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Many rule-based approaches, for instance [ 15- 17], allow to describe species with attributes as well as rules with reactant patterns, i.e. by specifying structured molecules and rule schemata they allow to model basic reactions as an alternative to the entire network of all possible chemical species and reactions.
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For instance, a reactant pattern A x) + A(2 x) matches every solution where at least two As exist, one of which attribute's value is exactly twice the attribute's value of the other one.
The same holds true for a potential sub-solution of C; the reactant pattern matches every species where a C is part of a sub-solution of A 0), but it says nothing about a sub-solution of C. Hence, if the reactant species C would contain further species, they would get lost as well.
Therefore, instead of specifying rules with the defined reactant species, we define a reactant pattern by inserting a variable x for the attribute of A: A (x ) → B. For convention, we write variables in a non-bold font type and starting with a lower case letter throughout this paper.
The UCG process involves complex physical and chemical processes, such as homogeneous and heterogeneous chemical reactions, complex flow patterns of reactant gases, heat and mass transport in porous media, fluid flow and thermo-mechanical failure of the coal seam (Daggupati et al. 2010; Nitao et al. 2010; Sarraf et al. 2011; Shirazi 2012; Najafi et al. 2014).
In step 1b, each reactant-product pair is examined, and patterns that express how reactants are transformed into products are identified.
Also beyond the specific reaction treated in this study a systematic comparison of different contacting patterns between reactants and catalyst may prove to be valuable.
A simulation of the performance of several reactor types with different contact patterns between reactants and catalyst is presented for the vanadium catalysed SO2-Oxidation process.
The representation of chemical and biological molecules by means of graphs permits the use of a maximum common subgraph (MCS) algorithm to identify the chemical structure transformation pattern between a reactant pair (Gardiner et al., 1997).
21 First, they allow the placement of reactive groups in a uniform environment on the surface and offer good control over the densities and geometric patterns of the reactants.
First, the RDM pattern for a query reactant pair is computed based on the chemical structure alignment, which is described as RDM query below.
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