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Polymers

Polymers

The word polymer is derived from the Greek words “poly” which means “many” and “mer” which means “parts”. Polymers are long chains of molecules composed of repeating units of smaller molecules, known as monomers. They either occur naturally, such as DNA and proteins, or can be constructed synthetically, like plastics. They have varied structural characteristics, such as linear chains, branched chains, or complex networks, that contribute to the...

Polymers: Molecular Weight Distribution

Polymers: Molecular Weight Distribution

For any given polymer, the weight average molecular weight (Mw) is higher than, if not equal to, the number average molecular weight (Mn). The only situation in which the weight average molecular weight and the number average molecular weight are equal is when a polymer consists only of chains with equal molecular weight. However, this never happens in a synthetic polymer, since it is difficult to control the polymerization process up to a molecular level with accuracy to a hundred percent.

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Molecular-Level Insight into the Chlorofluorocarbons Adsorption by Defective Covalent Organic Polymers.

Jian Shen^1,2, Mohammad Wahiduzzaman³, Abhishek Kumar¹

¹Energy and Environment Directorate, Pacific Northwest National Laboratory, Richland, Washington, 99352, United States.

Chemphyschem : a European Journal of Chemical Physics and Physical Chemistry

|April 18, 2024

Summary

Researchers developed defect-engineered covalent organic polymers (COPs) for capturing dichlorodifluoromethane (R12). These COPs show high R12 sorption capacity and a unique pore-filling mechanism, offering a promising solution for toxic halocarbon recovery.

Keywords:

Adsorption, halocarbons Covalent organic polymers Molecular simulations R12 defect-engineered

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Area of Science:

Materials Science
Environmental Chemistry
Chemical Engineering

Background:

Halocarbons like dichlorodifluoromethane (R12) are industrially important but pose significant environmental risks due to high global warming and ozone depletion potentials.
Developing energy-efficient methods for capturing and recovering toxic halocarbons is crucial for environmental protection.

Purpose of the Study:

To synthesize and evaluate defect-engineered covalent organic polymers (COPs) for the efficient capture of dichlorodifluoromethane (R12).
To elucidate the adsorption mechanism of R12 on these COPs using computational simulations.

Main Methods:

Synthesis of defect-engineered covalent organic polymers (COPs).
Experimental measurement of R12 sorption capacities and adsorption isotherms.
Grand canonical Monte Carlo (GCMC) simulations on defective and non-defective COP models.

Main Results:

Defect-engineered COPs exhibited outstanding R12 sorption capacities, reaching approximately 226 wt%.
Adsorption isotherms were linear, indicating efficient R12 uptake.
Simulations revealed that porosity enhancement and altered long-range ordering in defective COPs facilitate R12 adsorption.
A hierarchical pore-filling mechanism involving adsorbate-adsorbent and adsorbate-adsorbate interactions was identified.

Conclusions:

Defect-engineered COPs demonstrate significant potential as effective sorbents for capturing toxic halocarbons like R12.
The unique pore structure and adsorption mechanism contribute to the high performance of these materials.
This study offers a novel approach for energy-efficient halocarbon recovery and environmental remediation.