A local approach to the dynamics of star polymers

Guenza, Marina; Mormino, Michele; Perico, Angelo

doi:10.1021/ma00023a018

Cited by 24 publications

(24 citation statements)

References 11 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…[46] More recently, the ORZ model was used in determining the dynamics of proteins, [47] and its applications were reviewed in ref. [48] Here we stop to remark that ORZ studies such as [41][42][43]47,48] also include features from the original Zimm model, [49] namely, the hydrodynamic interactions. The price to be paid for this is that the ensuing system of Langevin equations displays quite complex dynamical matrices, which, as a rule, cannot be formulated analytically but have to be obtained in numerical form.…”

Section: Introductionmentioning

confidence: 98%

“…It is thus understandable that most recent works which study semiflexible branched polymers are connected to the discrete ORZ model. [35] Systems investigated in this way include star polymers, [41,42] dendrimers, [43][44][45] Cayley trees [43] and randomly branched polymers. [46] More recently, the ORZ model was used in determining the dynamics of proteins, [47] and its applications were reviewed in ref.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Branched Semiflexible Polymers: Theoretical and Simulation Aspects

Dolgushev

Berezovska

Blumen

2011

Macro Theory & Simulations

View full text Add to dashboard Cite

Recent approaches for taking stiffness effects into account when modeling multifunctional polymer structures are reported. The theoretical part is focused on arbitrary tree‐like polymers, modeled through extensions of the GGS scheme that allows the inclusion of local constraints. The theoretical findings are compared to the results of numerical simulations in which stiffness is included into the bond fluctuation model with the help of additional bending potentials. The procedure is illustrated by evaluating the static properties of semiflexible linear chains, stars, cospectral polymers and rings. The dynamical properties are exemplified by the mechanical relaxation of semiflexible polymers, including situations in which the local conditions at different sites are the same or different.magnified image

show abstract

Section: Introductionmentioning

confidence: 98%

Section: Introductionmentioning

confidence: 99%

Branched Semiflexible Polymers: Theoretical and Simulation Aspects

Dolgushev

Berezovska

Blumen

2011

Macro Theory & Simulations

View full text Add to dashboard Cite

show abstract

“…ðn þ 1Þ 2 (regular three-arm star) ð31Þ which is a special case of the theoretical expression obtained by Guenza et al 29 for regular f -arm star freely rotating chain, and the latter from…”

Section: Mean-square Radius Of Gyrationmentioning

confidence: 81%

A Monte Carlo Study of the Intrinsic Viscosity of Semiflexible Regular Three-Arm Star Polymers

Ida

Yoshizaki

2007

Polym J

View full text Add to dashboard Cite

ABSTRACT:A Monte Carlo (MC) study is made of the intrinsic viscosity ½ and also of the mean-square radius of gyration hS 2 i for regular three-arm star freely rotating chains of bond angles ¼ 109 , 165 , and 175 and with the Lennard-Jones 6-12 potentials between beads having the parameter values corresponding to the Â temperature, in the range of the total number n of bonds in the chain from 60 to 300. Three kinds of approximate values of ½ are calculated by the use of the Kirkwood-Riseman (KR) approximation, the Zimm rigid-body ensemble approximation which gives an upper bound ½ (U) to ½ , and by the Fixman method which gives a lower bound ½ (L) , the KR value of ½ being designated ½ (KR) . On the basis of the three kinds of MC values of ½ so obtained, the behavior of the ratio g of ½ for the star chain to that for the linear one, both having the same n, is examined as a function of the reduced contour length L as defined as the total contour length L of the corresponding Kratky-Porod (KP) wormlike chain divided by its stiffness parameter À1 , the values of L having been determined from an analysis of the present and previous MC data for hS 2 i on the basis of the KP chain. It is found that the KR value g (KR) of g as defined by ½ (KR) (star)= ½ (KR) (linear) lies between the values of an upper bound g (U) and a lower one g (L) , which are defined by The mean-square radius of gyration hS 2 i and/or the intrinsic viscosity ½ as measures of the average chain dimension of polymers in dilute solution depend largely on their molecular structure, e.g., linear or branched. It has therefore been of great interest to investigate the difference in hS 2 i or ½ between linear and branched polymer chains, and many theoretical and experimental studies 1-9 have already been made. However, almost all of those studies were of flexible polymers except for the theoretical one by Mansfield and Stockmayer, 4 the Monte Carlo (MC) one by Zimm, 5 and the experimental one by Goodson and Novak. 9 Mansfield and Stockmayer calculated hS 2 i of the Kratky-Porod (KP) wormlike 10,11 star chain (without excluded volume) and examined the behavior of its ratio g S to hS 2 i of the corresponding linear one having the same total length of the chain contour (molecular weight). Zimm evaluated ½ of ''wormlike'' four-and six-arm stars by the use of his rigidbody ensemble approximation. 12 Unfortunately, however, his calculation is rather limited, as mentioned by himself that it was a preliminary survey. Goodson and Novak synthesized three-arm star poly(n-hexyl isocyanate) by living titanium-catalized coordination polymerization, 9 and then investigated the behavior of hS 2 i, ½ , and g S as functions of molecular weight.In this paper, we make an extensive MC study of ½ for semiflexible regular three-arm star polymers in the Â state, which has not yet been made.The regular three-arm star chain model used in this study is essentially the same as that used in previous MC studies 13,14 of hS 2 i and the second virial coefficient of linear chains with in...

show abstract

“…[2,5] Alternatively, for stars and chains hR 2 g i can be obtained using explicit expressions from ref. [5,31] . A few remarks concerning the stiffness parameters used in simulations (namely B i ) and in the theoretical studies (namely t i [5] ) are now required.…”

Section: Simulation Methodsmentioning

confidence: 99%

Semiflexibility Highlights the Polymers' Topology: Monte Carlo Studies

Berezovska

Dolgushev

Blumen

2012

Macromolecular Symposia

View full text Add to dashboard Cite

Summary:In this article we analyze in how far semiflexible behavior enhances the differences in the properties of classes of polymers whose topological structure varies. We focus on three pairs of macromolecular classes: stars vs. chains, unknotted rings vs. rings with one knot (trefoils), and stars vs. unknotted rings. For this we determine the mean-square radii of gyration and the bond-bond correlation functions through Monte Carlo simulations which use the bond fluctuation model. We show that introducing semiflexibility magnifies the differences between experimentally measurable quantities and may even lead to qualitative changes. Our simulation results are supported by theoretical studies which make use of the maximum entropy principle.

show abstract

A local approach to the dynamics of star polymers

Cited by 24 publications

References 11 publications

Branched Semiflexible Polymers: Theoretical and Simulation Aspects

Branched Semiflexible Polymers: Theoretical and Simulation Aspects

A Monte Carlo Study of the Intrinsic Viscosity of Semiflexible Regular Three-Arm Star Polymers

Semiflexibility Highlights the Polymers' Topology: Monte Carlo Studies

Contact Info

Product

Resources

About