Phase Diagram for Reversibly-Assembled Rod-Like Aggregates: Nematic, Columnar and Crystalline Ordering

1989 ◽  
Vol 177 ◽  
Author(s):  
Mark P. Taylor ◽  
Judith Herzfeld
Keyword(s):  
Phase Diagram ◽  
Configurational Entropy ◽  
Aggregate Size ◽  
Calculated Phase Diagram ◽  
Size Distributions ◽  
Characteristic Sequence ◽  
Experimental Phase ◽  
Amphiphilic Molecules ◽  
A Cell ◽  
Orientational Ordering

ABSTRACTAqueous solutions of amphiphilic molecules which reversibly assemble into well defined polydisperse rod-like aggregates display a characteristic sequence of lyotropic mesophases including translational as well as orientational ordering. We have developed a model for such systems which incorporates a phenomenological description of aggregate assembly with a scaled particle calculation of the configurational entropy in the fluid dimensions and a cell theory description of the configurational entropy in the translationally ordered dimensions. The model reproduces many of the features seen in the experimental phase diagrams, including regions of isotropic, nematic, columnar and crystalline stability. In addition to the calculated phase diagram, related aggregate size distributions are reported.

scholarly journals Self-Assembly of Microscopic Rods Due to Depletion Interaction

Entropy ◽  
2020 ◽  
Vol 22 (10) ◽  
pp. 1114
Author(s):  
Carles Calero ◽  
Ignacio Pagonabarraga
Keyword(s):  
Equilibrium State ◽  
Thermodynamic Model ◽  
Self Assembly ◽  
Strong Dependence ◽  
Aggregate Size ◽  
The Self ◽  
Size Distributions ◽  
Depletion Interaction ◽  
Amphiphilic Molecules ◽  
Thermodynamic Equilibrium State

In this article, using numerical simulations we investigate the self-assembly of rod-like particles in suspension due to depletion forces which naturally emerge due to the presence of smaller spherical depletant particles. We characterize the type of clusters that are formed and the evolution of aggregation departing from a random initial configuration. We show that eventually the system reaches a thermodynamic equilibrium state in which the aggregates break and reform dynamically. We investigate the equilibrium state of aggregation, which exhibits a strong dependence on depletant concentration. In addition, we provide a simple thermodynamic model inspired on the theory of self-assembly of amphiphilic molecules which allows us to understand qualitatively the equilibrium aggregate size distributions that we obtain in simulation.

scholarly journals Thermodynamic reassessment of the La-Mn system

2012 ◽  
Vol 48 (3) ◽  
pp. 391-394
Author(s):  
Y. Wang ◽  
B. Hu ◽  
S. Liu ◽  
Y. Du
Keyword(s):  
Experimental Data ◽  
Phase Diagram ◽  
Thermodynamic Data ◽  
Calculated Phase Diagram ◽  
Miscibility Gap ◽  
Calphad Approach ◽  
Experimental Phase ◽  
Experimental Phase Diagram ◽  
Gibbs Energies ◽  
Consistent Thermodynamic Data

The binary La-Mn system is investigated by CALPHAD approach. The experimental phase diagram and thermodynamic data available in the literature are critically reviewed and assessed using the thermodynamic models for the Gibbs energies of individual phases. A set of consistent thermodynamic data for the La-Mn system is obtained by optimization of the selected experimental data. The miscibility gap is no more existent in the optimized phase diagram. The calculated phase diagram agrees well with the experimental data.

Thermodynamic Re-Assessment of the Co-Nb System

2008 ◽  
Vol 1128 ◽  
Author(s):  
Cuiyun He ◽  
Frank Stein ◽  
M. Palm ◽  
Dierk Raabe
Keyword(s):  
Experimental Data ◽  
Phase Diagram ◽  
Thermodynamic Assessment ◽  
Phase Diagram Data ◽  
Calculated Phase Diagram ◽  
Experimental Phase ◽  
Laves Phases ◽  
Experimental Phase Diagram ◽  
Gibbs Energies ◽  
The Individual

AbstractA new thermodynamic assessment of the Co-Nb system is presented. All experimental phase diagram data available from the literature have been critically reviewed and assessed using thermodynamic models for the Gibbs energies of the individual phases (Thermo-Calc). Compared to previous assessments more elaborate models for the description of the C14 and C36 Laves phases and for the μ phase were employed. Thereby a calculated phase diagram is obtained which satisfactorily agrees with the experimental data.

Experimental phase diagram of lithium-intercalated graphite

1983 ◽  
Vol 27 (12) ◽  
pp. 7831-7834 ◽  
Author(s):  
K. C. Woo ◽  
Helen Mertwoy ◽  
J. E. Fischer ◽  
W. A. Kamitakahara ◽  
D. S. Robinson
Keyword(s):  
Phase Diagram ◽  
Experimental Phase ◽  
Experimental Phase Diagram ◽  
Intercalated Graphite

The system 1,2,4,5-tetrachlorobenzene + 1,2,4,5-tetrabromobenzene. part l. Experimental phase diagram (93-460 K)

1991 ◽  
Vol 177 ◽  
pp. 169-186 ◽  
Author(s):  
D. Mondieig ◽  
J.R. Housty ◽  
Y. Haget ◽  
M.A. Cuevas-Diarte ◽  
H.A.J. Oonk
Keyword(s):  
Phase Diagram ◽  
Experimental Phase ◽  
Experimental Phase Diagram

scholarly journals Thermodynamic modeling of the Al-K system

2009 ◽  
Vol 45 (1) ◽  
pp. 89-93 ◽  
Author(s):  
Y. Du ◽  
X. Yuan ◽  
W. Sun ◽  
B. Hu
Keyword(s):  
Phase Diagram ◽  
Gas Phase ◽  
Thermodynamic Modeling ◽  
Phase Diagram Data ◽  
Ideal Gas ◽  
Monotectic Reaction ◽  
Present Calculation ◽  
Experimental Phase ◽  
Experimental Phase Diagram ◽  
Ideal Gas Model

A thermodynamic modeling for the Al-K system is conducted. The thermodynamic parameters for liquid, (Al), and (K) are evaluated by using the experimental phase diagram data from the literature. The gas phase is described with an ideal gas model. The calculated Al-K phase diagram agrees well with the experimental data. In particular, the observed monotectic reaction is well described by the present calculation.

Short communication on experimental phase diagram of the Fe corner in the Fe-Nb-Zr system at 800 °C

2018 ◽  
Vol 509 ◽  
pp. 158-161 ◽  
Author(s):  
C. Arreguez ◽  
M.R. Tolosa ◽  
D. Arias ◽  
C. Corvalán ◽  
N. Nieva
Keyword(s):  
Phase Diagram ◽  
Short Communication ◽  
Experimental Phase ◽  
Experimental Phase Diagram
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