### Abstract

We study the configurational properties of single polymers in a theta solvent by Monte Carlo simulation of the bond fluctuation model. The intramolecular structure factor at the theta point is found to be distinctively different from that of the ideal chain. The structure factor shows a hump around q∼5/ Rg and a dip around q∼10/ Rg in the Kratky plot with Rg being the radius of gyration. This feature is apparently similar to that in a melt. The theoretical expression by the simple perturbation expansion to the first order in terms of the Mayer function can be fitted to the obtained structure factor quite well, but the second virial coefficient cannot be set to zero.

Original language | English |
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Article number | 051804 |

Journal | Physical Review E - Statistical, Nonlinear, and Soft Matter Physics |

Volume | 80 |

Issue number | 5 |

DOIs | |

Publication status | Published - Nov 30 2009 |

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### All Science Journal Classification (ASJC) codes

- Statistical and Nonlinear Physics
- Statistics and Probability
- Condensed Matter Physics

### Cite this

*Physical Review E - Statistical, Nonlinear, and Soft Matter Physics*,

*80*(5), [051804]. https://doi.org/10.1103/PhysRevE.80.051804

**Nonideal behavior of the intramolecular structure factor of dilute polymers in a theta solvent.** / Shimomura, Kenji; Nakanishi, Hiizu; Mitarai, Namiko.

Research output: Contribution to journal › Article

*Physical Review E - Statistical, Nonlinear, and Soft Matter Physics*, vol. 80, no. 5, 051804. https://doi.org/10.1103/PhysRevE.80.051804

}

TY - JOUR

T1 - Nonideal behavior of the intramolecular structure factor of dilute polymers in a theta solvent

AU - Shimomura, Kenji

AU - Nakanishi, Hiizu

AU - Mitarai, Namiko

PY - 2009/11/30

Y1 - 2009/11/30

N2 - We study the configurational properties of single polymers in a theta solvent by Monte Carlo simulation of the bond fluctuation model. The intramolecular structure factor at the theta point is found to be distinctively different from that of the ideal chain. The structure factor shows a hump around q∼5/ Rg and a dip around q∼10/ Rg in the Kratky plot with Rg being the radius of gyration. This feature is apparently similar to that in a melt. The theoretical expression by the simple perturbation expansion to the first order in terms of the Mayer function can be fitted to the obtained structure factor quite well, but the second virial coefficient cannot be set to zero.

AB - We study the configurational properties of single polymers in a theta solvent by Monte Carlo simulation of the bond fluctuation model. The intramolecular structure factor at the theta point is found to be distinctively different from that of the ideal chain. The structure factor shows a hump around q∼5/ Rg and a dip around q∼10/ Rg in the Kratky plot with Rg being the radius of gyration. This feature is apparently similar to that in a melt. The theoretical expression by the simple perturbation expansion to the first order in terms of the Mayer function can be fitted to the obtained structure factor quite well, but the second virial coefficient cannot be set to zero.

UR - http://www.scopus.com/inward/record.url?scp=71849083021&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=71849083021&partnerID=8YFLogxK

U2 - 10.1103/PhysRevE.80.051804

DO - 10.1103/PhysRevE.80.051804

M3 - Article

C2 - 20364998

AN - SCOPUS:71849083021

VL - 80

JO - Physical Review E

JF - Physical Review E

SN - 2470-0045

IS - 5

M1 - 051804

ER -