### Abstract

Monte Carlo simulations for model polymer chains composed of hard spheres with square-well attractions were performed to find a precise
relation between the parameters of a crossover theory and the parameters
of the square-well chain. For sufficiently large bond lengths, there
was a direct relation between the effective parameters of the crossover
theory and the second- and third-virial coefficients of the square-well
atoms. For the systems under study, the theta temperature is close
to the Boyle temperature of the disconnected monomers, is mainly
dependent on the details of the monomer-monomer interactions, and
is only weakly dependent on the bond length of the chain. Above the
theta temperature, the crossover theory is in good agreement with
the simulation data. Near the theta point, the main effect of tricritical
corrections is a shift in the critical amplitudes. Other effects
are extremely small. The simulation data are consistent with the
tricritical crossover theory. However, more precise data are needed
to quantitatively test the tricritical crossover theory. (C) 1999
American Institute of Physics. [S0021-9606(99)50536-9].

Original language | English |
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Pages (from-to) | 5580-5592 |

Number of pages | 13 |

Journal | Journal of Chemical Physics |

Volume | 111 |

Issue number | 12 |

DOIs | |

Publication status | Published - 22 Sep 1999 |

### Keywords

- conformational space renormalization
- liquid-liquid equilibria
- self-avoiding walks
- thermodynamic perturbation-theory
- monte- carlo simulation
- 2nd virial-coefficient
- domb-joyce model
- theta-point
- excluded-volume
- 3 dimensions

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## Cite this

Lue, L., & Kiselev, S. B. (1999). Crossover behavior in dilute polymer solutions: Square-well chains.

*Journal of Chemical Physics*,*111*(12), 5580-5592. https://doi.org/10.1063/1.479816