Ejection dynamics of semiflexible polymers out of a nanochannel

Conformation and dynamical evolution of block copolymers in shear flow is an important topic in polymer physics that underscores the forming process of various materials. We explored deformation and dynamics of copolymers composed of rigid or flexible blocks in simple shear flow by employing multiparticle collision dynamics integrated with molecular dynamics simulations. We found that compared with the proportion between rigid and flexible blocks, the type of the central blocks plays more important role in the conformational and dynamical evolution of copolymers. That is, if the central block is a coil, the copolymer chain takes end-over-end tumbling motion, while if the central block is a rod, the copolymer chain undergoes U-shape or S-shape deformation at mid shear rate. As the shear strength increases, all copolymers behave similar to flexible polymers at high shear rate. This can be attributed to the fact that shear flow is strong enough to overcome the buckling force of the rigid blocks. These results provide a deeper understanding of the roles played by rod and coil blocks in copolymers for phase interface during forming processing.

show abstract

Conformational and Dynamical Evolution of Block Copolymers in Shear Flow

Kong

Chen

Cui

et al. 2020

Chin J Polym Sci

View full text Add to dashboard Cite

show abstract

Influence of the rigidity of the backbone and arms on the dynamical and conformational properties of the comb polymer in shear flow

Huang,

Wen,

Likos

et al. 2024

The Journal of Chemical Physics

View full text Add to dashboard Cite

The dynamical and conformational properties of the comb polymer with various rigidities of the backbone and arms in steady shear flow are studied by using a hybrid mesoscale simulation approach that combines multiparticle collision dynamics with standard molecular dynamics. First, during the process of the comb polymer undergoing periodic tumbling motion, we find that the rigidity of the arms always promotes the tumbling motion of the comb polymer, but the rigidity of the backbone shifts from hindering to promoting it with increasing the rigidity of the arms. In addition, the comb polymer transitions from vorticity tumbling to gradient tumbling with the increase in shear rate. Second, the range of variation of the end-to-end distance of the backbone and the average end-to-end distance of the arms increases with the increase in the rigidity of the arms and backbone, respectively, and the range of both changes grows with the increase in shear rate. Furthermore, as the rigidity increases, the moldability of the comb polymer decreases and the orientation angle of the comb polymer increases.

show abstract

Monte Carlo simulation on the diffusion of polymer in narrow periodical channels

Chen

Zhou

Wang

2017

Int. J. Mod. Phys. B

View full text Add to dashboard Cite

Diffusion of polymer in narrow periodical channels, patterned alternately into part [Formula: see text] and part [Formula: see text] with the same length [Formula: see text], was studied by using Monte Carlo simulation. The interaction between polymer and channel [Formula: see text] is purely repulsive, while that between polymer and channel [Formula: see text] is attractive. Results show that the diffusion of polymer is remarkably affected by the periodicity of channel, and the diffusion constant [Formula: see text] changes periodically with the polymer length [Formula: see text]. At the peaks of [Formula: see text], the projected length of polymer along the channel is an even multiple of [Formula: see text], and the diffusion of polymer in periodical channel is nearly the same as that of polymer in homogeneous channel. While at the valleys of [Formula: see text], the projected length of polymer is an odd multiple of [Formula: see text], and polymer is in a trapped state for a long time and it rapidly jumps to other trapped regions during the diffusion process. The physical mechanisms are discussed from the view of polymer–channel interaction energy landscape.

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

customersupport@researchsolutions.com

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

This site is protected by reCAPTCHA and the Google Privacy Policy and Terms of Service apply.

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Ejection dynamics of semiflexible polymers out of a nanochannel

Cited by 3 publications

References 72 publications

Conformational and Dynamical Evolution of Block Copolymers in Shear Flow

Conformational and Dynamical Evolution of Block Copolymers in Shear Flow

Influence of the rigidity of the backbone and arms on the dynamical and conformational properties of the comb polymer in shear flow

Monte Carlo simulation on the diffusion of polymer in narrow periodical channels

Contact Info

Product

Resources

About