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Updated: Jun 16, 2026

Determining Surface Areas and Pore Volumes of Metal-Organic Frameworks

Determining Surface Areas and Pore Volumes of Metal-Organic Frameworks

Published on: March 8, 2024

A framework for predicting surface areas in microporous coordination polymers.

Jennifer K Schnobrich¹, Kyoungmoo Koh, Kush N Sura

¹Department of Chemistry and Macromolecular Science and Engineering Program, The University of Michigan, 930 North University Avenue, Ann Arbor, Michigan 48109-1055, USA.

Langmuir : the ACS Journal of Surfaces and Colloids

|February 11, 2010

Summary

This summary is machine-generated.

A new linker to metal cluster (LiMe) ratio predicts maximum surface area in microporous coordination polymers. This tool aids in material design and experimental verification by analyzing building block components.

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Preparation of Highly Porous Coordination Polymer Coatings on Macroporous Polymer Monoliths for Enhanced Enrichment of Phosphopeptides

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Published on: July 14, 2015

Area of Science:

Materials Science
Chemistry
Nanotechnology

Background:

Microporous coordination polymers (MCPs) are crucial for gas storage and catalysis.
Accurate prediction of their surface area is essential for optimizing performance.
Current methods can be data-intensive or lack predictive power.

Purpose of the Study:

Introduce the linker to metal cluster (LiMe) ratio as a predictive tool for MCP surface area.
Correlate the LiMe ratio with geometric accessible surface area computations.
Utilize the LiMe ratio to analyze factors influencing MCP surface area.

Main Methods:

Developed the linker to metal cluster (LiMe) ratio based on molecular weights of building blocks.
Calibrated the LiMe ratio using geometric accessible surface area calculations.
Applied the LiMe ratio to analyze prototypical MCPs like MOF-5 and HKUST-1.

Main Results:

The LiMe ratio effectively predicts maximum attainable surface area for various linker and metal cluster combinations.
Analysis revealed the impact of linker size, geometry, coordination number, and interpenetration on surface area.
Deviations between experimental and predicted surface areas indicate potential material defects.

Conclusions:

The LiMe ratio offers a rapid and data-efficient method for surface area analysis in MCPs.
It serves as a valuable tool for experimental verification of material properties.
The LiMe ratio can guide the rational design of novel microporous coordination polymers with tailored surface areas.