PHASE SEPARATION AND THERMODYNAMIC PROPERTIES OF BINARY SOFT-CORE MIXTURE

1980 ◽  
Vol 41 (C8) ◽  
pp. C8-313-C8-316
Author(s):  
T. Shiotani ◽  
T. Ichimura ◽  
A. Ueda
Keyword(s):  
Phase Separation ◽  
Thermodynamic Properties ◽  
Soft Core ◽  
Core Mixture

Impact of different diols/polyols on the phase separation behavior as well as thermodynamic properties of tween 80

2019 ◽  
Vol 32 (11) ◽  
Author(s):  
Afroja Akter Mishu ◽  
Md. Ruhul Amin ◽  
Malik Abdul Rub ◽  
Md. Anamul Hoque ◽  
Shariff E. Kabir ◽  
...  
Keyword(s):  
Phase Separation ◽  
Thermodynamic Properties ◽  
Tween 80 ◽  
Phase Separation Behavior ◽  
Separation Behavior

Molecular-Thermodynamic Approach to Predict Micellar Solution Properties

1989 ◽  
Vol 177 ◽  
Author(s):  
Daniel Blankschtein ◽  
Sudhakar Puvvada
Keyword(s):  
Phase Separation ◽  
Thermodynamic Properties ◽  
Micellar Solution ◽  
Thermodynamic Approach ◽  
Solution Properties ◽  
Micellar Solutions ◽  
Detailed Exposition ◽  
Conceptual Overview

IntroductionIn this paper we present a conceptual overview of our recently developed molecular-thermodynamic approach to predict micellization, thermodynamic properties, and phase separation of micellar solutions. A detailed exposition may be found in Ref..

scholarly journals Phase Behavior in NaSiCON Electrolytes and Electrodes

2020 ◽  
Author(s):  
Zeyu Deng ◽  
Gopalakrishnan Sai Gautam ◽  
Sanjeev Krishna Kolli ◽  
Jean-Nöel Chotard ◽  
Anthony K. Cheetham ◽  
...  
Keyword(s):  
Phase Diagram ◽  
Phase Separation ◽  
Transition Metal ◽  
Thermodynamic Properties ◽  
Solid Electrolyte ◽  
Phase Behavior ◽  
Density Functional ◽  
Electrode Materials ◽  
Density Functional Theory Calculations ◽  
Rhombohedral Structure

<p>The replacement of the presently used liquid electrolytes by a non-flammable solid electrolyte is an important avenue to create safer batteries. The Natrium Superionic CONductor<b> </b>(NaSiCON) Na<sub>1+x</sub>Zr<sub>2</sub>Si<sub>x</sub>P<sub>3-x</sub>O<sub>12</sub> (0 < x < 3) that displays high bulk ionic conductivity and good stability towards other NaSiCON-based electrodes is a good solid electrolyte in NaSiCON-based batteries. Despite the sizeable share of research on Na<sub>1+x</sub>Zr<sub>2</sub>Si<sub>x</sub>P<sub>3-x</sub>O<sub>12</sub>, the structural and thermodynamic properties of NaSiCON require better understanding for more efficient synthesis and optimization as a solid electrolyte, which often follows chemical intuition. Here, we analyze the thermodynamic properties of the NaSiCON electrolyte by constructing the Na<sub>1+x</sub>Zr<sub>2</sub>Si<sub>x</sub>P<sub>3-x</sub>O<sub>12</sub> phase diagram, based on density functional theory calculations, a cluster expansion framework, and Monte Carlo simulations. Specifically, we build the phase diagram as a function of temperature and composition (0 < x < 3) for the high-temperature rhombohedral structure, which has been also observed in several positive electrode materials, such as Na<sub>3</sub>Ti<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub>, Na<sub>3</sub>V<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub> and Na<sub>3</sub>Cr<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub>. Through the phase diagram, we identify the concentration domains providing the highest Na<sup>+</sup>-ion conductivity and previously unreported phase-separation behavior across three different single-phase regions. Further, we note the similarities in the phase behavior between Na<sub>1+x</sub>Zr<sub>2</sub>Si<sub>x</sub>P<sub>3-x</sub>O<sub>12</sub> and other NaSiCON-based mono-transition metal electrodes and discuss the potential competition between thermodynamics and kinetics in experimentally observed phase separation. Our work is an important addition in understanding the thermodynamics of NaSiCON-based materials and in the development of inexpensive Na-ion batteries. From our results we propose that the addition of SiO<sub>4</sub><sup>4–</sup> moieties to single-transition metal NaSiCON-phosphate-based electrodes will slow significantly the kinetics toward phase separation. </p>

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