On the micro-heterogeneous structure of neat and aqueous Propylamine (cas 107-10-8) mixtures: A computer simulation study
-
Add time:08/22/2019 Source:sciencedirect.com
The micro-heterogeneous structure of neat and aqueous Propylamine (cas 107-10-8) is examined through computer simulations. Neat propylamine is found to have a pre-peak in the nitrogen-nitrogen structure factor, due to the presence of branched chain-like aminogen clusters. Aqueous propylamine mixtures are found to be micro-segregated at all amine concentrations. Both the water-water and the amine nitrogen-nitrogen structure factors show the caracteristic domain pre-peaks in their respective moderate to high contents. The amine cluster pre-peak, still visible at high amine content, disappears into the domain pre-peak at lower amine contents. Interestingly, water domains form linears clusters for water concentrations below equimolar. We discuss the specificity the amine brings to the nature of the water clustering as compared with other type of solutes. In particular, we find that the Kirkwood-Buff integrals are quasi-ideal in the amine mole fraction range 0.3 < x < 1, which we interpret as being consistent with the linear water clusters observed in this range, and which act as individual supra-molecular entities. We conjecture that such cluster shapes are consistent with the existence of a lower critical solution temperature for this system as well as other aqueous amines.
We also recommend Trading Suppliers and Manufacturers of Propylamine (cas 107-10-8). Pls Click Website Link as below: cas 107-10-8 suppliers
Prev:Original articleα-Titanium phosphate intercalated with Propylamine (cas 107-10-8): An alternative pathway for efficient europium(III) uptake into layered tetravalent metal phosphates
Next:Synthesis, crystal structure and infrared spectra of new 6- and 7-Propylamine (cas 107-10-8)-5,8-quinolinediones) - 【Back】【Close 】【Print】【Add to favorite 】
- Related Information
- Thermodynamics of mixtures with strongly negative deviations from Raoult's law. XVI. Permittivities and refractive indices for 1-alkanol + di-n-Propylamine (cas 107-10-8) systems at (293.15–303.15) K. Application of the Kirkwood-Fröhlich model08/27/2019
- Synthesis of large optically clear SAPO-47 single crystals using n-Propylamine (cas 107-10-8) as template08/26/2019
- Kinetics of CO2 absorption into aqueous solutions of 3-dimethylamino-1-propanol and 1-(2-hydroxyethyl)pyrrolidine in the blend with 3-(methylamino)Propylamine (cas 107-10-8)08/25/2019
- Vapour-liquid equilibrium study of tertiary amines, single and in blend with 3-(methylamino)Propylamine (cas 107-10-8), for post-combustion CO2 capture08/24/2019
- Synthesis, crystal structure and infrared spectra of new 6- and 7-Propylamine (cas 107-10-8)-5,8-quinolinediones08/23/2019
- Original articleα-Titanium phosphate intercalated with Propylamine (cas 107-10-8): An alternative pathway for efficient europium(III) uptake into layered tetravalent metal phosphates08/21/2019
- Molecular association of small amphiphiles: Origin of ionic liquid properties in dibutyl phosphate/Propylamine (cas 107-10-8) binary mixtures08/20/2019
- Full Length ArticleDFT-D study of adsorption of diaminoethane and Propylamine (cas 107-10-8) molecules on anatase (101) TiO2 surface08/19/2019
- Synthesis, characterization, lipophilicity and cytotoxic properties of novel bis(carboxylato)oxalatobis(1-Propylamine (cas 107-10-8))platinum(IV) complexes08/18/2019