Parameterization generic parameters

Generics can be parameterized, i.e.,they can include other generics. Parameter can be left uncompleted, meaning any of, or completed, using other generic as assignment, similarly to the operations on the CC components. 

Metal-phosphine bonds can generally be modeled in much the same way as any other metal-heteroatom bond. The fact that phosphines participate in x-backbonding (filled dn (metal) -> empty d or a (phosphorus) interaction) is only of importance for generic force field parameterization schemes, and half-integer bond orders have been used to describe the effect of x-back-donation[ 153). In the usually adopted empirical force field formalism, x-bonding effects, like most of the other structural/elec-tronic effects, are accommodated by the general parameter-fitting procedure (see Parts I and III). 

Here, X is a generic mole fraction and can refer to any phase. When subscripts f and j are ideatkal in Eq-(1.3-32) or (1.3-33), the parameters refer to a pure component. When they are different, tha parameters are called interaction parametere and these depend on the prepurties of tha bienry i-j mixture as indicated by the subscripts. To estimate these interaction puiameters, we use combining rules, for example,... 

Fig. 5 Generic modular stmcture of the overall inteimoleculai opdmizadon toolbox consisting of the abstract layer Generic Optimization and the three specific layers Frace-Field (EF) Parameterization, Parallel Jobs (PJOBS), and Simulation. Most of the modules require input parameters, which are defined in the configuration file (i.e., Config )...

The simulation put forward in section 2.5 uses a certain number of parameters. The approach we now advocate is not to set preconceived values for these parameters, but instead to identify them on the basis of systematic experimental characterizations. Thus, if the model is generic, the result of the parameterization will ultimately always be specific to the particular electrolyzer in question. The experimental characterizations upon which this section is based are those presented in section 2.6. 

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