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Excess Molar Enthalpies for Binary and Ternary Mixtures Containing Cyclic Ethers, Lactam and Cyclic Ketones

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Abstract

Excess molar enthalpies \( H_{{}}^{\text{E}} \) for binary 1,3-dioxolane (1) + 1,4-dioxane (2) or N-methylpyrrolidin-2-one (2) + cyclohexanone or cycloheptanone (3) and \( H_{123}^{\text{E}} \) for ternary 1,3-dioxolane (1) + N-methylpyrrolidin-2-one or 1,4-dioxane (2) + cyclohexanone or cycloheptanone (3) mixtures have been measured over the entire mole fraction range at 308.15 K and atmospheric pressure using a micro differential calorimeter (Model-l DSC 7 Evo). The \( H_{{}}^{\text{E}} \) and \( H_{123}^{\text{E}} \) data have been correlated with composition by fitting of the corresponding data to the Redlich–Kister equation. The topology of the constituent molecules (Graph theory) has been utilized to predict \( H_{123}^{\text{E}} \) values of the present mixtures. It is observed that the \( H_{123}^{\text{E}} \) values calculated by Graph theory compare well with their corresponding experimental values. The \( H_{123}^{\text{E}} \) data have also been tested in terms of the Prigogine–Flory–Patterson (PFP) theory.

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Acknowledgement

The authors are thankful to Mr. K. Chandrasekhar Reddy, SSBN College, Anantapur, for providing the Gaussian-09 facility and C-DAC, PUNE, India for providing the computational work. V.K. Sharma is grateful to the University Grant Commission (UGC), New Delhi for the award of SAP.

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Authors and Affiliations

  1. Department of Chemistry, M. D. University, Rohtak, Haryana, India

    Sunita Malik, Heena Gupta & Vinod Kumar Sharma

  2. Department of Chemistry, Hindu College, Sonepat, Haryana, India

    Dimple Sharma

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  1. Sunita Malik
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Correspondence to Vinod Kumar Sharma.

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Malik, S., Gupta, H., Sharma, D. et al. Excess Molar Enthalpies for Binary and Ternary Mixtures Containing Cyclic Ethers, Lactam and Cyclic Ketones. J Solution Chem 46, 1639–1657 (2017). https://doi.org/10.1007/s10953-017-0670-3

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