Experimental and Simulation Results

Further examples of the ALIS-based Ka measurement are shown in Fig. 3.8. 

Competition-based Binding Site Determination and Affinity Ranking in Mixtures 

The competitor used in these experiments may be either a known ligand or MS-sensitive substrate or cofactor for the target of interest, a representative chosen from multiple ligand classes discovered in a high-throughput screening cam- 

Affinity Selection-Mass Spectrometry System for the Discovery and Characterization 

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Fig. 2.65 Comparison between numerical simulation and experimental results for the temperature field on the heater surface. The solid line represents simulation, and triangles (A) experimental results (line 1 in Fig. 2.64) dotted line represents simulation, and squares experimental results (line 2 in Fig. 2.64). Reprinted from Mishan et al. (2007) with permission...

Fig. 3. (a) Comparison of the simulation results and experimental results of the bubble rise velocity, (b) Comparison of the simulation and experimental results of the bubble aspect ratio. 

Stability of sputtered molecules. In order to further mimic experimental conditions, many trajectories are evaluated by choosing an ensemble of impact points for the energetic particle within the surface unit cell. The experiments with which the simulations are compared are performed so that the majority of the bombarded surface is undamaged This makes direct comparisons between the simulated and experimental results possible. 

As demonstrated in this section, the agreement between simulation and experimental results for keV particle bombardment of solids is remarkable. This is especially true when one considers the rather crude potentials used in the calculations. To understand the reason for this agreement, the underlying features of the dynamics should be reviewed. The surface structures which are... 

In recent years, several computer simulations have been performed for the dynamics of rodlike polymers in concentrated solutions [119-123], using various models and methods. Although the models used are not necessarily realistic, the simulation gives us information about the quantities of theoretical importance but not experimentally measurable (e.g., DB and D ). Furthermore, the comparison between simulation and experimental results may reveal the factors mainly responsible for the dynamics under study. 

As shown in Fig. 18, the simulation conductivity data were generally consistent with the experimental results. However, there are appreciable differences between the simulation and experimental results. At some points, the differences can be 100%. The other observation is that the simulation must underestimate the activation energies of the conduction. The primary reason for this discrepancy is that these simulation models do not take into account interaction between the membrane itself and its environment. In reality, the water uptake at elevated temperatures may be greater than that at room temperature. In the simulations, it was assumed that both... 

Fig. 6.7 Comparison between simulation and experimental results for the 3-cell tube fed with H2/H2O at the anode and air at the cathode.

Fig. 2. Simulation and experimental results of the separation of n-hexane-ethyl acetate by using batch distillation with acetonitrile as a heavy heterogeneous entrainer.

Simulation and experimental results (xi -hexane X2 ethyl acetate X3 acetonitrile)... 

A comparison between experimental and simulated main Debye relaxation time is presented in Figure 16-7. Simulation and experimental results show excellent agreement for not so dilute systems (p > 0.4g/cm3). However, below this density the experimental Debye time increases with decreasing density, whereas simulation results for this quantity keep decreasing and approaching the limiting behavior of a collection of free rotors. The extent of the loss of dynamic correlation between... 

Mesoscopic physics has developed rapidly over the last three deeades. An example is the vast amount of work on microemulsions, both experimentally and theoretieaUy, including simulations. Theoretical, simulated and experimental results are consistent with one another for key parameters of specific systems. Furthermore, certain key parameters such as the bending modulus have been determined experimentally for specific systems using a multitude of methods, also yielding consistent results. Because of the above, the area of mesoscopic physics is especially now suitable for application in the food technology area. 

Changes of volume upon fusion together with compressibilities, expansivities, and specific heats calculated by Woodcock and Singer are shown in Table 5.14. What is the uncertainty in these calculations It is around 0.5 cm mol and within this error the agreement of simulated and experimental results is rather good. Thus, at 1045 K for the volumes... 

The basic concepts underlying the methods of data analysis discussed here are illustrated in Figure 9-1. The results of an experiment are data. A model is a description of the processes taking place in the experimental system being observed, which defines a mathematical relationship between the independent variables and the results. The model also defines physical parameters as variables to be fitted. With plausible initial values of the parameters, the mathematical relationships are used to obtain simulated data, which are compared with the experimental data. The values of the parameters are then varied until an optimal fit is obtained of the simulated and experimental results. 

Numerical simulations and experimental results (a) Numerical simulations... 

In this paper we examine the effect of the fluid-wall potential on the free energy surface and the structure of the confined fluid. We make qualitative comparisons between simulated and experimental results, regarding the fluid structure and hysteresis behavior. 

Some general properties for stochastic errors have been established for impedance measurements through experimental observation and simulations. The results described here correspond to additive time-domain errors. The comparison between simulations and experimental results obtained via Fourier analysis supports the suggestion that the nature of experimental time-domain errors is likely to be additive rather than proportional ... 

J. Grzanna, H. Jungblut, and H.-J. Lewerenz, A model for electrochemical oscillations at the Sit electrolyte contact, part II. Simulations and experimental results, J. Electroanal. Chem. 486, 190, 2000. 

As one objective of model construction is to obtain the best fit between model simulations and experimental results, appropriate kinetic data have to be obtained. Experiments can be performed in different systems ... 

Acetone / Carbon Dioxide. A molecular simulation study for this binary system has appeared in (4). In that study, good qualitative, but not quantitative, agreement was obtained between simulation and experimental results. The differences were ascribed to the inadequacy of the U potential to represent the properties of carbon dioxide and acetone. However, in that work, the pure component potential parameters for acetone were not optimized. The simulations in this... 

FIGURE 10.12 Comparison of simulated and experimental results for Rushton turbine (r/T = 0.171 z/T = 0.329). Traces simulation results Schafer et al. (1997) data (from Ranade et o/., 2001a). 

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