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Marin, Christopher [NETL Site Support Contractor, National Energy Technology Laboratory]

Publications and source records attributed to Marin, Christopher [NETL Site Support Contractor, National Energy Technology Laboratory].

Aqueous-Based Granulation Method Towards Syngas Production

An aqueous-based granulation method is developed to combat the structural changes associated with binder-based granulation techniques. Microwave-assisted methane reforming studies showed an improved catalyst efficiency for these aqueous-based granules compared to the powder catalysts. This granulation method has been extended to other practical applications (chemical looping gasification and air separations).

aqueous-based granulation↗

Theoretical study of CO2 capture mechanisms of SrO and Sr(OH)2.nH2O (n=0,1,8)

This presentation encapsulated the use of density functional theory (DFT) to investigate the mechanism of CO2 conversion on various crystal surfaces, including SrO, Sr(OH)2, Sr(OH)2·H2O, and Sr(OH)2·8H2O. The study provides unique insights into the fundamental mechanism for CO2 capture using SrO and its hydrated forms.

catalyst performance↗

Theoretical study of CO2 capture mechanisms of SrO and Sr(OH)2.nH2O (n=0,1,8)

<span style="font-family: Roboto; font-size: 11pt;">In this presentation, the adsorption reactions of CO</span><sub style="font-family: Roboto; font-size: 11pt;">2</sub><span style="font-family: Roboto; font-size: 11pt;"> on SrO surfaces and its hydrated counterparts are examined. The predicted energies of CO</span><sub style="font-family: Roboto; font-size: 11pt;">2</sub><span style="font-family: Roboto; font-size: 11pt;"> adsorption on follows the order of increasing H</span><sub style="font-family: Roboto; font-size: 11pt;">2</sub><span style="font-family: Roboto; font-size: 11pt;">O content. The carbonation on the monohydrate surface is barrierless, whereas the CO</span><sub style="font-family: Roboto; font-size: 11pt;">2</sub><span style="font-family: Roboto; font-size: 11pt;"> reaction on the Sr(OH)</span><sub style="font-family: Roboto; font-size: 11pt;">2</sub><span style="font-family: Roboto; font-size: 11pt;"> and the octahydrate surfaces follows pathways with finite activation barriers. The thermodynamics of bulk reaction is also addressed.</span>

computational science and engineering↗