Molecular simulation of complete phase diagrams for binary mixtures

AIChE Journal ◽  
2001 ◽  
Vol 47 (7) ◽  
pp. 1664-1675 ◽  
Author(s):  
Monica H. Lamm ◽  
Carol K. Hall
Keyword(s):  
Phase Diagrams ◽  
Molecular Simulation ◽  
Binary Mixtures

Application of molecular simulation to derive phase diagrams of binary mixtures

1992 ◽  
Vol 25 (14) ◽  
pp. 3667-3676 ◽  
Author(s):  
Cun Feng Fan ◽  
Barry D. Olafson ◽  
Mario Blanco ◽  
Shaw Ling Hsu
Keyword(s):  
Phase Diagrams ◽  
Molecular Simulation ◽  
Binary Mixtures

DSC measurement and prediction of phase diagrams for binary mixtures of energetic materials’ stabilizers

2013 ◽  
Vol 565 ◽  
pp. 8-16 ◽  
Author(s):  
Djalal Trache ◽  
Kamel Khimeche ◽  
Riad Benelmir ◽  
Abdallah Dahmani
Keyword(s):  
Phase Diagrams ◽  
Binary Mixtures ◽  
Energetic Materials

Phase diagrams of binary mixtures of biaxial nematogens

1994 ◽  
Vol 17 (1) ◽  
pp. 31-45 ◽  
Author(s):  
Jon M. Goetz ◽  
Gina L. Hoatson
Keyword(s):  
Phase Diagrams ◽  
Binary Mixtures

Phase Diagrams of Binary Mixtures of Phenylenediamines and Dihydroxybenzenes

1977 ◽  
Vol 32 (1) ◽  
pp. 98-100
Author(s):  
M. S. Dhillon
Keyword(s):  
Phase Diagrams ◽  
Binary Mixtures ◽  
Melting Temperatures ◽  
Solid Liquid

Abstract Solid - liquid equilibria for o-phenylenediamine + resorcinol, m-phenylenediamine + pyrocatechol, + resorcinol and p-phenylenediamine + pyrocatechol, + resorcinol have been studied by the thaw-melt method. The types and melting temperatures of the complexes formed in theses mixtures were ascertained from the phase diagrams.

Phase Diagrams of Binary Mixtures of Antiferroelectric and Ferroelectric Compounds with Lactate Units in the Mesogenic Core

2004 ◽  
Vol 309 (1) ◽  
pp. 103-109 ◽  
Author(s):  
V. NOVOTNÁ ◽  
V. HAMPLOVÁ ◽  
M. KAšPAR ◽  
M. GLOGAROVÁ ◽  
A. BUBNOV ◽  
...  
Keyword(s):  
Phase Diagrams ◽  
Binary Mixtures

scholarly journals Correction: Automated determination of n-cyanobiphenyl and n-cyanobiphenyl binary mixtures elastic constants in the nematic phase from molecular simulation

2020 ◽  
Vol 5 (8) ◽  
pp. 1437-1437
Author(s):  
Jiale Shi ◽  
Hythem Sidky ◽  
Jonathan K. Whitmer
Keyword(s):  
Molecular Simulation ◽  
Binary Mixtures ◽  
Elastic Constants ◽  
Nematic Phase ◽  
Automated Determination

Correction for ‘Automated determination of n-cyanobiphenyl and n-cyanobiphenyl binary mixtures elastic constants in the nematic phase from molecular simulation’ by Jiale Shi et al., Mol. Syst. Des. Eng., 2020, 5, 1131–1136, DOI: 10.1039/C9ME00065H.

Adsorption properties of CH4 and CO2 in quartz nanopores studied by molecular simulation

RSC Advances ◽  
2016 ◽  
Vol 6 (39) ◽  
pp. 32770-32778 ◽  
Author(s):  
Haoyang Sun ◽  
Wenchao Sun ◽  
Hui Zhao ◽  
Yange Sun ◽  
Dianrui Zhang ◽  
...  
Keyword(s):  
Molecular Simulation ◽  
Binary Mixtures ◽  
Adsorption Isotherms ◽  
Competitive Adsorption ◽  
Adsorption Properties ◽  
Density Distributions ◽  
Adsorption Density ◽  
Surface Hydroxylation

Competitive adsorption isotherms and adsorption density distributions of binary mixtures containing CH4 and CO2 in nanopores with 100% and 60% surface hydroxylation at 323 K.

On the solid–liquid phase diagrams of binary mixtures of even saturated fatty alcohols: Systems exhibiting peritectic reaction

2014 ◽  
Vol 589 ◽  
pp. 137-147 ◽  
Author(s):  
Natália D.D. Carareto ◽  
Adenílson O. dos Santos ◽  
Marlus P. Rolemberg ◽  
Lisandro P. Cardoso ◽  
Mariana C. Costa ◽  
...  
Keyword(s):  
Liquid Phase ◽  
Phase Diagrams ◽  
Binary Mixtures ◽  
Peritectic Reaction ◽  
Fatty Alcohols ◽  
Solid Liquid
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