The results achieved so far for each objective of the project are described below:
1. Development and production of improved catalyst
The activities towards developing the MoXOY augmented-mixed phase (ZSM-5 and SAPO-34) zeolite crystal of hierarchical structure were initially focused on the synthesis of hierarchical structure and the core-shell structures of individual zeolite components, namely SAPO-34 and ZSM-5. Optimization of the synthesis conditions was also carried out and revealed the beneficial role of the functionalization of SAPO-34.
On the other hand, the FSP (Flame Spray Pyrolysis) technology is used to incorporate Mo and Mo-based active species into the zeolite and to synthesize doped catalysts. The adjustment of the precursor mixture and the operating parameters is vital to achieving suitable properties of the nanopowder obtained. Thus, the liquid precursor mixture formulations have been optimized, and their stability was tested to ensure the reproducibility of the synthetic process during the whole batch. Simultaneously, several adjustments related to the operating conditions must be adapted for each batch produced.
Adjustments both in precursor mixture formulation and in the operating parameters resulted in particle size reduction of at least 50% and enabled the preparation of an FSP protocol. Regarding the optimization of elements and conditions of 3D printing, tests using DLP (Digital Light Processing) using commercial ceramic loaded resin and the calcined ZSM-5 reference powder have been developed to study the mechanical properties of the structure.
2. Rational design of catalyst/multiscale modeling
Modeling activities include the development of hierarchical models and simulations to three levels:
- Modeling catalytic material. The active site of the catalyst and the determination of the reaction path for the ethylene formation have been developed, concluding that the catalyst used to activate methane is almost optimal.
- Modeling and simulation of the process via MDO – The final approach of the reactor and the upstream models has been carried out. The different units involved in the process have been identified, allowing them to develop a global mass balance that is the base of the MDO.
- Modeling of the reactor using CFD – A full-size reactor has been modeled using a combined 3D-1D model based on representative volume elements (RVEs), which have been modeled using CFD simulations of a reacting flow through a porous medium, employing the numerical solver OpenFOAM® reactingFoam.
3. Design, construction and validation of catalytic reactor
The task related to developing a prototype to treat approximately 4Nl/min of gas flow inlet to obtain 40g/h of products has already finished. At this stage, the reactor is already designed and built and allowed to perform relevant tests.
The development of the membranes required in the separation processes is also integrated. Different types of commercial membranes and amines have been studied for upgrading biogas from methane (purifying gas fed), concluding that using X50 PP membrane and DEA as solvent >95% of CO2 can be removed, and >98% of CH4 can be recovered. On the other hand, the specifications established in the Grant Agreement in the separation of the MDA effluent (H2 permeance>10-7 mol.m-2.s-1.Pa-1 H2/C6H6 >200) have also been achieved by using H2 selective membrane. The catalytic reactor is placed between these two membrane processes.
4. Communication and Dissemination
All the achievements in communication and dissemination for the ZEOCAT-3D project can be checked on our webpage (
https://www.zeocat-3d.eu/(se abrirá en una nueva ventana)) social media (
https://twitter.com/Zeocat_3D(se abrirá en una nueva ventana) https://www.linkedin.com/company/zeocat-3d/
https://www.youtube.com/channel/UCrj9o-C0AVqime6DWGQ9yZQ(se abrirá en una nueva ventana)) and in the ZEOCAT-3D community created in the ZENODO platform (
https://zenodo.org/communities/zeocat-3d/?page=1&size=20(se abrirá en una nueva ventana)).
