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Abstract. The temperature and pressure correlations for the volume of gas hydrates forming crystal structures sI and sII developed in previous study [Fluid Phase Equilib. 427 (2016) 268-281], focused on the modeling of pure gas hydrates relevant in CCS (carbon capture and storage), were revised and modified for the modeling of mixed hydrates in this study. A universal reference state at temperature of 273.15 K and pressure of 1 Pa is used in the new correlation. Coefficients for the thermal expansion together with the reference lattice parameter were simultaneously correlated to both the temperature data and the pressure data for the lattice parameter. A two-stage Levenberg Marquardt algorithm was employed for the parameter optimization. The pressure dependence described in terms of the bulk modulus remained unchanged compared to the original study. A constant value for the bulk modulus B0 = 10 GPa was employed for all selected hydrate formers. The new correlation is in good agreement with the experimental data over wide temperature and pressure ranges from 0 K to 293 K and from 0 to 2000 MPa, respectively. Compared to the original correlation used for the modeling of pure gas hydrates the new correlation provides significantly better agreement with the experimental data for sI hydrates. The results of the new correlation are comparable to the results of the old correlation in case of sII hydrates. In addition, the new correlation is suitable for modeling of mixed hydrates.

After long and successful development history of Solid Oxide Cells (SOC) continuous improvement in performance, longevity, manufacturing, and system integration it is necessary to bring this highly efficient technology to the market. The activities on material development and optimization at IKTS are focused mainly on enhancement of durability for SOFC, SOEC, and rSOC operation and on boosting the power density. During recent years considerable efforts on simplification and automation of cell and stack manufacturing processes have been addressed. The processes for electrode manufacturing have been adjusted for high yield automated printing on thin electrolytes with integrated quality control measures. Efficient ways for reduction of time and energy consumption for sealing process of SOC stacks have been found and demonstrated in pilot production as well as automated assembling of components to stacks was shown. The increasing interest in “green hydrogen” created multiple opportunities for SOEC technology to be considered as inherent part of industrial and chemical processes. IKTS pioneering work on coupled operation of SOEC module with Fischer-Tropsch reactor provided first demonstration of feasibility of this approach for wax production. However, high power electrolysis applications (>10 MW) will need new approaches for stack design and put higher requirements on durability.

For carbon capture and storage (CCS) applications different sets of equations of state are used to describe the whole CCS-chain. While for the transport and pipeline sections highly accurate equations of state (EOS) explicit in the Helmholtz energy are used, properties under typical geological storage conditions are described by more simple, mostly cubic EOS, and brines are described by Gibbs energy models. Combining the transport and storage sections leads to inconsistent calculations. Since the used models are formulated in different independent variables (temperature and density versus temperature and pressure), mass and energy balances are challenging and equilibria in the injection region are difficult to model. To overcome these limitations, a predictive combination of the Gibbs energy-based IAPWS seawater model (IAPWS R13-08, 2008) with Helmholtz energy-based multi-parameter EOS is presented within this work. The Helmholtz energy model used in this work is based on the EOS-CG-2016 of Gernert and Span (J Chem Thermodyn 93:274–293, 10.1016/j.jct.2015.05.015, 2016). The results prove that a consistent combination of the two different models is possible. Furthermore, it is shown, that a more complex brine model needs to be combined with Helmholtz energy EOS for calculations at storage conditions.