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.

Solid-liquid equilibrium and kinematic viscosity of binary mixture of fatty acid alkyl esters

Manju Rani,박소진,인세진 한국화학공학회 2021 Korean Journal of Chemical Engineering Vol.38 No.5

The separation and recovery of fatty acid alkyl esters (FAAE) is of great significance for various industries. Crystallization is a well-suited separation process for fatty acid mixtures which may be evolved by the understanding of solid-liquid equilibrium (SLE). The SLE and kinematic viscosity () at (T=298.15-318.15 K) and (P=0.1mPa) for binary mixture of FAAE: methyl decanoate (1)+ethyl decanoate or methyl dodecanoate or methyl tetradecanoate (2) has been studied. The deviation in kinematic viscosity () data was derived using experimental  data. The measured SLE exhibit general single eutectic point like other organic mixtures. The SLE data fit well with universal quasi-chemical (UNIQUAC) equation. The  values were interrelated using different equations recommended by Heric-Brewer, Krishnan- Ladda, and Lulian et al. Theoretically estimated values using these empirical equations are in accordance with the experimental values with percentage standard deviation less than 0.35. The  were also analyzed by means of the McAllister equation. The  data were also fitted with the Redlich-Kister polynomial equation. All three binary mixtures showed negative  values.

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.

Volumetric and optical studies of binary and ternary mixture of diisopropyl ether, benzene and hexane

박소진,( Manju Rani ),( Rekha Devi ),( Sanjeev Markin ) 한국공업화학회 2019 한국공업화학회 연구논문 초록집 Vol.2019 No.0

Experimentally measured data of various thermophysical properties of possible mixtures containing oxygenates and components of gasoline such as alkanes, aromatics over a wide temperature range, is very helpful for formulation of environmental friendly fuel, petrochemical additives. In this work, Density and refractive indices of the binary and ternary liquid mixtures of diisopropyl ether, benzene and n-hexane were experimentally measured from 298.15 K to 318.15 K over the entire composition range. Excess molar volume and deviation in refractive index of binary and ternary mixtures were fitted to the Redlich-Kister equation and the Singh equation respectively. The excess volume data of binary and ternary mixtures have also been interpreted using Prigogine-Flory-Patterson theory. Various mixing rules were used for theoretical determination of refractive indices of the binary and ternary mixtures. Temperature effects were also studied in terms of molecular interactions.

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.

Measurement and correlation of excess molar volumes for mixtures of 1-propanol and aromatic hydrocarbons

Suman Gahlyan,Manju Rani,Inkyu Lee,문일,Sanjeev Kumar Maken 한국화학공학회 2015 Korean Journal of Chemical Engineering Vol.32 No.1

Excess molar volumes (VmE) have been measured at 303.15 K for 1-propanol+benzene or toluene or o- orm- or p-xylene mixtures using V-shape dilatometer. The VmEvalues, for an equimolar composition, vary in the order:benzene>toluene~m-xylene>o-xylene>p-xylene. The VmEdata have been used to calculate partial molar volumes,excess partial molar volumes, and apparent molar volumes of 1-propanol and aromatic hydrocarbons over the entirerange of composition. The excess volume data have also been interpreted in terms of graph-theoretical approach andPrigogine-Flory-Patterson theory (PFP). While PFP theory fails to predict the VmEvalues for systems with s-shaped VmEversus x1 graph, the VmEvalues calculated by graph theory compare reasonably well with the corresponding experimen-tal values. This graph theory analysis has further yielded information about the state of aggregation of pure compo-nents as well as of the mixtures.

Measurement and modeling of transport properties of binary liquid mixtures containing oxygenates and n-alkanes

Pinki Kashyap,Manju Rani,Dinesh Pratap Tiwari,박소진 한국화학공학회 2019 Korean Journal of Chemical Engineering Vol.36 No.11

Dynamic viscosities (η) of the binary liquid mixtures of 2-propanol (1)+n-alkanes (C6, C7, C9) (2) at T=288.15 K to 303.15 K and ethanol (1)+n-alkanes (C6, C7 , C8) (2) at T=308.15 K to 318.15 K were experimentally measured over the whole composition range. Experimental values of η were used to compute the deviation in dynamic viscosity (Δη) and these Δη values were correlated with the Redlich-Kister equation. The η values of binary mixtures were also calculated using several empirical correlations and mixing rules like Grunberg-Nissan, Tamura-Kurata, Kati- Chaudhari and McLaughlin-Ubbelohde and found that the Grunberg-Nissan correlation gave the best estimation. The Δη values were also predicted by an approach given by Singh et al. [Indian J Chem 29, 263 (1990)].

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.

Application of Flory-Treszczanowicz-Benson model and Prigogine-Flory-Patterson theory to Excess Molar Volume of Binary Mixtures of Ethanol with Diisopropyl Ether, Cyclohexane and Alkanes (C₆-C₉)

Kashyap, Pinki,Rani, Manju,Tiwari, Dinesh Pratap,Park, So-Jin The Korean Institute of Chemical Engineers 2020 Korean Chemical Engineering Research(HWAHAK KONGHA Vol.58 No.2

Densities (ρ) for binary mixtures of ethanol (1) + diisopropyl ether (DIPE) or cyclohexane or alkane (C₆-C₉) (2) were measured at 298.15 K, 308.15 K and 318.15 K. The excess molar volume (V^E_m) of binary mixtures was calculated using ρ data and correlated with Redlich-Kister polynomial equation. The V^E_m values for binary mixtures of ethanol (1) + cyclohexane or n-alkane (C₆-C₉) (2) were positive, whereas for ethanol (1) + DIPE (2) these were negative. The magnitude of V^E_m values follows the order: cyclohexane > n-nonane > n-octane > n-heptane > n-hexane > DIPE. The V^E_m values have been interpreted qualitatively and also quantitatively in terms of Flory-Treszczanowicz-Benson (FTB) model and Prigogine-Flory-Patterson (PFP) theory. The values V^E_m predicted using FTB model agree well with experimental V^E_m values at all mole fractions. But the PFP theory describes well V^E_m data in ethanol-rich region (x₁ > 0.5) for all binary mixtures and is able to predict the sign of V^E_m vs x₁ curve for ethanol-lean region (x₁ < 0.5) except for ethanol (1) + nonane (2) mixtures.