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Imperial College London
Imperial College London:
Dr Xuehui Wang
University of South Wales:
Building upon available high-accuracy Helmholtz EoS for pure substances, the MFHEA was developed for natural-gas systems , and has been extended to combustion gases including some CO2 -rich mixtures ; however, it is not currently parameterised for all key components in CCUS and hydrogen processes. This is especially true of mixtures containing hydrogen. Therefore, the first objective is to develop the parameter sets necessary to fully incorporate hydrogen as a mixture component within the MFHEA.
Currently, the MFHEA approach is not widely utilised in industry, with the exception of natural-gas properties required in custody transfer. Lack of familiarity and perceived concerns about computational demands are among the reasons. On the other hand, the shortcomings of traditional approaches are not widely recognised. Therefore, the second objective will be to undertake and publish case studies with industrial collaborators in which the role of thermodynamic models in CCUS and/or hydrogen processes is explored. Specifically, the task will be to contrast the predicted process performance using traditional thermodynamic models and the MFHEA. References: 1. Kunz, O.; Wagner, W. J. Chem. Eng. Data (2012), 57, 3032-3091 2. Gernert, J.; Span, R. J. Chem. Thermo. (2016) 93, 274-293
CO2 hydrogenation is one of most notable carbon utilization technologies and, with blue or green hydrogen, it has great potential in industrial decarbonization. MeOH, CO2 and H2 are the main substances involved in these processes.
Thermodynamic properties and phase behavior are fundamental to the design, optimization and maintenance of the processes involved in CO2 hydrogenation. Unfortunately, there are still no consistent and reliable theoretical models covering wide operating regimes. The multi-fluid Helmholtz energy approximation (MFHEA) Equation of state has great advantages and the potential to represent the properties of these systems reliably. Nevertheless, it has not been fully parameterized and widely utilized outside of the natural gas and refrigeration industries.