Undulation-enhanced electrostatic forces in lamellar phases of fluid membranes

1994 ◽  
Vol 4 (9) ◽  
pp. 1541-1555 ◽  
Author(s):  
Renko de Vries
1991 ◽  
Vol 1 (9) ◽  
pp. 1121-1132 ◽  
Author(s):  
M. Skouri ◽  
J. Marignan ◽  
J. Appell ◽  
G. Porte

1990 ◽  
Vol 51 (21) ◽  
pp. 2395-2398 ◽  
Author(s):  
Shigeyuki Komura ◽  
Artur Baumgärtner

2000 ◽  
Vol 10 (1-2) ◽  
pp. 15
Author(s):  
Eugene Sprague ◽  
Julio C. Palmaz ◽  
Cristina Simon ◽  
Aaron Watson

Author(s):  
Michael P. Allen ◽  
Dominic J. Tildesley

This chapter contains the essential statistical mechanics required to understand the inner workings of, and interpretation of results from, computer simulations. The microcanonical, canonical, isothermal–isobaric, semigrand and grand canonical ensembles are defined. Thermodynamic, structural, and dynamical properties of simple and complex liquids are related to appropriate functions of molecular positions and velocities. A number of important thermodynamic properties are defined in terms of fluctuations in these ensembles. The effect of the inclusion of hard constraints in the underlying potential model on the calculated properties is considered, and the addition of long-range and quantum corrections to classical simulations is presented. The extension of statistical mechanics to describe inhomogeneous systems such as the planar gas–liquid interface, fluid membranes, and liquid crystals, and its application in the simulation of these systems, are discussed.


Molecules ◽  
2021 ◽  
Vol 26 (13) ◽  
pp. 3946
Author(s):  
Rui A. Gonçalves ◽  
Yeng-Ming Lam ◽  
Björn Lindman

Double-chain amphiphilic compounds, including surfactants and lipids, have broad significance in applications like personal care and biology. A study on the phase structures and their transitions focusing on dioctadecyldimethylammonium chloride (DODAC), used inter alia in hair conditioners, is presented. The phase behaviour is dominated by two bilayer lamellar phases, Lβ and Lα, with “solid” and “melted” alkyl chains, respectively. In particular, the study is focused on the effect of additives of different polarity on the phase transitions and structures. The main techniques used for investigation were differential scanning calorimetry (DSC) and small- and wide-angle X-ray scattering (SAXS and WAXS). From the WAXS reflections, the distance between the alkyl chains in the bilayers was obtained, and from SAXS, the thicknesses of the surfactant and water layers. The Lα phase was found to have a bilayer structure, generally found for most surfactants; a Lβ phase made up of bilayers with considerable chain tilting and interdigitation was also identified. Depending mainly on the polarity of the additives, their effects on the phase stabilities and structure vary. Compounds like urea have no significant effect, while fatty acids and fatty alcohols have significant effects, but which are quite different depending on the nonpolar part. In most cases, Lβ and Lα phases exist over wide composition ranges; certain additives induce transitions to other phases, which include cubic, reversed hexagonal liquid crystals and bicontinuous liquid phases. For a system containing additives, which induce a significant lowering of the Lβ–Lα transition, we identified the possibility of a triggered phase transition via dilution with water.


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