Simulated examined

Aqueous simulants examined by HPLC with UV detection. Olive oil extracted with distilled water, with determination in the water extract... 

The Feynman-Hibbs and QFH potentials have been used extensively in simulations examining quantum effects in atomic and molecular fluids [12,15,25]. We note here that the centroid molecular dynamics method [54, 55] is related and is intermediate between a full path integral simulation and the Feynman-Hibbs approximation ... 

The next two major models were those by Fuller and Newman and Nguyen and White,who both examined flow effects along the channel. These models allowed for a more detailed description of water management and the effect of dry gas feeds and temperature gradients. Throughout the next few years, several more 0-D models and 1-D models were generated. Also, some simulations examined... 

According to the MD simulations examined for cesium iodide solutions of 2.78 mol dm-3 (Csl H20 = 1 20) at 25 and 64°C and 5.56 mol dm-3 (Csl H20 = 1 10) at 64°C (34), higher ion pairs than 1 1 form in the 2.78 mol dm-3 solution, but formation is suppressed as the temperature is raised. Thus, ion-pair formation reactions between cesium and iodide, both of which are weakly hydrated, must be exothermic, although no thermodynamic data are available in the literature. The increase in concentration at a given temperature (64°C) enhances the formation of the ionic aggregates from raCsI = 1.07 to 1.80. 

The final set of simulations examined the potential relationships in a mainland-island situation where the carrying capacity of one patch is much larger than that of the connected patches. Simulations were run in the typical fashion using a three-patch linear model with the mainland patch being dosed. The carrying capacity of the dosed patch was 100,500, or 1000 with the island patches having a carrying capacity of 100. Initial population sizes were 100 for each patch. 

Liu et al. (1999b), in simulations examining the response of the Fast Ocean Atmosphere Model (FOAM Jacob, 1998) to 11,000 yr B.P. orbital forcing, have shown that El Nino variability is reduced by ca. 20% and the spectral bandwidth of El Nino changes from the broad (3-10 year) peak characteristic of the modern simulations to a narrower peak (2-3 year) at 11,000 yr B.P. This reduction in the variability appears to be associated with the simulated increase in the Indian summer monsoon. There are, however, a number of mechanisms through which changes in the Indian summer mon.soon circulation appear to impact the El NiiTo signal. First, the enhanced Indian monsoon... 

The DIN exchange flux at sediment-water interface was 1.31 mmol/(m -d) (from sediment to overlying water) by simulating examination in Chung et al. (1999). Assuming the DIN flux of fine sediment (<31 fim), medium sediment (Sl GS jum) and coarse sediment (>63 im) full flux, 1/2 of full flux and 1/8 of full flux respectively, that of natural sediments in different regions could be obtained from the formula (Song et ah, 2003)... 

As a point of reference for the proportions of corporate and government bonds in the portfolio, historical data are analyzed. An ex post simulation examines how the risk/return relation of a mixed portfolio would have developed in the past. The (expected) return of a mixed portfolio is made up as follows ... 

Most fundamental simulations examine simple flow situations such as elongation and linear shear flows. These flows appear in many microfluidic structures and include a wide range... 

In this two-component model, the specific geometries of the deposited clusters have not been considered a potentially important factor in defining the specific shape of the seahorse-like patterns. In fact, the model does not rely on whether the deposited species is a cluster or a single atom. Results of a detailed computer simulation, examining quantitatively and on the atomic scale the effects of a second (charged) component on pattern formation in a DLA-based model, will be published elsewhere. 

In the production of dimethyl carbonate from methanol, it is necessary to separate methanol from formal (also known as methylal—C3H8O2). However, an azeotrope exists between these two conponents. Using a process simulator, examine the equilibrium curves (x-y plots) between 100 kPa and 1000 kPa to determine a strategy for purifying these two conponents. Conpare your results for... 

Experimentalists do not have as easy a time as computer simulators examining the complex details of processes such as conformational transitions. They can vary conditions and see if the changes in quantities like transition rates are as expected. Generally the most detailed measurements of a linear dynamical process are determinations of time correlation functions. Simple processes frequently exhibit a correlation function consisting of one, or a few, exponential decays. However with many degrees of freedom nonexponential relaxation often occurs. For this reason it is worthwhile to examine several time correlation functions related to conformational transitions to see if the mechanics is reflected in some characteristic way. The study also serves as a guideline to the experimentalist and simulator as to how to convert time correlation data into transition rates for the fundamental processes. 

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