Berg, B. A. Celik, T., New approach to spin-glass simulations, Phys. Rev. Lett. 1992, 69, 2292-2295 [Pg.117]

Berg, B. A. Neuhaus, T., Multicanonical ensemble a new approach to simulate first-order phase transitions, Phys. Rev. Lett. 1992, 68, 9-12 [Pg.29]

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Within the deterministic approach, this can also be expressed in terms of the forward and reverse rate constants, for and rev and equivalently in our discrete CA model the forward and reverse transition probabilities, Pt(A B) and Pj(B A), respectively [Pg.115]

Fig. 13. Schematic diagram showing (a) approach to constant pattern behavior for a system with a favorable isotherm and (b) approach to proportionate pattern behavior for a system with an unfavorable isotherm, jy axis cj qlj q,----------------------- < q,-- From ref. 7. |

Dukler, A. E. et al., Frictional Pressure Drop in Two-Phase Flow1 B—An Approach Through Similarity Analysis, A.I.Ch.E.J. 10, [Pg.157]

Figure 5.7 The variation of the potential energy as two non-bonded atoms approach each other curve a, the hard sphere model curve b, a potential of the form V = C/r12. |

Our simulation work has identified a value-adding extension of this approach where if there are two alternative liabilities A and B, a prediction of the presence of A or B can select compounds for relatively early screening against either risk factor, leaving the other to be assessed later. For certain combinations of the ratios of costs of screening and prevalence for A and B, [Pg.268]

The rate constant will be either a linear or a plateauing function of [B], depending on the magnitude of k[[B] compared to k + k2. If the rate constant does level out at a high [B], it approaches k2, which is the maximum value. On the other hand, if fcss applies, the rate never attains a maximum. Solutions for the case where B is not present in large excess have also been presented.13 [Pg.90]

The value of coefficient depends on the composition. As the mole fraction of component A approaches 0, approaches ZJ g the diffusion coefficient of component A in the solvent B at infinite dilution. The coefficient Z g can be estimated by the Wilke and Chang (1955) method [Pg.136]

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