Effect of modification of binary solvent molecules on ε-CL-20 crystal morphology: a molecular dynamics study

CrystEngComm ◽  
2021 ◽  
Author(s):  
Yanpeng Zhao ◽  
Guanwen Su ◽  
Guozhao Liu ◽  
Hongyuan Wei ◽  
Leping Dang
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Crystal Morphology ◽  
Dynamics Simulation ◽  
Binary Solvent ◽  
Binary Solvent Systems ◽  
Solvent Systems ◽  
Solvent Molecules

The effects of thirteen binary solvent systems on the growth of CL-20 were studied by molecular dynamics simulation, and the effect of antisolvent properties on the solvent inhibition was systematically investigated.

scholarly journals Crystal morphology of 3,4-bis(3-nitrofurazan-4-yl)furoxan (DNTF) in a solvent system: molecular dynamics simulation and sensitivity study

CrystEngComm ◽  
2016 ◽  
Vol 18 (16) ◽  
pp. 2843-2851 ◽  
Author(s):  
Ning Liu ◽  
Ya-nan Li ◽  
Svatopluk Zeman ◽  
Yuan-jie Shu ◽  
Bo-zhou Wang ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Crystal Morphology ◽  
Solvent System ◽  
Sensitivity Study ◽  
Dynamics Simulation

The study of external growth environments on the crystal morphology of ε-HNIW by molecular dynamics simulation

2018 ◽  
Vol 53 (18) ◽  
pp. 12921-12936 ◽  
Author(s):  
Guanchao Lan ◽  
Shaohua Jin ◽  
Jing Li ◽  
Junying Wang ◽  
Jinxin Li ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Crystal Morphology ◽  
Dynamics Simulation ◽  
External Growth

scholarly journals Molecular dynamics simulations of solvent effects on the crystal morphology of lithium carbonate

RSC Advances ◽  
2020 ◽  
Vol 10 (10) ◽  
pp. 5604-5609 ◽  
Author(s):  
Hang Chen ◽  
Shaojun Duan ◽  
Yuzhu Sun ◽  
Xingfu Song ◽  
Jianguo Yu
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Solvent Effect ◽  
Molecular Dynamics Simulations ◽  
Solvent Effects ◽  
Crystal Morphology ◽  
Lithium Carbonate ◽  
Dynamics Simulation ◽  
Dynamics Simulations

Molecular dynamics simulation investigations of the crystal morphology of lithium carbonate with the solvent effect.

Solvation structure of lanthanide(iii) bistriflimide salts in acetonitrile solution: a molecular dynamics simulation and EXAFS investigation

2019 ◽  
Vol 21 (24) ◽  
pp. 13058-13069 ◽  
Author(s):  
Valentina Migliorati ◽  
Adriano Filipponi ◽  
Francesco Sessa ◽  
Andrea Lapi ◽  
Alessandra Serva ◽  
...  
Keyword(s):  
Molecular Dynamics ◽  
Molecular Dynamics Simulation ◽  
Coordination Complexes ◽  
Dynamics Simulation ◽  
Acetonitrile Solution ◽  
Solvation Structure ◽  
Acetonitrile Solutions ◽  
Solvent Molecules

Lanthanide3+ ions in acetonitrile solutions of bistriflimide salts form 10-fold coordination complexes composed of both solvent molecules and counterions

Sign in / Sign up

Export Citation Format

Share Document