Seed atom

The mass action law or Saha equation for thermal ionisation of seed atoms is... 

A derivation of equation 49 is given in Reference 36. In flows of interest in MHD power generation the total pressure is about 101 kPa (1 atm) and the partial pressure of seed is 1 kPa (0.01 atm). Also, it is usually possible to assume that and that only one species (seed atoms) ionize. In rare... 

Referring back to equation 47, the other quantity necessary in calculating the gas conductivity is the coUision cross section, Gases contain at least four types of particles electrons, ionized seed atoms, neutral seed atoms, and neutral atoms of the carrier gas. Combustion gases, of course, have many more species. Each species has a different momentum transfer cross section for coUisions with electrons. To account for this, the product nQ in equation 47 is replaced by the summation where k denotes the different species present. This generalization also aUows the conductivity calculation to... 

Alaboson, J.M.P., et ah, Seeding atomic layer deposition of high-kdielectrics on epitaxial graphene with organic self-assembled monolayers. ACS Nano, 2011. 5(6) p. 5223-5232. 

Build up structures from randomly seeded atoms and randomly selected torsions... 

In order to consider the periodic crystal potential in cluster calculations, we developed the "chemically complete cluster model" (MODEL II) [10], which is similar to that proposed by Goodman et al. [11]. In our cluster model, atoms in the cluster are classified into three types. Type I atoms are "seed atoms" of which basis functions are obtained by the self-consistent procedure. The seed atoms are chemically complete. Namely, they are put in a potential environment similar to that in the bulk. Type II atoms are "passive atoms" of which basis functions are solved in the same potential field as for the type I atoms of the same species. Type in atoms have atomic potentials which are the same as in the type I atoms, but their wavefunctions are not included in molecular orbital calculations. The validity of MODEL II is tested for TiC in comparison with the results obtained using MODEL I. 

Sanders, S. T., D.W. Mattison, J. B. Jeffries, and R. K. Hanson. 2003. Time-of-flight diode-lttser velocimetry using a locally-seeded atomic absorber Application in a pulse detonation engine. Int. J. Shock Waves 12 435-41. 

Fig. 1 Pictorial representation of the dynamic partitioning using the seed atom method for the F( P) -I- squalane reaction...

An arbitrary atom is chosen as the first seed atom, the center around which the remaining atoms are placed. 

A new seed atom is drawn from the queue, and steps 2 and 3 repeated. This continues until the queue is empty. 

Redrawing proceeds by removing from the redraw queue its highest priority atom, which will be referred to as the seed atom. With the exception of the first (head) atom, the seed atom has already been placed it is its neighbors that are of interest. The head atom is unique because there is no other atom, already placed, to which it can attach. The head atom is placed at its incoming position, unless it is part of a PFU, in which case that position is used. If one is drawing de novo, its location is arbitrary. 

The technique for placing the seed atom s neighbors depends on the nature of the seed atom. Most programs differentate between cyclic and acyclic cases. ChemDraw additionally distinguishes chain atoms from ordinary acyclic atoms (see the above section on Chains, Preassembly Analysis), and we present this more detailed version. 

Figure 37 Calculation of the angular spacing (6) when the seed atom is in a chain.

This algorithm returns the optimal angular spacing between the remaining unplaced substituents of the seed atom. 

A. AngleDemand will be the circular area about the seed atom taken up by PFUs, particularly rings. (For example, in Figure 36 AngleDemand at the seed atom is 150°.) AngleDemand is initialized to 0°. 

B. A counter, NumSub, will be the number of substituents, not part of PFUs, that contain the seed atom. It is initialized to 0. 

E. Decrement NumSub if the seed atom is the head atom. 

Correct for fixed angle spacing. If the seed atom is a core chain atom, decrement NumSub, and increase the angular demand by the chain angle. 

This algorithm returns, as a vector, the unplaced neighbors of the seed atom, in the (CCW) order in which they should be placed. 

Initialize variable Left to the set of atoms adjacent to the seed atom that have not been placed. 

Examine the PFU s bonds that are adjacent to the seed atom, and locate the bond q that is equal to the seed atom s local CFS j (there must be one). Set s to q s other atom. Add the PFU s atoms to Done subtract the PFU s atoms from Left. 

If the seed atom is in a ring, the unplaced neighbors are sequenced by means of the master substituent sequencing algorithm (above), and placed at regular intervals within the seed atom s CFS (Algorithm 8). 

Algorithm 8 Substituent Placement When Seed Atom Is in a Ring... 

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