scholarly journals High-Pressure Equation of State of 1,3,5-triamino-2,4,6-trinitrobenzene: Insights into the Monoclinic Phase Transition, Hydrogen Bonding, and Anharmonicity

2020 ◽  
Vol 124 (50) ◽  
pp. 10580-10591
Author(s):  
Brad A. Steele ◽  
Elissaios Stavrou ◽  
Vitali B. Prakapenka ◽  
Matthew P. Kroonblawd ◽  
I-Feng W. Kuo
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Hydrogen Bonding ◽  
Equation Of State ◽  
Monoclinic Phase ◽  
Pressure Equation

High-pressure equation of state and phase transition in PbAl2Si2O8feldspar

2015 ◽  
Vol 100 (7) ◽  
pp. 1568-1577 ◽  
Author(s):  
Nadia Curetti ◽  
Piera Benna ◽  
Emiliano Bruno
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Equation Of State ◽  
Pressure Equation

Equation of state and phase transition of antigorite under high pressure and high temperature

2014 ◽  
Vol 228 ◽  
pp. 56-62 ◽  
Author(s):  
Cuiping Yang ◽  
Toru Inoue ◽  
Akihiro Yamada ◽  
Takumi Kikegawa ◽  
Jun-ichi Ando
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
High Temperature ◽  
Equation Of State

High-pressure phase transition and equation of state of CsI

1990 ◽  
Vol 64 (15) ◽  
pp. 1749-1752 ◽  
Author(s):  
H. K. Mao ◽  
Y. Wu ◽  
R. J. Hemley ◽  
L. C. Chen ◽  
J. F. Shu ◽  
...  
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Equation Of State ◽  
High Pressure Phase ◽  
High Pressure Phase Transition ◽  
Pressure Phase

A new high-pressure benzocaine polymorph — towards understanding the molecular aggregation in crystals of an important active pharmaceutical ingredient (API)

2020 ◽  
Vol 76 (1) ◽  
pp. 56-64 ◽  
Author(s):  
Ewa Patyk-Kaźmierczak ◽  
Michał Kaźmierczak
Keyword(s):  
Phase Transition ◽  
High Pressure ◽  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Ambient Pressure ◽  
Active Pharmaceutical Ingredient ◽  
Molecular Packing ◽  
Molecular Aggregation ◽  
Pressure Release ◽  
Hydrogen Bonding Pattern

Benzocaine (BZC), an efficient and highly permeable anaesthetic and an active pharmaceutical ingredient of many commercially available drugs, was studied under high pressure up to 0.78 GPa. As a result, new BZC polymorph (IV) was discovered. The crystallization of polymorph (IV) can be initiated by heating crystals of polymorph (I) at a pressure of at least 0.45 GPa or by their compression to 0.60 GPa. However, no phase transition from polymorph (I) to (IV) was observed. Although polymorph (IV) exhibits the same main aggregation motif as in previously reported BZC polymorphs (I)–(III), i.e. a hydrogen-bonded ribbon, its molecular packing and hydrogen-bonding pattern differ considerably. The N—H...N hydrogen bonds joining parallel BZC ribbons in crystals at ambient pressure are eliminated in polymorph (IV), and BZC ribbons become positioned at an angle of about 80°. Unfortunately, crystals of polymorph (IV) were not preserved on pressure release, and depending on the decompression protocol they transformed into polymorph (II) or (I).

Mean-field potential calculations of high-pressure equation of state for BeO

2008 ◽  
Vol 17 (4) ◽  
pp. 1341-1348 ◽  
Author(s):  
Zhang Qi-Li ◽  
Zhang Ping ◽  
Song Hai-Feng ◽  
Liu Hai-Feng
Keyword(s):  
High Pressure ◽  
Equation Of State ◽  
Mean Field ◽  
Field Potential ◽  
Pressure Equation ◽  
Mean Field Potential
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