Improvement on Lennard-Jones–Devonshire theory for predicting liquid–solid phase transition

1999 ◽  
Vol 111 (22) ◽  
pp. 10236-10241 ◽  
Author(s):  
Hamid Modarress ◽  
Ebrahim Ahmadnia ◽  
G. Ali Mansoori
Keyword(s):  
Phase Transition ◽  
Solid Phase ◽  
Lennard Jones ◽  
Solid Phase Transition

Liquid-solid phase transition in the Lennard-Jones system

2010 ◽  
Vol 82 (5) ◽  
Author(s):  
Sergey A. Khrapak ◽  
Manis Chaudhuri ◽  
Gregor E. Morfill
Keyword(s):  
Phase Transition ◽  
Solid Phase ◽  
Lennard Jones ◽  
Solid Phase Transition

Monte Carlo studies of the fluid‐solid phase transition in the Lennard‐Jones system

1974 ◽  
Vol 61 (5) ◽  
pp. 1960-1969 ◽  
Author(s):  
William B. Streett ◽  
Harold J. Raveché ◽  
Raymond D. Mountain
Keyword(s):  
Phase Transition ◽  
Monte Carlo ◽  
Solid Phase ◽  
Lennard Jones ◽  
Monte Carlo Studies ◽  
Solid Phase Transition

scholarly journals Sound Velocities of Generalized Lennard-Jones (n − 6) Fluids Near Freezing

Molecules ◽  
2021 ◽  
Vol 26 (6) ◽  
pp. 1660
Author(s):  
Sergey Khrapak
Keyword(s):  
Phase Transition ◽  
Solid Phase ◽  
Minor Effect ◽  
Soft Sphere ◽  
Lennard Jones ◽  
Solid Phase Transition ◽  
Hard Sphere Models ◽  
A Minor ◽  
Boundary Lines ◽  
Sound Velocities

In a recent paper [S. Khrapak, Molecules 25, 3498 (2020)], the longitudinal and transverse sound velocities of a conventional Lennard–Jones system at the liquid–solid coexistence were calculated. It was shown that the sound velocities remain almost invariant along the liquid–solid coexistence boundary lines and that their magnitudes are comparable with those of repulsive soft-sphere and hard-sphere models at the fluid–solid phase transition. This implies that attraction does not considerably affect the magnitude of the sound velocities at the fluid–solid phase transition. This paper provides further evidence to this by examining the generalized Lennard–Jones (n − 6) fluids with n ranging from 12 to 7 and demonstrating that the steepness of the repulsive term has only a minor effect on the magnitude of the sound velocities. Nevertheless, these minor trends are identified and discussed.

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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