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Related Concept Videos

Cationic Chain-Growth Polymerization: Mechanism00:57

Cationic Chain-Growth Polymerization: Mechanism

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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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Anionic Chain-Growth Polymerization: Mechanism01:04

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The mechanism for anionic chain-growth polymerization involves initiation, propagation, and termination steps. In the initiation step, a nucleophilic anion, such as butyl lithium, initiates the polymerization process by attacking the π bond of the vinylic monomer. As a result, a carbanion, stabilized by the electron‐withdrawing group, is generated. The resulting carbanion acts as a Michael donor in the propagation step and attacks the second vinylic monomer, which acts as a Michael...
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Step growth polymerization involves bi or multifunctional monomers. Bifunctional monomers react to form linear step growth polymers, whereas multifunctional monomers react to form non-linear or branched polymers.
As the step-growth polymerization involves step-wise condensation of monomers, the molecular weight also builds up eventually. Consequently, high molecular weight polymers are obtained at the late stages of the polymerization, where 99% of monomers have been consumed.
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Unit Cells01:18

Unit Cells

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A crystal's internal structure is an orderly array of atoms, ions, or molecules, and the details of this array significantly influence the solid's properties. In a crystal, periodically repeating 'structural motifs' - which could be atoms, molecules, or groups thereof - create a 'space lattice.' This is essentially a three-dimensional, infinite array of points, each surrounded by its neighbors in an identical way, forming the basic structure of the crystal.A 'unit cell' is a theoretical...
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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.
Many natural and synthetic polymers are produced by...
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Characteristics and Nomenclature of Copolymers01:24

Characteristics and Nomenclature of Copolymers

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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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Synthesis of Monodisperse Cylindrical Nanoparticles via Crystallization-driven Self-assembly of Biodegradable Block Copolymers
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Accelerating self-consistent field theory of block polymers in a variable unit cell.

Akash Arora1, David C Morse1, Frank S Bates1

  • 1Department of Chemical Engineering and Materials Science, University of Minnesota-Twin Cities, Minneapolis, Minnesota 55455, USA.

The Journal of Chemical Physics
|July 3, 2017
PubMed
Summary
This summary is machine-generated.

We enhanced self-consistent field theory (SCFT) calculations for block polymers by improving an Anderson-mixing iteration scheme. This boosts computational efficiency for studying polymer phase behavior.

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Area of Science:

  • Polymer Science
  • Computational Chemistry
  • Materials Science

Background:

  • Self-consistent field theory (SCFT) is a key method for analyzing block polymer equilibrium phase behavior.
  • Existing SCFT computational schemes can be inefficient for complex systems.

Purpose of the Study:

  • To enhance the computational efficiency of SCFT for block polymers.
  • To develop an improved Anderson-mixing iteration scheme for solving nonlinear SCFT equations.

Main Methods:

  • Extended an existing Anderson-mixing iteration scheme.
  • Simultaneously optimized unit-cell dimensions within the SCFT framework.
  • Applied the improved scheme to solve nonlinear SCFT equations.

Main Results:

  • Achieved substantial increases in computational efficiency compared to previous methods.
  • Successfully integrated unit-cell dimension optimization with SCFT equation solving.
  • Demonstrated a more efficient approach for block polymer phase behavior analysis.

Conclusions:

  • The enhanced Anderson-mixing scheme offers a significant computational advantage for SCFT.
  • This improvement facilitates more extensive studies of block polymer equilibrium phases.
  • The optimized scheme is valuable for advancing polymer science research.