The work performed and the main results from the project will be covered for each of the five technical Work Packages.
For WP2, first and second generation catalysts for OCoM have been scaled up and tested as both powders and single pellets to determine the optimal conditions for the optimal conversion to an equimolar concentration of ethene and CO. The optimal conditions consider that any ethane produced in the reaction will be converted to ethene in a downstream post-bed cracker. The chosen catalyst system was tested in a TRL 5 reactor. Modelling based on the intrinsic kinetic studies in the project showed that natural gas compositions with a naturally high concentration of C2 components provide the best feedstocks for realisation of a C123 process. Unfortunately, this concept is not useful for conversion of biogas since the CO2 in biogas cannot be converted in the process. Further increases in carbon conversion rates and higher reaction pressures are needed for commercialisation of the process.
For WP3, porous materials have been synthesized, scaled-up, shaped and tested as heterogeneous catalysts in gas phase HF. Of materials tested at TRL4, the one based on the Metal-organic Framework NU-1000 and post-modified with an appropriate phosphine and a homogeneous rhodium HF catalyst provided ethene conversion and propanal selectivity far beyond those previously observed for a heterogeneous, gas phase HF reaction. This catalyst was tested at TRL 5, but it did not work as well due to leaching and deactivation. A hindrance to commercialisation, beyond the technical challenges, is the high price of the material. More economic catalysts that demonstrate better stability will be needed for commercial viability. A kinetic model based on the gas phase testing data suggested that the same rate determining steps that were observed for the homogeneous catalyst also are relevant for the gas phase reaction.
For WP4, process models for both the add-on route and modular route were designed and validated. For the OCoM reaction, an innovative radial reactor design involving the addition of oxygen over multiple steps controls the large heat of reaction and provides the optimal C2:CO molar ratio. Because the add-on route was designed for integration into a larger petrochemical facility, it involves cryogenic distillations for recovery of hydrocarbon feedstocks from the recycle stream. Because of costs, a standard homogeneous HF reaction step was used. For the modular route, the process units must fit into containers, limiting size. Thus, cryogenic separations were avoided. The heterogeneous HF reaction was part of the modular process. Except for the OCoM and heterogenous HF reactions, all process steps were modifications of established technologies. Both processes, however, still have many steps and must operate at different pressure levels. The need for hydrogen not supplied from the reaction processes is also a challenge.
In WP5, TEAs and LCAs of the five different exploitation Scenarios were completed. Both the TEA and LCA confirm that the conversion of associated gas to propanol via the modular process (Scenario B2) was the most promising Scenario. Since associated gas is currently flared and has no significant value, conversion of this wasted carbon resource to a useful chemical is both economically beneficial and improves significantly the climate change impact. However, a reduced HF catalyst cost will improve the overall economics.
The project has thus far produced 13 scientific publications, been featured 40 times at conferences and workshops and provided 5 patents. A project video was also produced. For Scenario B2, an exploitation Roadmap for development to TRL 9 was created and a business survey illustrated the overall commercial interest in the concept, given the required process and economic improvements.
