Search results for "semi-empirical model"
showing 2 items of 2 documents
A semi-empirical multipurpose steady-state model of a fuel cell for household appliances
2013
In this paper, a multipurpose model of a proton exchange membrane fuel cell for household appliances is proposed. According to a conventional mathematical approach, the proposed model is derived from the physical and electro-chemical equations that rule the fuel cell behaviour. Differently from existing models, a parametric analysis is carried out and a few tunable parameters are accurately selected and identified. Furthermore, this paper proposes an innovative technique of unique model architecture which enables the designer to solve by himself the trade-off between complexity and accuracy on the basis of the specific applications. Three different choices could be performed by the designer…
Modelling of thermo-chemical properties over the sub-solidus MgO–FeO binary, as a function of iron spin configuration, composition and temperature
2014
Thermo-chemical properties and T–X phase relations diagram of the (Mg,Fe)O solid solution are modelled using mixing Helmholtz energy, ΔF(T,x)mixing, calculated by quantum mechanical and semi-empirical techniques. The sub-solidus MgO–FeO binary has been explored as a function of composition, with iron either in high-spin (HS) or low-spin (LS) configuration. Only the HS model provides physically sound results at room pressure, yielding a correct trend of cell edge versus composition, whereas LS’s issues are at variance with observations. Mixing Helmholtz energy has been parametrized by the following relationship: ΔF(T,x)mixing = x × y × [U0(T) + U1(T) × (x – y) + U2(T) × (x − y)2]−T × S(x,y)c…