Solid–liquid equilibrium, thermal and physicochemical studies of organic eutectics

Reddi, Ravikumar; Satuluri, V. S.A. Kumar; N., R.

doi:10.1007/s10973-011-1634-2

Cited by 14 publications

(2 citation statements)

References 21 publications

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“…The deviation from ideal behavior and the type of interactions governing the systems can be better explained by means of excess thermodynamic functions, namely excess Gibbs energy (G E ), enthalpy (H E ), and entropy (S E ) [38][39][40]. These functions give a more quantitative idea about the nature of molecular interactions and are expressed as the difference between the thermodynamic functions of a real system and the ideal one at the same temperature and pressure.…”

Section: Application Of Semi-empirical Modelsmentioning

confidence: 99%

Solid + liquid equilibria and molecular structure studies of binary mixtures for nitrate ester’s stabilizers: Measurement and modeling

et al. 2018

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A B S T R A C TSolid-liquid equilibria (SLE) data for two binary organic mixtures of N-(2-methoxyethyl)-p-nitroaniline + Nethyl-4-nitroaniline (S1) and N-(2-ethanol)-p-nitroaniline + N-ethyl-4-nitroaniline (S2) have been measured using differential scanning calorimeter to build the corresponding solid-liquid phase diagrams. The quality of the SLE data has been checked by consistency tests, presenting good quality factors for both systems. Simple eutectic behavior has been observed for these systems with the presence of a solid-solid transition for S2. The SLE data have been correlated by means of Wilson, NRTL, and UNIQUAC equations. The used models calculate the equilibrium temperatures very satisfactorily. The best modeling results were obtained using the Wilson equation with a root mean square deviation between experimental and calculated values for S1 and S2 of 1.15 and 1.99, respectively. The Wilson, NRTL, and UNIQUAC equations have also been used to compute excess thermodynamic functions viz. excess Gibbs energy, enthalpy, and entropy. The obtained results demonstrated a moderate positive deviation to ideality for S1, and a strong positive deviation for S2, unveiling the nature of the interactions between the compounds forming each mixture. In addition, microstructural studies have been carried out by FTIR, XRD and optical microscopy. Weak molecular interactions have been shown for the eutectic compositions. Jackson's roughness parameter was calculated and found to be greater than 2, suggesting the faceted morphology with irregular structures.

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Section: Application Of Semi-empirical Modelsmentioning

confidence: 99%

Solid + liquid equilibria and molecular structure studies of binary mixtures for nitrate ester’s stabilizers: Measurement and modeling

et al. 2018

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“…The deviation from ideal behavior and the types of interactions governing the system can be better explained by means of excess thermodynamic functions, namely excess Gibbs energy (G E ), excess enthalpy (H E ) and excess entropy (S E ) [23][24][25]. These functions give a more quantitative idea about the nature of molecular interactions and are expressed as the difference between the thermodynamic functions of a real system and the ideal one at the same temperature and pressure.…”

Section: Application Of Semi-empirical Modelsmentioning

confidence: 99%

Solid–Liquid Phase Equilibria, Molecular Interaction and Microstructural Studies on (N-(2-ethanol)-p-nitroaniline + N-(2-acetoxyethyl)-p-nitroaniline) Binary Mixtures

et al. 2018

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Differential scanning calorimetry (DSC) is used to investigate the thermal properties of N-(2-ethanol)-p-nitroaniline + N-(2-acetoxyethyl)-p-nitroaniline, and their binary systems. The experimental results demonstrate that the studied binary system presents a simple eutectic behavior and the corresponding mole fraction (x eu) of N-(2-ethanol)p-nitroaniline at the eutectic point is 0.5486, whereas the temperature (T eu) is found to be equal to 363.6 K. The quality of the solid-liquid equilibria (SLE) data has been checked by thermodynamic consistency tests, presenting good quality factor. The SLE data have been correlated by means of Wilson, NRTL, and UNIQUAC equations. The three models describe satisfactorily the phase diagram as the root-mean-square deviations for the equilibrium temperatures vary from 1.25 K to 2.07 K. Nevertheless, the Wilson model provides the best correlation results. The three equations have also been used to compute excess thermodynamic functions viz. excess Gibbs energy, enthalpy and entropy. The obtained results revealed a sensitive positive deviation to ideality thus demonstrating the nature of the interactions between the compounds forming the mixture. Microstructural studies have been carried out by FTIR, XRD and optical microscopy showing weak molecular interactions for the eutectic mixture.

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Synthesis, Spectral Characterization, Thermal and Optical Studies of Novel Complexes: 4-(Dimethylamino)benzylidene-4-acetamideaniline and 4-(Dimethylamino)benzylidene-4-nitroaniline

Neupane

2017

J Fluoresc

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The phase diagram representing solid-liquid equilibrium of entire range of composition and thermodynamic studies of two binary organic systems of 4-dimethylaminobenzaldehyde (DMAB) with two NLO active compounds, p-aminoacetanilide (PAA) and p-nitroaniline (PNA), have been studied by solid state synthetic route. Both systems are independently forming a new entity called intermolecular complex (IMC) and two eutectics on either side of intermolecular complexes. The various thermodynamic parameters such as heat of mixing, entropy of fusion, roughness parameter, interfacial energy and excess thermodynamic functions of IMCs and eutectics were calculated using the heat of fusion values. The TGA and DTA studies were performed to understand the physico-chemical, thermal behavior and unique identity of newly synthesized organic complexes, 4-(dimethylamino)benzylidene-4-acetamideaniline (DMABPAA) and 4-(dimethylamino)benzylidene-4-nitroaniline (DMABPNA), and their respective enthalpy of fusion values were found to be 30.01 and 37.26 kJ mol. The higher melting point of both the novel complexes than their parent's compounds reveal the strong molecular interaction between parent components to yield the complex. The FTIR spectral analysis predicts the disappearance of aldehyde peaks of DMAB and NH peaks of PAA and PNA while the appearance of entirely new peaks than that of parent's compounds are the supportive for the formation of new molecular entities. These findings are further supported by FTNMR spectrum studies by observation of disappearance of proton peak of aldehyde of DMAB and amine peaks of PAA and PNA rather formation of new imine proton peak or peaks were observed. The appearance of new peaks in Powder XRD of complexes than those of parent components is further indicative for the formation of complexes. The absorption spectrum of DMABPAA and DMABPNA showed intra-molecular charge-transfer (ICT) excited state absorption at 258 and 241 nm, respectively. Both the IMCs, DMABPAA and DMABPNA, show strong fluorescence with quantum yield 0.66 and 0.93, respectively, in methanol solution.

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Solid–liquid equilibrium, thermal and physicochemical studies of organic eutectics

Cited by 14 publications

References 21 publications

Solid + liquid equilibria and molecular structure studies of binary mixtures for nitrate ester’s stabilizers: Measurement and modeling

Solid + liquid equilibria and molecular structure studies of binary mixtures for nitrate ester’s stabilizers: Measurement and modeling

Solid–Liquid Phase Equilibria, Molecular Interaction and Microstructural Studies on (N-(2-ethanol)-p-nitroaniline + N-(2-acetoxyethyl)-p-nitroaniline) Binary Mixtures

Synthesis, Spectral Characterization, Thermal and Optical Studies of Novel Complexes: 4-(Dimethylamino)benzylidene-4-acetamideaniline and 4-(Dimethylamino)benzylidene-4-nitroaniline

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