Densities and viscosities of propionic acid in benzene, methylbenzene, ethylbenzene, and propylbenzene

Subha, M. C. S.; Rao, S. Brahmaji

doi:10.1021/je00054a005

Cited by 22 publications

(9 citation statements)

References 2 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The 95% confidence intervals are 0.99185–0.99192 g/cm 3 , 1.077 × 10 –9 –1.090 × 10 –9 m 2 /s, 10.70–10.72 kcal/mol, and 44.75–45.07 mN/m, respectively. The experimental density, self-diffusion coefficient, and enthalpy of vaporization are 0.99 g/cm 3 , 1.0 × 10 –9 m 2 /s, and 13.7 kcal/mol, respectively. − Thus, the properties predicted by the CG propionic acid model are in good agreement with the experimental results. The surface tension, however, deviated from the experimentally measured data by ∼80%.…”

Section: Results and Discussionsupporting

confidence: 62%

Development of an Accurate Coarse-Grained Model of Poly(acrylic acid) in Explicit Solvents

Singh

Bejagam

et al. 2019

Macromolecules

View full text Add to dashboard Cite

Understanding the effect of solvent on the polymer conformations is a fundamental problem in materials science and engineering. Here, we have developed, the first of its kind, a coarse-grained (CG) model of poly(acrylic acid) (PAA) that can reproduce its experimental glass transition temperature (T g) and conformation of a single chain in the presence of explicit solvents along with capturing the structure of solvents at the PAA–solvent interface. The PAA model was based on a CG model of propionic acid, an analogue of the PAA monomer. The accuracy of both the propionic acid and PAA models was validated by employing uncertainty quantifications. The cross-interaction parameters between CG PAA and one-site water model and between CG PAA and DMF models were optimized to reproduce the radius of gyration (R g) of an all-atom 30-monomer (30-mer) PAA chain in pure solvents. These interaction parameters were further used to explore the PAA conformation in the presence of binary mixtures of water and DMF with different compositions. A PAA chain was in a globule-like and a coil-like state in binary solvents with low and high mass fractions of DMF, respectively. Moreover, the local structure of solvent suggests that even at a low mass fraction of DMF in a binary solvent, there is an enhanced ordering of DMF molecules at the polymer–solvent interface. Furthermore, an increase in the coordination number of DMF molecules within the first solvation shell of PAA suggests that DMF molecules form a shielding layer and protect PAA from water molecules. These results are in excellent agreement with the results of all-atom MD simulations.

show abstract

Section: Results and Discussionsupporting

confidence: 62%

Development of an Accurate Coarse-Grained Model of Poly(acrylic acid) in Explicit Solvents

Singh

Bejagam

et al. 2019

Macromolecules

View full text Add to dashboard Cite

show abstract

“…Solvent mixtures were prepared by mass using a Mettler balance with a precision of (0.01 mg. Densities of the pure liquids and their mixtures were determined by using a 15 cm 3 double-walled pycnometer as described. 8 The pycnometer with a capillary bore of about 2 mm was calibrated using conductivity water with 0.99405 g‚cm -3 as its density at 308.15 K. 9 The pycnometer, filled with degassed liquids, was kept in a transparent-walled water bath (maintained constant to (0.1 K) for (10 to 15) min to attain thermal equilibrium. The positions of the liquid levels in the two arms were recorded with the help of a traveling microscope, which could be read to (0.01 mm.…”

Section: Methodsmentioning

confidence: 99%

“…Solvent mixtures were prepared by mass using a Mettler balance with a precision of ±0.01 mg. Densities of the pure liquids and their mixtures were determined by using a 15 cm 3 double-walled pycnometer as described . The pycnometer with a capillary bore of about 2 mm was calibrated using conductivity water with 0.99405 g·cm -3 as its density at 308.15 K .…”

Section: Methodsmentioning

confidence: 99%

Densities, Viscosities, and Excess Properties for Binary Mixtures of Some Glycols and Polyglycols in N-Methylacetamide at 308.15 K

2003

Self Cite

View full text Add to dashboard Cite

Densities and viscosities have been measured at 308.15 K over the entire range of composition for N-methylacetamide with ethylene glycol, diethylene glycol, triethylene glycol, poly(ethylene glycol)-200, and poly(ethylene glycol)-300. From the experimental data, excess molar volumes (V E) and deviations in viscosity (Δη) have been calculated, and the deviations are fitted to a Redlich−Kister equation to obtain the binary coefficients and estimate the standard deviations between the experimental and calculated quantities. The values of V E are negative whereas the values of Δη are positive over the entire composition range.

show abstract

“…The uncertainty in the mole fraction is ±0.0001. Densities of the pure liquids and their mixtures are determined by using 10 cm 3 double-walled pycnometer with the help of travelling microscope [10]. The pycnometer with a capillary bore of about 1 mm is calibrated using conductivity water (conductivity less than 1 AE 10 À6 ohm À1 AE cm À1 ) with (997.0 and 994.0) kg AE m À3 as its density at T = (298.15 and 308.15) K, respectively [7].…”

Section: Apparatus and Proceduresmentioning

confidence: 99%

Densities and viscosities of binary liquid mixtures of N-methylacetamide with some chloroethanes and chloroethenes at T=308.15K

Sathyanarayana

Ranjithkumar

Jyostna

et al. 2007

The Journal of Chemical Thermodynamics

View full text Add to dashboard Cite

Densities and viscosities of propionic acid in benzene, methylbenzene, ethylbenzene, and propylbenzene

Cited by 22 publications

References 2 publications

Development of an Accurate Coarse-Grained Model of Poly(acrylic acid) in Explicit Solvents

Development of an Accurate Coarse-Grained Model of Poly(acrylic acid) in Explicit Solvents

Densities, Viscosities, and Excess Properties for Binary Mixtures of Some Glycols and Polyglycols in N-Methylacetamide at 308.15 K

Densities and viscosities of binary liquid mixtures of N-methylacetamide with some chloroethanes and chloroethenes at T=308.15K

Contact Info

Product

Resources

About