Metastable State during Melting and Solid–Solid Phase Transition of [CnMim][NO3] (n = 4–12) Ionic Liquids by Molecular Dynamics Simulation

2017 ◽  
Vol 122 (1) ◽  
pp. 229-239 ◽  
Author(s):  
Wudi Cao ◽  
Yanting Wang ◽  
Giacomo Saielli
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Ionic Liquids ◽  
Molecular Dynamics Simulation ◽  
Metastable State ◽  
Solid Phase ◽  
Dynamics Simulation ◽  
Solid Phase Transition

Molecular dynamics simulation of the pressure-induced phase transition in BaFCl

2002 ◽  
Vol 157 (6-12) ◽  
pp. 799-803 ◽  
Author(s):  
T. Kurobori ◽  
M. Liu ◽  
H. Tsunekawa ◽  
Y. Hirose ◽  
M. Takeuchi
Keyword(s):  
Phase Transition ◽  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Dynamics Simulation

Solidification of Ionic Liquids: Theory and Techniques

2010 ◽  
Vol 63 (4) ◽  
pp. 544 ◽  
Author(s):  
Anja-Verena Mudring
Keyword(s):  
Phase Transition ◽  
Ionic Liquid ◽  
Ionic Liquids ◽  
Solid Phase ◽  
Soft Materials ◽  
Separation Science ◽  
Vast Number ◽  
Plastic Crystals ◽  
Thermal Fluids ◽  
Solid Phase Transition

Ionic liquids (ILs) have become an important class of solvents and soft materials over the past decades. Despite being salts built by discrete cations and anions, many of them are liquid at room temperature and below. They have been used in a wide variety of applications such as electrochemistry, separation science, chemical synthesis and catalysis, for breaking azeotropes, as thermal fluids, lubricants and additives, for gas storage, for cellulose processing, and photovoltaics. It has been realized that the true advantage of ILs is their modular character. Each specific cation–anion combination is characterized by a unique, characteristic set of chemical and physical properties. Although ILs have been known for roughly a century, they are still a novel class of compounds to exploit due to the vast number of possible ion combinations and one fundamental question remains still inadequately answered: why do certain salts like ILs have such a low melting point and do not crystallize readily? This Review aims to give an insight into the liquid–solid phase transition of ILs from the viewpoint of a solid-state chemist and hopes to contribute to a better understanding of this intriguing class of compounds. It will introduce the fundamental theories of liquid–solid-phase transition and crystallization from melt and solution. Aside form the formation of ideal crystals the development of solid phases with disorder and of lower order like plastic crystals and liquid crystals by ionic liquid compounds are addressed. The formation of ionic liquid glasses is discussed and finally practical techniques, strategies and methods for crystallization of ionic liquids are given.

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