ABSTRACT

Densities and viscosities were measured for the aqueous buffer (MES, MOPS, or MOPSO) solutions containing different concentrations of polyvinylpyrrolidone (PVP) (5, 10, 15, 20 and 30) mass% at temperatures from (298.15 to 318.15) K under atmospheric pressure. The DFT calculations were also performed and the binding energies of the possible (PVP + buffer) complexes were obtained. The experimental and computational results reveal the interactions of the PVP with the constituent compounds in the aqueous buffer solutions. Additionally we have explored the solvation behavior of the buffers by measuring the densities and the viscosities data of the aqueous buffer solutions from (0.0 to 1.0) mol kg 1 at temperatures from (298.15 to 318.15) K. The viscosity results were correlated with the Jones Dole equation. The correlated results confirmed that all the investigated buffers behave as Kosmotropes (structure makers).

Compounds

#	Formula	Name
1	C6H13NO4S	4-morpholineethanesulfonic acid
2	C7H15NO4S	4-morpholinepropanesulfonic acid
3	C7H15NO5S	3-morpholino-2-hydroxypropanesulfonic acid
4	H2O	water

Datasets

The table above is generated from the ThermoML associated json file (link above). POMD and RXND refer to PureOrMixture and Reaction Datasets. The compound numbers are included in properties, variables, and phases, if specificied; the numbers refer to the table of compounds on the left.
Type	Compound-#	Property	Variable	Constraint	Phase	Method	#Points
POMD	4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	3
POMD	4	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid	Pressure, kPa; Liquid	Liquid	Falling or rolling sphere viscometry	3
POMD	1 4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	21
POMD	1 4	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 1; Liquid	Pressure, kPa; Liquid	Liquid	Falling or rolling sphere viscometry	21
POMD	2 4	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	21
POMD	2 4	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 2; Liquid	Pressure, kPa; Liquid	Liquid	Falling or rolling sphere viscometry	21
POMD	4 3	Mass density, kg/m3 ; Liquid	Temperature, K; Liquid Molality, mol/kg - 3; Liquid	Pressure, kPa; Liquid	Liquid	Vibrating tube method	21
POMD	4 3	Viscosity, Pa*s ; Liquid	Temperature, K; Liquid Molality, mol/kg - 3; Liquid	Pressure, kPa; Liquid	Liquid	Falling or rolling sphere viscometry	21

Thermodynamics Research Center / ThermoML | Journal of Chemical Thermodynamics

Solvation consequences of polymer PVP with biological buffers MES, MOPS, and MOPSO in aqueous solutions

Gupta, B. S.[Bhupender S.], Chen, B.-R.[Bo-Ren], Lee, M.-J.[Ming-Jer]

ABSTRACT