scholarly journals Re-entrant phase behaviour of network fluids: A patchy particle model with temperature-dependent valence

2011 ◽  
Vol 135 (3) ◽  
pp. 034501 ◽  
Author(s):  
J. Russo ◽  
J. M. Tavares ◽  
P. I. C. Teixeira ◽  
M. M. Telo da Gama ◽  
F. Sciortino
Keyword(s):  
Phase Behaviour ◽  
Particle Model ◽  
Temperature Dependent ◽  
Patchy Particle

A temperature-dependent critical Casimir patchy particle model benchmarked onto experiment

2021 ◽  
Vol 155 (3) ◽  
pp. 034902
Author(s):  
H. J. Jonas ◽  
S. G. Stuij ◽  
P. Schall ◽  
P. G. Bolhuis
Keyword(s):  
Particle Model ◽  
Temperature Dependent ◽  
Patchy Particle

Temperature-dependent phase behaviour of dihydroxy octadecanoic acid methyl esters: Influence of stereochemistry and position of the second polar moiety

2000 ◽  
Vol 2 (20) ◽  
pp. 4515-4520 ◽  
Author(s):  
Marina Fix ◽  
Manfred Sieber ◽  
Michael Overs ◽  
Hans J. Schäfer ◽  
Hans-Joachim Galla
Keyword(s):  
Methyl Esters ◽  
Phase Behaviour ◽  
Octadecanoic Acid ◽  
Temperature Dependent ◽  
Acid Methyl

A Temperature Dependent, Single Particle, Lithium Ion Cell Model Including Electrolyte Diffusion

2014 ◽  
Vol 137 (1) ◽  
Author(s):  
Tanvir R. Tanim ◽  
Christopher D. Rahn ◽  
Chao-Yang Wang
Keyword(s):  
Single Particle ◽  
Lithium Ion ◽  
Particle Model ◽  
Voltage Response ◽  
Model Parameters ◽  
Battery Management System ◽  
Temperature Dependent ◽  
Lithium Ion Cell ◽  
Pulse Charge ◽  
Wide Range

Low-order, explicit models of lithium ion cells are critical for real-time battery management system (BMS) applications. This paper presents a seventh-order, electrolyte enhanced single particle model (ESPM) with electrolyte diffusion and temperature dependent parameters (ESPM-T). The impedance transfer function coefficients are explicit in terms of the model parameters, simplifying the implementation of temperature dependence. The ESPM-T model is compared with a commercially available finite volume based model and results show accurate matching of pulse responses over a wide range of temperature (T) and C-rates (I). The voltage response to 30 s pulse charge–discharge current inputs is within 5% of the commercial code for 25 °C<T<50 °C at I≤12.5C and -10 °C<T<50°C at I≤1C for a graphite/nickel cobalt manganese (NCM) lithium ion cell.

scholarly journals Twist-Bend Nematogenic Supramolecular Dimers and Trimers Formed by Hydrogen Bonding

Crystals ◽  
2020 ◽  
Vol 10 (3) ◽  
pp. 175 ◽  
Author(s):  
Rebecca Walker ◽  
Damian Pociecha ◽  
Alfonso Martinez-Felipe ◽  
John MD Storey ◽  
Ewa Gorecka ◽  
...  
Keyword(s):  
Hydrogen Bonding ◽  
Phase Behaviour ◽  
X Ray Diffraction ◽  
Temperature Dependent ◽  
Smectic C ◽  
Donor And Acceptor ◽  
Nematic Phases ◽  
Selection Of ◽  
Do So ◽  
Terminal Chain

A selection of novel non-symmetric supramolecular liquid crystal dimers and trimers formed by hydrogen-bonding have been prepared and their phase behaviour characterised by polarised optical microscopy, X-ray diffraction and temperature-dependent Fourier-transform infrared spectroscopy. We mix the bent twist-bend nematogen 4-[6-(4’-cyanobiphenyl-4-yl) hexyloxy]-benzoic acid (CB6OBA) with a series of small stilbazole-based compounds 4-[(E)-2-(n-alkoxyphenyl)ethenyl]pyridines (nOS) of varying terminal chain length (n) to obtain the CB6OBA:nOS complexes. Complexes with n ≤ 7 exhibit nematic and twist-bend nematic behaviour, followed on cooling by a smectic C phase for n = 4–7, and finally, a hexatic-type smectic X phase for n = 3–7. Mixtures with n = 8–10 exhibit a smectic A phase below the conventional nematic phase, and on further cooling, a biaxial smectic Ab phase and the same hexatic-type SmX phase. Supramolecular trimers, CB6OBA:CB6OS and CB6OBA:1OB6OS, formed between CB6OBA and dimeric stilbazoles [(E)-2-(4-{[6-(4’-methoxy[1,1’-biphenyl]-4-yl)hexyl]oxy}phenyl)ethenyl]pyridine (1OB6OS) or 4-[(E)-4’-(6-{4-[(E)-2-(pyridin-4-yl)ethenyl]phenoxy}hexyl)[1,1’-biphenyl]-4- carbonitrile (CB6OS), exhibit nematic and twist-bend nematic phases, and are the first hydrogen-bonded trimers consisting of unlike donor and acceptor fragments to do so.

scholarly journals A molecular dynamics study of chemical gelation in a patchy particle model

Soft Matter ◽  
2008 ◽  
Vol 4 (6) ◽  
pp. 1173 ◽  
Author(s):  
Silvia Corezzi ◽  
Cristiano De Michele ◽  
Emanuela Zaccarelli ◽  
Daniele Fioretto ◽  
Francesco Sciortino
Keyword(s):  
Molecular Dynamics ◽  
Particle Model ◽  
Patchy Particle

Role of the Range in the Fluid−Crystal Coexistence for a Patchy Particle Model

2009 ◽  
Vol 113 (46) ◽  
pp. 15133-15136 ◽  
Author(s):  
Flavio Romano ◽  
Eduardo Sanz ◽  
Francesco Sciortino
Keyword(s):  
Particle Model ◽  
Patchy Particle

A versatile model for soft patchy particles with various patch arrangements

Soft Matter ◽  
2016 ◽  
Vol 12 (3) ◽  
pp. 741-749 ◽  
Author(s):  
Zhan-Wei Li ◽  
You-Liang Zhu ◽  
Zhong-Yuan Lu ◽  
Zhao-Yan Sun
Keyword(s):  
Aggregation Behavior ◽  
Particle Model ◽  
Geometrical Arrangement ◽  
Patchy Particles ◽  
Patchy Particle

A simple and general mesoscale soft patchy particle model is proposed to investigate the aggregation behavior and mechanism of various types of soft patchy particles with tunable number, size, direction, and geometrical arrangement of the patches.

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