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Step-Growth Polymerization: Overview01:03

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Step-growth or condensation polymerization is a stepwise reaction of bi or multifunctional monomers to form long-chain polymers. As all the monomers are reactive, most of the monomers are consumed at the early stages of the reaction to form small chains of reactive oligomers, which then combine to form long polymer chains in the late stages. Hence, the reaction has to proceed for a long time to achieve high molecular weight polymers.
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The cationic polymerization mechanism consists of three steps: initiation, propagation, and termination. In the initiation step of the polymerization process, the π bond of a monomer gets protonated by the Lewis acid catalyst, which is formed from boron trifluoride and water. The protonation of the π bond generates a carbocation stabilized by the electron‐donating group. In the propagation step, the π bond of the second monomer acts as a nucleophile and attacks the...
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The conversion of alkenes to macromolecules called polymers is a reaction of high commercial importance. The structure of the polymer is defined by a repeating unit, while the terminal groups are considered insignificant. The average degree of polymerization represents the number of repeating units in the polymer molecule and is denoted by the subscript n.
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Characteristics and Nomenclature of Copolymers01:24

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Copolymers are the products obtained from the polymerization of multiple monomer species. So, in a polymer chain itself, there can be multiple repeating units that come from different monomers. The process of synthesizing a polymer from different monomer species is called copolymerization. When two monomers are involved, the polymer is known as a bipolymer. Polymers with three and four monomers are termed terpolymers and quaterpolymers, respectively. Figure 1 depicts the copolymerization of...
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The radical chain-growth polymerization mechanism consists of three steps: initiation, propagation, and termination of polymerization. The polymerization initiates when a free radical generated from the radical initiator adds to the unsaturated bond in the monomer. The unpaired electron of the free radical and one π electron in the unsaturated bond creates a σ bond between the free radical and the monomer. As a result, the other π electron in the unsaturated bond converts this species into...
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Ziegler–Natta polymerization is another form of addition or chain‐growth polymerization used for synthesizing linear polymers over branched polymers. The catalyst used for polymerization is the Ziegler–Natta catalyst, named after Karl Ziegler and Giulio Natta, who developed it in 1953. This catalyst is an organometallic complex of titanium tetrachloride and triethyl aluminum, with the active form of the catalyst being an alkyl titanium compound. Using the Ziegler–Natta...
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Controlling the Size, Shape and Stability of Supramolecular Polymers in Water
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Simulation Study of Process-Controlled Supramolecular Block Copolymer Phase Separation with Reversible Reaction

Jian-Bo Wu1,2, Hong Liu3, Zhong-Yuan Lu1

  • 1State Key Laboratory of Supramolecular Structure and Materials, Institute of Theoretical Chemistry, Jilin University, Changchun 130023, China.

Polymers
|March 4, 2020
PubMed
Summary

We developed a new dissipative particle dynamics method to simulate supramolecular polymers. This approach accurately models reversible bonds, revealing complex self-assembly behaviors in diblock copolymers for advanced materials.

Keywords:
dissipative particle dynamicsreversible reactionsupramolecular diblock copolymer

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Area of Science:

  • Materials Science and Engineering
  • Polymer Chemistry
  • Computational Chemistry

Background:

  • Supramolecular diblock copolymers utilize reversible bonds, enabling unique microphase separation and stimuli-responsive material applications.
  • Accurate simulation of these reversible bonds is crucial for understanding their behavior but presents a challenge in existing models.

Purpose of the Study:

  • To introduce a novel dissipative particle dynamics (DPD) method for simulating supramolecular reactions with reversible bonds.
  • To accurately capture the strength, saturation, and dynamic properties of reversible bonds in DPD simulations.
  • To investigate the thermodynamic and dynamic properties of supramolecular diblock copolymer melts under equilibrium and non-equilibrium conditions.

Main Methods:

  • Development of a new DPD method incorporating a reversible reaction mechanism.
  • Simulation of supramolecular diblock copolymer melts using the enhanced DPD method.
  • Analysis of phase behaviors and dynamic properties in both equilibrium and non-equilibrium states.

Main Results:

  • The novel DPD method successfully reproduces the strength, saturation, and dynamic characteristics of reversible bonds.
  • Simulations accurately characterized the phase behaviors of supramolecular diblock copolymer melts.
  • The method effectively described dynamic processes, particularly in non-equilibrium scenarios.

Conclusions:

  • The proposed DPD method provides a robust tool for simulating supramolecular block copolymers.
  • It enables a deeper understanding of self-assembly mechanisms and material properties.
  • This approach is particularly valuable for studying non-equilibrium dynamics in responsive materials.