Phase Transitions in Melts of Alternating Rodlike Copolymers: Monte Carlo Simulation by the Wang‐Landau Approach

Berezkin, Anatoly V.

doi:10.1002/mats.200800012

Cited by 3 publications

(3 citation statements)

References 35 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The parameter R i changes in the range from 0 for a completely disordered monolayer to 1 for an ideal one. It was shown in papers18, 19 that regularity depends very essentially on the sequence of units in the copolymer, assuming the other conditions (temperature and energy of intermolecular interactions) to be equivalent. In other words, there are “good” sequences capable of selective self‐organization providing rather high values of R i , in contrast to the “bad” ones forming ordered layers with smaller R i .…”

Section: Model and Calculation Techniquementioning

confidence: 99%

“…We have previously studied the laying of identical rod‐like copolymers into smectic monolayers,18 and the behavior of alternating copolymers in ordered melts 19. We have shown18 that the regularity of the monolayer ( R ), i.e., the thermodynamic probability of an arbitrary molecule's being in the most favorable position (state a in Figure 1) depends essentially on the copolymeric sequence.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Molecular Recognition in Solutions of Rod‐Like Copolymers with Two Different Sequences

Lazutin

Berezkin

2009

Macro Theory & Simulations

Self Cite

View full text Add to dashboard Cite

Segregation in a solution of rigid copolymeric molecules with two different sequences leading to co‐existence of two smectic mesophases has been studied. Thermodynamic characteristics of these mesophases and their equilibrium compositions were found in the frame of two discrete models. It was shown that the degree of ordering in the mesophase depends on the sequence of units in the identical molecules forming this mesophase. The concentration of “mismatched” molecules in the mesophase (the purity of mesophase) is determined both by the composition and the sequence of such molecules. It was shown, that a difference in the sequences can be sufficient to cause phase separation.magnified image

show abstract

Section: Model and Calculation Techniquementioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Molecular Recognition in Solutions of Rod‐Like Copolymers with Two Different Sequences

Lazutin

Berezkin

2009

Macro Theory & Simulations

Self Cite

View full text Add to dashboard Cite

show abstract

“…Regular di and multiblock AB copolymers easily form ordered structures via microsegregation if inter chain contacts of A and B units are unfavorable [1,2]. In addition, irregular (statistical) copolymers are capable of self organization, although any disorder in the distribution over block length hampers ordering [3].…”

Section: Introductionmentioning

confidence: 99%

Lateral ordering during self-organization of statistical multiblock copolymers

2011

View full text Add to dashboard Cite

The self organization of statistical multiblock and Bernoulli AB copolymers is studied. The initial ensemble is generated via the polymer analogous reaction A→B that proceeds with the accelerating effect of neighboring B units. In a two dimensional model, the reaction is performed in a rectangle composed of stretched chains. Then, the rectangle is closed into a cylinder, so that ring chains are located on its side sur face. The self organization of the ensemble is simulated via the successive rotation of each upper ring over the lower ring until arrangement with the maximum (in modulus) energy of attraction between chains is attained. Self organization by energy is accompanied by lateral ordering: the sizes of clusters-accumulations of the one type units-and mean heights H A (H B) of stems-columns consisting of A or B units perpendicular to chains-increase. The ratio between the values of H A , as well as H B , for ordered and initial ensembles is inde pendent of the average composition of the system and as a rule increases as the length of blocks increases and the length of chains decreases. Features of generation of the ensemble of short chains and their ordering are revealed. It is shown that, during ordering of multiblock copolymers, the probabilistic properties (the sto chastic behavior) of the ensemble are disturbed. The self organization of statistical multiblock copolymers in a three dimensional model is investigated via rotation of rings in the torus of the rectangular cross section. The effects of various factors on self organization by energy and local ordering in 2D and 3D models are sim ilar; however, the efficiency of ordering in the three dimensional system is always lower because, in this case, arrangements with the maximum energy of attraction simultaneously to two neighboring chains, rather than to one, are implemented for the majority of chains.

show abstract

On the Ordering of Statistical Multiblock Copolymers

Litmanovich

Podbelskiy

Kudryavtsev

2010

Macro Theory & Simulations

View full text Add to dashboard Cite

An algorithm was developed to generate an ensemble of statistical multiblock AB copolymer chains via a polymer‐analogous reaction with acceleration. Ordering in the cylindrical ensemble of such chains is simulated via successive rotation of chains until an arrangement with the maximum energy of attraction between each two nearest chains is attained. The master relation of the ordering and the relations between AA, BB and AB contact fractions were found. Those relations permit to estimate the adequacy of modeling polymers of finite length. Influence of a chain structure, length, and interchain interactions on the ordering efficiency was studied. magnified image

show abstract

Phase Transitions in Melts of Alternating Rodlike Copolymers: Monte Carlo Simulation by the Wang‐Landau Approach

Cited by 3 publications

References 35 publications

Molecular Recognition in Solutions of Rod‐Like Copolymers with Two Different Sequences

Molecular Recognition in Solutions of Rod‐Like Copolymers with Two Different Sequences

Lateral ordering during self-organization of statistical multiblock copolymers

On the Ordering of Statistical Multiblock Copolymers

Contact Info

Product

Resources

About