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Updated: Jun 16, 2026

Computation of Atmospheric Concentrations of Molecular Clusters from ab initio Thermochemistry
Published on: April 8, 2020
Application of the cluster-cluster aggregation model to an open system.
Hailing Xiong1, Hang Li, Weiping Chen
1College of Computer and Information Science, Southwest University, Chongqing 400715, China. xionghl@gmail.com
This study introduces an extended Cluster-Cluster Aggregation (CCA) model for simulating colloid aggregation in open systems. The model accounts for dynamic changes, showing solvent evaporation alters aggregation mechanisms.
Area of Science:
- Physical Chemistry
- Materials Science
- Chemical Engineering
Background:
- Colloid aggregation is influenced by environmental changes.
- Classic Cluster-Cluster Aggregation (CCA) models lack dynamic adaptability for open systems.
Purpose of the Study:
- To develop an extended CCA model for simulating colloid aggregation in dynamic open systems.
- To incorporate time-dependent parameters like diffusion coefficient and sticking probability.
Main Methods:
- Developed a conceptual model extending the classic CCA model.
- Introduced time-dependent diffusion coefficient D(1)(t) and sticking probability P(1)(t).
- Simulated aggregation by defining D(1) and P(1) as functions of solvent evaporation rate and time, with P(1) held constant.
Main Results:
- The extended model successfully simulates colloid aggregation in open systems.
- Solvent evaporation was shown to modify aggregation mechanisms.
- The degree of alteration depended on the solvent evaporation rate.
Conclusions:
- The extended CCA model is a valuable tool for studying colloid aggregation in open systems.
- Dynamic simulation capabilities enhance understanding of aggregation processes under changing conditions.
- This approach provides insights into how environmental factors influence colloid behavior.
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