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Design and Optimization of Catalysts: Using Modeling to ... - Accelrys

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(VO) 2P 2O 7 is key <strong>to</strong> Maleic Anhydride<br />

Manufacture<br />

• Catalyst Activation is well unders<strong>to</strong>od:<br />

2 VOHPO 4 → (VO) 2P 2O 7 + H 2O<br />

• What happens during Catalyst Deactivation?<br />

– Known that Phosphorous is lost<br />

– Analytical measurements show changes in XPS, UV<br />

– But structure <strong>of</strong> deactivated catalyst, deactivation mechanism are not<br />

known<br />

• What is the structure <strong>of</strong> deactivated Vanadyl Pyrophosphate?

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