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Pore Transport and Ion-Pair Transport01:17

Pore Transport and Ion-Pair Transport

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Pore transport and ion-pair formation are critical mechanisms for the absorption and distribution of drugs in the body.
Pore transport, also known as convective transport, is a process where small molecules like urea, water, and sugars rapidly cross cell membranes as though there were channels or pores in the membrane. Although direct microscopic evidence is limited  but the concept of pores or channels is widely accepted based on physiological evidence. Despite the lack of direct...
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The plasma membrane, a critical structure in cellular biology, houses an array of transporters, or carrier proteins, interspersed within its lipid bilayer. These proteins play a crucial role in solute transport through facilitated diffusion, a form of passive diffusion that uses transporters to move the molecules across the membrane.
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Many proteins form complexes to carry out their functions, making protein-protein interactions (PPIs) essential for an organism's survival. Most PPIs are stabilized by numerous weak noncovalent chemical forces. The physical shape of the interfaces determines the way two proteins interact. Many globular proteins have closely-matching shapes on their surfaces, which form a large number of weak bonds. Additionally, many PPIs occur between two helices or between a surface cleft and a...
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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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The polymerization process that involves carbanion as an intermediate is called anionic polymerization. It is also a type of addition or chain-growth polymerization. Anionic polymerization gets initiated by a strong nucleophile such as an organolithium or a Grignard reagent. The most commonly used initiator for anionic polymerization is butyl lithium. Monomers involved in anionic polymerization must possess a vinyl group bonded to one or two electron-withdrawing groups. For instance,...
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Updated: Jun 14, 2025

Solid-state Graft Copolymer Electrolytes for Lithium Battery Applications
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Ion Transport at Polymer-Argyrodite Interfaces.

Yuxi Chen1, Dongyue Liang1, Elizabeth M Y Lee2

  • 1Pritzker School of Molecular Engineering, University of Chicago, Chicago, Illinois 60637, United States.

ACS Applied Materials & Interfaces
|August 30, 2024
PubMed
Summary

This study reveals how lithium ions move in polymer-ceramic solid electrolytes. Lithium ions prefer the ceramic, with transport mainly parallel to interfaces, slowing near them.

Keywords:
force field developmention transportlithium-ion batterymolecular dynamicspolymer–ceramic interfacesolid-state electrolyte

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Area of Science:

  • Materials Science
  • Electrochemistry
  • Computational Chemistry

Background:

  • Solid-state electrolytes, especially polymer/ceramic composites, are key for advanced lithium-ion batteries.
  • Interfacial phenomena significantly influence ion transport in these composite electrolytes.
  • Understanding lithium-ion pathways at polymer-ceramic interfaces is crucial for optimizing battery performance.

Purpose of the Study:

  • To investigate lithium-ion transport mechanisms at well-defined polymer-argyrodite interfaces.
  • To quantify the impact of interfacial structure on ion conductivity.
  • To develop a force field for simulating polymer-argyrodite interfacial systems.

Main Methods:

  • Atomistic simulations using molecular dynamics and enhanced sampling techniques.
  • Development of a specific force field for polymer-argyrodite interfaces.
  • Analysis of free energy profiles and ion mobility in composite systems (PEO/Li6PS5Cl, HNBR/Li6PS5Cl, PVDF-HFP/Li6PS5Cl).

Main Results:

  • Lithium ions show a strong preference for the ceramic (argyrodite) phase over the polymer phase.
  • Interfacial effects on ion transport extend up to approximately 1.5 nm.
  • Lithium-ion transport near the interface is predominantly parallel to the interface and is significantly hindered.
  • Polymer-ion interaction strength modulates the energy barrier at the interface.

Conclusions:

  • The study elucidates the complex interplay between polymer structure, ceramic properties, and ion transport at interfaces.
  • Findings highlight the critical role of interfacial engineering in designing high-performance solid-state electrolytes.
  • Results provide fundamental insights for developing next-generation lithium-ion batteries with enhanced safety and conductivity.