Lattice Cluster Theory of Multicomponent Polymer Systems: Chain Semiflexibility and Specific Interactions

Foreman, K. W.; Freed, Karl F.

doi:10.1002/9780470141625.ch5

Cited by 68 publications

(98 citation statements)

References 31 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…Freed and coworkers [12,13,14,15,16,17,18,19,20] developed the lattice-cluster theory (LCT) to take the molecular architecture into account. Within the LCT the Helmholtz free energy appears as a double power series in 1 z and  B k T , where z is the lattice coordination number and  B k T is the reduced interaction energy.…”

Section: Lattice Cluster Theorymentioning

confidence: 99%

See 1 more Smart Citation

Tuneable extraction systems based on hyperbranched polymers

Goetsch

Zimmermann

Enders

et al. 2016

Chemical Engineering and Processing: Process Intensification

View full text Add to dashboard Cite

Section: Lattice Cluster Theorymentioning

confidence: 99%

“…FH cannot distinguish between linear, star, branched or comb polymer architecture. The lattice-cluster theory (LCT) developed by Freed and co-workers [12,13,14,15,16,17,18,19,20] overcomes this problem. The LCT can include the influence of molecular architecture on the Helmholtz free energy.…”

Section: Introductionmentioning

confidence: 98%

Tuneable extraction systems based on hyperbranched polymers

Goetsch

Zimmermann

Enders

et al. 2016

Chemical Engineering and Processing: Process Intensification

View full text Add to dashboard Cite

“…Several blends exhibit a lower critical point instead of an upper critical point, indicating that the demixing is driven by entropy rather than enthalpy. The critical temperature T c of demixing often does not scale linearly with the chain length N, as one would expect from In view of these complications, establishing an exhaustive theory of the χ -parameter remains a formidable task [37,[49][50][51][52][53][54]. Even the reverse problem of designing simplified particle-based polymer models with a well-defined χ -parameters turns out to be highly non-trivial [55].…”

Section: Connection To Reality: the Flory-huggins Parametermentioning

confidence: 99%

“…Freed and coworkers [36,37,40,60] have proposed a generalized Flory-Huggins theory, the 'lattice cluster theory', which provides a consistent microscopic theory for macroscopic thermodynamic behavior. In a certain limit (high pressure, high molecular weight, fully flexible chain), this theory reproduces a Flory-Huggins type free energy with an effective χ -parameter [49] …”

Section: Connection To Reality: the Flory-huggins Parametermentioning

confidence: 99%

Theory and Simulation of Multiphase Polymer Systems

Schmid

2011

Handbook of Multiphase Polymer Systems

View full text Add to dashboard Cite

The theory of multiphase polymer systems has a venerable tradition. The 'classical' theory of polymer demixing, the Flory-Huggins theory, was developed in the 1940s [1,2]. It is still the starting point for most current approaches -be they improved theories for polymer (im)miscibility that take into account the microscopic structure of blends more accurately, or sophisticated field theories that allow to study inhomogeneous multicomponent systems of polymers with arbitrary architectures in arbitrary geometries. In contrast, simulations of multiphase polymer systems are quite young. They are still limited by the fact that one must simulate a large number of large molecules in order to obtain meaningful results. Both powerful computers and smart modeling and simulation approaches are necessary to overcome this problem.In the limited space of this chapter, we can only give a taste of the state-of-the-art in both areas, theory and simulation. Since the theory has reached a fairly mature stage by now, many aspects of it are covered in textbooks on polymer physics [3][4][5][6][7][8][9]. The information on the state-of-the art of simulations is much more scattered. This is why we have put some effort into putting together a representative list of references in this area -which is of course still far from complete.The chapter is organized as follows. In Section II, we briefly introduce some basic concepts of polymer theory. The purpose of this part is to make the chapter accessible to readers who are not very familiar with polymer physics; it can safely be skipped by the others. Section III is devoted to the theory of multiphase polymer systems. We recapitulate the Flory-Huggins theory and introduce in particular the concept of the Flory interaction parameter (the χ parameter), which is a central ingredient in most theoretical descriptions of multicomponent polymer systems. Then we focus on one of the most successful mean-field theories for inhomogeneous (co)polymer blends, the self-consistent field theory. We sketch the main idea, discuss various Handbook of Multiphase Polymer Systems, First Edition. Edited by Abderrahim Boudenne, Laurent Ibos, Yves Candau, and Sabu Thomas.

show abstract

“…In addition, nearest neighbor groups on chains of species i and j interact with weak van der Waals energy ij . Consistent with the goal of elucidating the general physics, the derivation below is specialized to the simplest "pedestrian" limit specified by the following assumptions ͑that may be lifted as desired 19 ͒: ͑i͒ The system is incompressible. ͑ii͒ The chains are completely flexible.…”

mentioning

confidence: 99%

Extension of lattice cluster theory to strongly interacting, self-assembling polymeric systems

Freed

2009

The Journal of Chemical Physics

Self Cite

View full text Add to dashboard Cite

A new extension of the lattice cluster theory is developed to describe the influence of monomer structure and local correlations on the free energy of strongly interacting and self-assembling polymer systems. This extension combines a systematic high dimension (1/d) and high temperature expansion (that is appropriate for weakly interacting systems) with a direct treatment of strong interactions. The general theory is illustrated for a binary polymer blend whose two components contain “sticky” donor and acceptor groups, respectively. The free energy is determined as an explicit function of the donor-acceptor contact probabilities that depend, in turn, on the local structure and both the strong and weak interactions.

show abstract

Lattice Cluster Theory of Multicomponent Polymer Systems: Chain Semiflexibility and Specific Interactions

Cited by 68 publications

References 31 publications

Tuneable extraction systems based on hyperbranched polymers

Tuneable extraction systems based on hyperbranched polymers

Theory and Simulation of Multiphase Polymer Systems

Extension of lattice cluster theory to strongly interacting, self-assembling polymeric systems

Contact Info

Product

Resources

About