Melting point and phase diagram of methanol as obtained from computer simulations of the OPLS model

2010 ◽  
Vol 132 (9) ◽  
pp. 094505 ◽  
Author(s):  
D. Gonzalez Salgado ◽  
C. Vega
Keyword(s):  
Phase Diagram ◽  
Melting Point ◽  
Computer Simulations

Conductivities of Binary Molten Alkalihalide/Silverhalide Mixtures

1991 ◽  
Vol 46 (1-2) ◽  
pp. 206-210
Author(s):  
H.-P. Boßmann ◽  
J. Richter ◽  
N. Struck
Keyword(s):  
Phase Transition ◽  
Phase Diagram ◽  
Melting Point ◽  
Temperature Coefficients ◽  
The Common ◽  
Common Anion

AbstractThe electric conductivities of molten (Na, Ag)Cl, (Rb.Ag)Cl, (Na,Ag)Br, (Rb. Ag)Br, and (Cs, Ag)Br are determined as functions of composition and temperature from the melting point to 1100 K. The relation of the temperature coefficients to the phase diagram of the systems (K.Ag)Cl, (Rb. Ag)Cl, (Cs, Ag)Cl, and (Cs, Ag)I near and at the phase transition (liquid-solid) is studied. The molar conductivities and mobilities of the cations with reference to the common anion are evaluated.

scholarly journals Phase diagram prediction and particle characterization of Sn-Ag nano alloy for low melting point lead-free solders

2012 ◽  
Vol 48 (3) ◽  
pp. 419-425 ◽  
Author(s):  
J. Sopousek ◽  
J. Vrestal ◽  
A. Zemanova ◽  
J. Bursi
Keyword(s):  
Phase Diagram ◽  
Melting Point ◽  
Inductively Coupled Plasma ◽  
Fine Powder ◽  
Melting Point Depression ◽  
Electron Microscopic ◽  
Inductively Coupled ◽  
Size Dependent ◽  
Powder Samples ◽  
Wet Synthesis

SnAg nanoparticles (SnAg NPs) were prepared by wet synthesis. The chemical composition of the SnAg NPs was obtained by inductively coupled plasma - mass spectrometry. The prepared fine powder samples were characterized by electron microscopic technique (SEM) and thermal analysis (DSC). The nanoparticles with different size were obtained. The size dependent melting point depression (MPD) of the SnAg NPs was determined experimentally. The size dependent phase diagram of the SnAg alloy was also calculated using CALPHAD method, which has been extended to describe the surface energy of SnAg nanoparticles. The same approach was used for SnAg eutectic MPD calculations. The own experimental and theoretical results were compared with the data of the other authors. The satisfactory agreement was found.

scholarly journals Calculation of the melting point of alkali halides by means of computer simulations

2012 ◽  
Vol 137 (10) ◽  
pp. 104507 ◽  
Author(s):  
J. L. Aragones ◽  
E. Sanz ◽  
C. Valeriani ◽  
C. Vega
Keyword(s):  
Melting Point ◽  
Computer Simulations ◽  
Alkali Halides

Phase diagram of the superconductor Bi2Sr2CaCu2O8+xnear its melting point

1992 ◽  
Vol 5 (7) ◽  
pp. 440-443 ◽  
Author(s):  
V G Bessergenev ◽  
A A Kamarzin ◽  
H Bach ◽  
M O Klimenkov
Keyword(s):  
Phase Diagram ◽  
Melting Point

A phase diagram of ammonia close to the melting point

2000 ◽  
Vol 72 (4) ◽  
pp. 299-308 ◽  
Author(s):  
S. Salihoğlu ◽  
Ö. Tari ◽  
H. Yurtseven
Keyword(s):  
Phase Diagram ◽  
Melting Point

Chiral co-crystal solid solution: structures, melting point phase diagram, and chiral enrichment of (ibuprofen)2(4,4-dipyridyl)

CrystEngComm ◽  
2010 ◽  
Vol 12 (5) ◽  
pp. 1485 ◽  
Author(s):  
Shuang Chen ◽  
Hanmi Xi ◽  
Rodger F. Henry ◽  
Ian Marsden ◽  
Geoff G. Z. Zhang
Keyword(s):  
Phase Diagram ◽  
Solid Solution ◽  
Melting Point ◽  
Solution Structures

Phase Diagram and Orientational Order of a System with Second and Fourth Rank Interactions

1997 ◽  
Vol 11 (16) ◽  
pp. 1937-1944 ◽  
Author(s):  
Cesare Chiccoli ◽  
Paolo Pasini ◽  
Claudio Zannoni
Keyword(s):  
Phase Diagram ◽  
Monte Carlo ◽  
Liquid Crystals ◽  
Computer Simulations ◽  
Order Parameter ◽  
Orientational Order ◽  
Mean Field ◽  
Rank One ◽  
Site Cluster ◽  
Typical Temperature

A simple generalized Lebwohl–Lasher model for liquid crystals, where a fourth rank interaction is added to the usual second rank one, is investigated in detail. We have obtained the phase diagram of the system performing extensive Monte Carlo computer simulations for a range of the fourth to the second rank relative strengths and we compare it with the prediction of Mean Field and Two Site Cluster theories. We show that the addition of a non-negligible fourth rank term significantly changes the temperature dependence of the order parameter. Fourth rank contributions larger than 20% worsen the agreement of the model with the typical temperature behavior of the order in nematics.

scholarly journals Phase diagram of hard board-like colloids from computer simulations

Soft Matter ◽  
2013 ◽  
Vol 9 (31) ◽  
pp. 7419 ◽  
Author(s):  
Stavros D. Peroukidis ◽  
Alexandros G. Vanakaras
Keyword(s):  
Phase Diagram ◽  
Computer Simulations

Enantiomeric 3-Chloromandelic Acid System: Binary Melting Point Phase Diagram, Ternary Solubility Phase Diagrams and Polymorphism

2010 ◽  
Vol 99 (9) ◽  
pp. 4084-4095 ◽  
Author(s):  
Tam Le Minh ◽  
Jan Von Langermann ◽  
Heike Lorenz ◽  
Andreas Seidel-Morgenstern
Keyword(s):  
Phase Diagram ◽  
Melting Point ◽  
Phase Diagrams ◽  
Acid System ◽  
Ternary Solubility
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