Grid entity

Ideally, all components of interest (including such entities as common cleaning materials, air, water, heat, materials of construction, additives, catalysts, other utility services, etc.) are listed on both the x and y axes of the grid. The intersections of the cells in the matrix represent the consequences of each mixed pair. Presentation of the data in chart form allows for quick use, especially during a process upset (i.e., emergency) situation. 

Fig. 8. (Opposite page) Example of grid parameter file for use in AutoDock. The file is largely self-explanatory. Reference is made to the grid maps that have been calculated using different molecular entities to probe the interaction with the protein.

The term macroscale will be used to denote multiphase models that employ a hydro-dynamic description of the disperse phase. Such models are also called multi-fluid models (because the disperse phase is treated as an effective fluid), or Euler-Euler models. The name of the latter comes from the numerical treatment of the disperse phase (i.e. discretization on a fixed grid), as opposed to Euler-Lagrange models wherein the disperse phase is tracked in a Lagrangian framework as discrete entities. We should note that, in the... 

The model included 2 types of entities female individuals and quadratic grid cells comprising the habitat. The individuals were characterized by the state variables identity number, generation number, location (coordinates of a grid cell), and an array of experienced local densities (density history). The time unit was a day and simulations usually lasted for 1 year (365 days). A grid cell s size represented lxl m, and the habitat contained a number of grid cells depending on the spatial scenario (e.g., an array of 600 cells for a ditch scenario). 

The model is formulated as a rule-based simulation model (Hansen 2001). It is grid based (Durrett and Levin 1994) and individual based (DeAngelis et al. 1994). It includes 4 types of entities (Figure 8.4) grid cells (voles home range, which could include infected fox feces), voles (relative abundance within grid cells), foxes (individuals), and worms (implicit as eggs and larvae, explicit as adults). 

In the realm of supramolecular synthesis, the construction of rack, ladder, and grid architectures represents a particular case of self-assembly, which relies on the three basic levels of operation of a programmed supramolecular system recognition (selective interaction of complementary components) orientation (building up the stmcture through the con ect spatial disposition of the components) and termination, that is, the formation of the desired discrete supramolecular entity. "... 

A further step in programming inorganic supramolecular systems consists of the use of ligands with a doublecode program, that is, ligands with two complexation subunits that code the assembly of two different structures within the same supramolecular entity, for example, a double helicate and a [2x2] grid. Each code may be... 

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