{"id":5756,"date":"2025-07-03T14:55:05","date_gmt":"2025-07-03T05:55:05","guid":{"rendered":"https:\/\/aizoth.com\/?post_type=use_case&p=5756"},"modified":"2025-12-05T15:36:25","modified_gmt":"2025-12-05T06:36:25","slug":"contents-e007","status":"publish","type":"use_case","link":"https:\/\/aizoth.com\/en\/use_case\/contents-e007\/","title":{"rendered":"Balancing Density Control and CO\u2082 Adsorption Capacity in MOF Synthesis using Multi-Sigma\u00ae"},"content":{"rendered":"\n
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More details <\/strong><\/a><\/div>\n<\/div>\n\n\n\n
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This case study showcases how AIZOTH’s AI analytics platform, Multi-Sigma\u00ae<\/sup>, is utilized to optimize the synthesis of Metal-Organic Frameworks (MOFs), achieving both optimal density and high CO\u2082 adsorption capacity<\/strong><\/p>\n\n\n\n

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1. AI Chain Analysis<\/strong><\/h2>\n\n\n\n

The first-stage AI model predicts structural characteristics based on experimental conditions, while the second-stage AI model takes the structural characteristics, which is the output from the first stage, as input to predict functional characteristics.<\/p>\n\n\n

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2. Contribution Analysis<\/strong><\/h2>\n\n\n\n
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3. Multi-Objective Optimization for CO\u2082 Adsorption and Density Control<\/strong><\/h2>\n\n\n\n

Using Multi-Sigma\u00ae<\/sup><\/strong>‘s optimization functionality, a multi-objective approach was employed to maximize CO\u2082 adsorption while maintaining a target density of approximately 0.25 g\/cm\u00b3. As a result, the following synthesis conditions were identified, achieving a density of 0.25 \u00b1 0.005 g\/cm\u00b3 and a high CO\u2082 adsorption capacity of 32.2:
\u2022Synthesis temperature: 174\u00b0C
\u2022Synthesis time: 408 hours
\u2022Metal type: Indium
\u2022Oxidation state: +2<\/p>\n\n\n

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\"3.<\/figure>\n<\/div>\n\n\n

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(Note 1) The data used in this analysis is processed and edited based on the data published in the article below, under MIT license.
Data Source: GitHub (https:\/\/github.com\/aimat-lab\/MOF_Synthesis_Prediction)
(Note 2) The unit of density is (g\/cm\u00b3) and accessible pore volume is (cm\u00b3\/g)., and the CO\u2082 adsorption capacity is measured at a temperature of 298 K and a pressure of 16 bar.<\/p>\n\n\n\n

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