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Updated: Jun 14, 2025

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Gas Hydrate Dynamics with Parameter-Free Clathrate Phase Description: Validation for Hydrate Formation and
Shubhangi Sharma1, Harshal J Dongre1, Amiya K Jana1
1Energy and Process Engineering Laboratory, Department of Chemical Engineering, Indian Institute of Technology Kharagpur, Kharagpur 721 302, India.
A new parameter-free model accurately predicts clathrate hydrate formation and dissociation dynamics. This advance in clathrate phase estimation accounts for complex geological conditions and porous media, improving experimental predictions.
Area of Science:
- Clathrate Hydrate Science
- Thermodynamics
- Geological Engineering
Background:
- Accurate clathrate phase estimation is a long-standing challenge in clathrate hydrate science.
- Existing models often require numerous parameters, limiting their predictive power under diverse conditions.
Purpose of the Study:
- To introduce and validate a novel parameter-free hydrate phase statistical equilibrium model.
- To formulate clathrate formation and dissociation dynamics and predict experimental observations in various geological settings.
Main Methods:
- Application of a recently developed parameter-free statistical equilibrium model.
- Incorporation of practical factors: nanometer-sized pores, irregular particle shapes, surface renewal, and nth-order phase transformation.
- Genetic algorithm-based optimization for parameter identification.
Main Results:
- The model successfully predicts clathrate formation and decomposition data for pure and saltwater systems, with and without porous media.
- Demonstrated promising performance with lower absolute average relative deviation compared to existing hydrate models.
- Validated the model's applicability across diverse geological conditions.
Conclusions:
- The parameter-free thermokinetic model offers a significant advancement in clathrate phase estimation.
- The model's ability to account for complex factors enhances its predictive accuracy for clathrate behavior.
- This approach provides a more robust tool for understanding and predicting clathrate hydrate dynamics in geological environments.
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