Polymer Field Theory for Multimonomer Incompressible Models: Symmetric Formulation and ABC Systems

IF 5.1 1区 化学 Q1 POLYMER SCIENCE Macromolecules Pub Date : 2025-01-03 DOI:10.1021/acs.macromol.4c02636
David Morse, Daeseong Yong, Kexin Chen
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Abstract

We present a symmetric formulation of polymer field theory for incompressible systems containing any number M of monomer types, in which all monomers are treated on an equal footing. This is proposed as an alternative to the multispecies exchange formulation, which imposes incompressibility by eliminating one monomer type. The symmetric formulation is shown to correspond to the incompressible limit of a corresponding compressible model, and to reduce in the case M = 2 to the usual formulation of field theory for incompressible AB systems. An analysis of ABC systems (M = 3) identifies ranges of interaction parameter values in which a fully fluctuating field theory requires one, two or three imaginary-valued fields. ABC systems with parameters that satisfy the Hildebrand solubility parameter approximation are shown to require only one imaginary pressure-like field, much like AB systems. Generalization of the partial saddle-point approximation to M > 2 is discussed.

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多单体不可压缩模型的聚合物场理论:对称公式和ABC系统
我们提出了包含任意M个单体类型的不可压缩系统的聚合物场理论的对称公式,其中所有单体都被平等对待。这被提议作为多物种交换配方的替代方案,该配方通过消除一种单体类型来施加不可压缩性。该对称公式对应于相应可压缩模型的不可压缩极限,并在M = 2的情况下简化为不可压缩AB系统的通常场论公式。对ABC系统(M = 3)的分析确定了在一个完全波动场理论需要一个、两个或三个虚值场的相互作用参数值范围。具有满足希尔德布兰德溶解度参数近似的参数的ABC系统被证明只需要一个虚的类压力场,与AB系统非常相似。M >的部分鞍点逼近的推广讨论了2。
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来源期刊
Macromolecules
Macromolecules 工程技术-高分子科学
CiteScore
9.30
自引率
16.40%
发文量
942
审稿时长
2 months
期刊介绍: Macromolecules publishes original, fundamental, and impactful research on all aspects of polymer science. Topics of interest include synthesis (e.g., controlled polymerizations, polymerization catalysis, post polymerization modification, new monomer structures and polymer architectures, and polymerization mechanisms/kinetics analysis); phase behavior, thermodynamics, dynamic, and ordering/disordering phenomena (e.g., self-assembly, gelation, crystallization, solution/melt/solid-state characteristics); structure and properties (e.g., mechanical and rheological properties, surface/interfacial characteristics, electronic and transport properties); new state of the art characterization (e.g., spectroscopy, scattering, microscopy, rheology), simulation (e.g., Monte Carlo, molecular dynamics, multi-scale/coarse-grained modeling), and theoretical methods. Renewable/sustainable polymers, polymer networks, responsive polymers, electro-, magneto- and opto-active macromolecules, inorganic polymers, charge-transporting polymers (ion-containing, semiconducting, and conducting), nanostructured polymers, and polymer composites are also of interest. Typical papers published in Macromolecules showcase important and innovative concepts, experimental methods/observations, and theoretical/computational approaches that demonstrate a fundamental advance in the understanding of polymers.
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