydrocarbon: Excess molar enthalpy
Sanjeev Maken,Manju Rani,Sanjeev Maken,권휘웅,탁경재,문일 한국공업화학회 2015 Journal of Industrial and Engineering Chemistry Vol.23 No.-
Excess molar enthalpy ðHEm Þ have been measured at 303.15 K for 1-propanol + benzene or toluene or o- or m- or p-xylene mixtures using flow micro calorimeter. The HEm versus x1 plots are skewed toward y-axis showing maxima at x1 0:3. At ðx1 ¼ 0:5Þ HEm vary in the order: toluene < benzene < m-xylene < pxylene o-xylene. The excess volume data have also been interpreted in terms of Graph-theoretical approach and Prigogine–Flory–Patterson theory. It has been observed that while PFP theory fails to predict the HEm values for these systems in the composition range x1 < 0:5, agreement with experimental values is reasonably good thereafter. The HEm values calculated by Graph theory compared well with the corresponding experimental values.
Molar Excess Volume of Butyl Acetate with Cyclohexane or Aromatic Hydrocarbons at 298.15 K
Sanjeev Maken,Ankur Gaur,Naveen Verma,K. C. Singh,Seungmoon Lee,박진원 한국공업화학회 2007 Journal of Industrial and Engineering Chemistry Vol.13 No.7
Molar excess volume (VE) of butyl acetate [BAc](A) + cyclohexane (B), +benzene (B), +toluene (B), +o-, +m- and +p-xylene (B) were measure at 298.15 K over the entire composition range with v-shaped dilatometer. The VE values for binary mixture containing cyclohexane or benzene were found to be positive, while these were negative for the BAc + toluene, +o-, +m- and +p-xylene over the entire composition range. The VE values for an equimolar mixture vary in the order: cyclohexane > benzene > toluene o-xylene > m-xylene > p-xylene. The results are qualitatively explained in terms of the breaking and stretching of dipole-dipole interactions in self-associated BAc and the formation of attractive interactions between polar carboxyl group of butyl acetate and π-electrons of aromatic hydrocarbons.
Thermodynamics of molecular interactions in binary mixtures containing associated liquids
Sanjeev Maken,Manju Rani 한국화학공학회 2013 Korean Journal of Chemical Engineering Vol.30 No.8
Experimentally measured data of excess molar volumes and enthalpies at 308.15 K for binary mixtures of formamide with 1-butanol or 2-methyl-1-propanol were fitted to the Redlich-Kister polynomial equation. Thermodynamics of molecular interaction in these mixtures was discussed using Prigogine-Flory-Patterson theory, Treszczanowicz-Benson association model and Graph theoretical approach. Extent of inter-molecular H-bonding in formamide and butanol in their binary mixtures was also reflected in their molar enthalpy of association of H-bonding ΔhH 0and association constant KH calculated from Treszczanowicz-Benson association model. All the three theories predict the excess property data reasonably well.
Excess Gibbs free energy of butyl acetate with cyclohexane and aromatic hydrocarbons at 308.15K
Sanjeev Maken,Naveen Verma,Krishan Chander Singh,Ankur Gaur,Ho-Jun Song,박진원 한국화학공학회 2008 Korean Journal of Chemical Engineering Vol.25 No.2
Molar excess Gibbs free energies of mixing (CE) for butyl acetate+cyclohexane or benzene or toluene or o- or m- or p-xylene were calculated by using Barker’s method from the measured vapor pressure data by static method at 308.15±0.01 K over the entire composition range. The GE values for the binary mixtures containing cyclohexane or benzene are positive; while these are negative for toluene, o-, m- and p-xylene system over the whole composition range. The GE values of an equimolar mixture for these systems vary in the order: cyclohexane>benzene>o-xylene> m-xylene>p-xylene>toluene. The GE values for these systems were also calculated by Sanchez and Lacome theory using the previously published excess enthalpy and excess volume data. It is found that while values of GE from Sanchez and Lacombe theory are in reasonably good agreement with those calculated by Barker method for m-xylene and pxylene mixtures, agreement is very poor for other systems although they predict the sign of GE data except in the case of mixtures containing benzene
Manju Rani,Sanjeev Maken,Shalu Agarwal,Priyanka Lahot 한국공업화학회 2013 Journal of Industrial and Engineering Chemistry Vol.19 No.5
Excess molar enthalpies (HEm ) of formamide (1) + 1-butanol or 2-methyl-1-propanol or 2-methyl-2-propanol (2) mixtures have been measured at 298.15 K over the entire composition range using flow micro calorimeter. The excess enthalpy data along with previously published excess volumes data (VEm )(M. Rani, S. Maken, J. Ind. Eng. Chem. 18 (2012) 1694) have been utilised to study the thermodynamics of molecular interactions in terms of Prigogine–Flory–Patterson theory and Treszczanowicz–Benson association model with a Flory contribution term. The Treszczanowicz–Benson model was developed for alkane + alkanol systems considering Mecke–Kempter type of association in alkanol. In this paper the Treszczanowicz–Benson association model was applied, for the first time, to binary mixtures containing both components associated (butanol and formamide) through hydrogen bonding. In both the cases,when either of formamide or butanol was assumed to be associated, the calculated HEm and VEm values compared reasonably well with the corresponding experimental data, but the agreement is not very impressive for excess enthalpy in formamide + 2-methyl-2-propanol mixtures. Extent of inter-molecular H-bonding in formamide and butanols in their binary mixtures was also reflected in their molar enthalpy of association of H-bonding Dh0H.
Manju Rani,Sanjeev Maken,박소진 한국화학공학회 2019 Korean Journal of Chemical Engineering Vol.36 No.9
The kinematic viscosity (ν) of binary mixture of diisopropyl ether+n-heptane or n-octane or n-nonane or n-decane was measured at 298.15 K, 308.15 and 318.15 K. Using experimental data, the deviation in kinematic viscosity (Δν) was calculated. The Δν follows the sequence: n-heptane<n-octane<n-nonane<n-decane. The kinematic viscosity data were correlated by using various empirical equations suggested by Heric-Brewer, Krishnan-Ladda, Lulian et al. Predicted data using these empirical equations agree well with the experimental data. Kinematic viscosity data was also analyzed by applying the McAllister equation. Dynamic viscosity (η) for binary mixture of diisopropyl ether (DIPE)+n-heptane or n-octane was calculated using density data reported in earlier papers. Deviation in dynamic viscosity (Δη) was also calculated. Bloomfield and Dewan model was used to predict dynamic viscosity, and the predicted values agree well with experimental data for the present binary systems. The Δν and Δη values were fitted to Redlich-Kister polynomial equation. The effect of temperature on kinematic viscosity was also studied.
Characteristics of water-soluble fiber manufactured from carboxymethylcellulose synthesis
박진원,Youngmin Choi,Sanjeev Maken,Seungmoon Lee,Euihyun Chung,민병렬 한국화학공학회 2007 Korean Journal of Chemical Engineering Vol.24 No.2
cellulose in this study. Experimental parameters included reaction temperature, time, concentration of NaOH, and mono-chloroacetic acid. In mercerization and etherification, the solubility and DS increased when NaOH (or MCA) concen-tration increased, and maximum solubility and DS were achieved when NaOH or MCA was 30% . The effect of MCAconcentrations was larger than that of the NaOH concentration on DS. Tensile strength of the CMC fiber was affectedand decreased by an increase in reaction time, reagent concentration and reaction temperature increase. Tensile strengthalso decreased by NaOH and MCA. However, low decrease of tensile strength was observed in near neutral region.
Topological studies of molecular interactions of formamide with propanol and butanol at 298.15 K
Manju Rani,Sanjeev Maken 한국공업화학회 2012 Journal of Industrial and Engineering Chemistry Vol.18 No.5
Molar excess volumes have been measured at 298.15 K for formamide + 1-propanol, 2-propanol, 1-butanol, 2-methyl-1-propanol or 2-methyl-2-propanol mixtures. For an equimolar mixture, molar excess volumes follow the sequence: 1-butanol > 1-propanol > 2-methyl-1-propanol > 2-methyl-2-propanol > 2-propanol. The excess molar volume (VEm ) values have been fitted to Redlich–Kister polynomial equation and other volumetric properties like apparent molar volume, partial molar volume,excess partial molar volume were calculated. The excess volume data have also been rationalized by graph-theoretical arguments. It has been observed that VEm calculated by this approach agree well with the corresponding experimental values. This analysis has further yielded information about the state of aggregation of pure components that is consistent with the existing views on their nature of association. The infrared spectral studies lend further credence to the graph theoretical arguments.