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.

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.

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.

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

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.

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.

Measurement and modeling of viscosity for binary mixtures of diisopropyl ether with n-alkanes (C7-C10)

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.

SnO₂ Mixed Banana Peel Derived Biochar Composite for Supercapacitor Application

( Indu Kaushal ),( Sanjeev Maken ),( Ashok Kumar Sharma ) 한국화학공학회 2018 Korean Chemical Engineering Research(HWAHAK KONGHA Vol.56 No.5

Novel SnO₂ mixed biochar composite was prepared from banana peel developed as electrode material for supercapacitor using simple chemical co-precipitation method. The physiochemical and morphological properties of activated composite SnO₂ mixed biochar were investigated with XRD, FTIR, UV-vis, FESEM and HRTEM. The composite accounts for outstanding electrochemical behavior such as high specific capacitance, significant rate capability and leading to good cycle retention up to 3500 cycles when used as electrode material for supercapacitors. Highly permeable SnO₂ mixed biochar derived from banana peel exhibited maximum specific capacitance of 465 F g^-1 at a scan rate of 10 mV s^-1 by cyclic voltammetry (CV) and 476 Fg^-1 at current density of 0.15 Ag^-1 by charge discharge studies significantly higher about 47% than previously reported identical work on banana peel biochar.

Excess molar enthalpies of binary mixtures of formamide with butanol at 298.15 K: Application of Prigogine–Flory–Patterson theory and Treszczanowicz–Benson association model

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.

Refractive Index and Excess Volume for Diisopropylamine + Isomeric Butanol Mixtures in terms of Nakata and Sakurai model

( Kavitha Kumari ),( Sanjeev Maken ) 한국화학공학회 2021 Korean Chemical Engineering Research(HWAHAK KONGHA Vol.59 No.4

Alkyl amines are widely used in various industries. Nowadays these are also used in CO₂ capture technology because amines react with CO₂ and remove it from the flue gas. To make the amines more compatible towards this technology, physico chemical properties may be altered by mixing with other solvents. In the present report, we measured the refractive properties of pure diisopropylamine (DIPA) (1) + isomeric butanol (2) at 298.15 K to 308.15 K. The Δn values were positive for DIPA + n-butanol or sec-butanol or isobutanol or tert-butanol mixtures. The measured data was correlated with Redlich-Kister equation. The excess molar volume data were predicted from refractive index data using Nakata and Sakurai model. The experimental data were also predicted by various correlations, and the prediction capability of these correlations was reported through standard deviation. Further, the deviation in refractive index (Δn) data was interpreted by the consideration of specific molecular interactions between DIPA and isomeric butanol.