Randomly branching $\theta$-polymers in two and three dimensions: Average properties and distribution functions

TL;DR

This study uses Monte Carlo simulations to comprehensively analyze the size, structure, and distribution functions of randomly branching $ heta$-polymers in two and three dimensions, comparing results with theoretical models and other solvent conditions.

Contribution

It provides a detailed characterization of $ heta$-polymers' properties and distribution functions, extending previous work with new simulation data and theoretical comparisons.

Findings

Distribution functions follow Redner-des Cloizeaux form

Scaling exponents relate via Fisher-Pincus relationships

$ heta$-polymers differ from ideal and good-solvent cases

Abstract

Motivated by renewed interest in the physics of branched polymers, we present here a complete characterization of the connectivity and spatial properties of $2$ and $3$-dimensional single-chain conformations of randomly branching polymers in $\theta$-solvent conditions obtained by Monte Carlo computer simulations. The first part of the work focuses on polymer average properties, like the average polymer spatial size as a function of the total tree mass and the typical length of the average path length on the polymer backbone. In the second part, we move beyond average chain behavior and we discuss the complete distribution functions for tree paths and tree spatial distances, which are shown to obey the classical Redner-des Cloizeaux functional form. Our results were rationalized first by the systematic comparison to a Flory theory for branching polymers and, next, by generalized Fisher-Pincus relationships between scaling exponents of distribution functions. For completeness, the properties of $\theta$-polymers were compared to their ideal (i.e.), no volume interactions) as well as good-solvent (i.e.), above the $\theta$-point) counterparts. The results presented here brings to conclusion the recent work performed in our group [A. Rosa and R. Everaers, J. Phys. A: Math. Theor. 49, 345001 (2016), J. Chem. Phys. 145, 164906 (2016), Phys. Rev. E 95, 012117 (2017)] in the context of the scaling properties of branching polymers.