In order that a meaningful accuracy can be obtained at all, it is mandatory that is so large that

AE does equal ((AA A/r/2)), as predicted by Equation 11.8 [18]. This strengthens Equation 11.9. The accuracy of AE is probably limited by Equation 11.5, which is based on an expansion in which AN is small. [Pg.162]

Equilibrium constants for protein-small molecule association usually are easily measured with good accuracy it is normal for standard free energies to be known to within 0.5 kcal/mol. Standard conditions define temperature, pressure and unit concentration of each of the three reacting species. It is to be expected that the standard free energy difference depends on temperature, pressure and solvent composition AA°a also depends on an arbitrary choice of standard unit concentrations. [Pg.130]

The free energy AA can be computed using TI and (4.49) for example. This is a somewhat indirect way of calculating AS and practically difficult in many cases since it requires computing AA with great accuracy. [Pg.157]

The accuracy of the analytical method was established hy independent analysis of the three additional filters from each of the 5 10 and 20 yg/m3 generation runs using both NAA and XRF analyses. Because NAA and XRF analysis techniques provide only a total arsenic measurement, the IC-AAS speciation results obtained for MMA, DMA and p-APA were used to estimate the total amount of arsenic. Table X presents the total arsenic obtained by the three techniques. The accuracy ranged from 90-120 of the values obtained by NAA and XRF. [Pg.400]

Chapters 7 and 8 describe two major techniques for the monitoring of trace elements in environmental samples atomic absorption (AA) and inductively coupled plasma-atomic emission spectroscopy (ICP). AA is most ideally suited for analyses where a limited number of trace metal concentrations are needed with high accuracy and precision. ICP has the advantage of multielement analysis with high speed. [Pg.1]

A 2-g air-dry soil sample (weighed to three place accuracy) is placed in a 50-mL Erlenmeyer flask or a similar size centrifuge tube and shaken with 20 mL of a 1 M, pH 7, NHtOAc solution, by shaking for 2 hours. Suspensions can be filtered or centrifuged to obtain a solution suitable for analysis by AAS or ICP (adapted from Reference 8). [Pg.232]

Martin [169] compared the AMBER, CHARMM, COMPASS, GROMOS, OPLS-AA, and TraPPE force fields with respect to their ability to predict vapor-liquid equilibrium properties and the liquid density of small alkanes and alcohols. He concluded that the force field families performing best for fluid phase simulations are TraPPE and CHARMM. CHARMM better predicts the vapor density, while TraPPE has a higher accuracy for liquid density predictions. [Pg.223]

Indeed, both expressions predict quadratic dependence of AA on the dipole moment of the solute. As in the previous example, it is of interest to test whether this prediction is correct. Such a test was carried out by calculating AA for a series of model solutes immersed in water at different distances from the water-hexane interface [11]. The solutes were constructed by scaling the atomic charges and, consequently, the dipole moment of a nearly spherical molecule, CH3F, by a parameter A, which varied between 0 and 1.2. The results at two positions - deep in the water phase and at the interface - are shown in Fig. 2.3. As can be seen from the linear dependence of A A on p2, the accuracy of the second-order perturbation theory [Pg.45]

The possibility of preconcentration of selenium (IV) by coprecipitation with iron (III) hydroxide and lanthanum (III) hydroxide with subsequent determination by flame atomic absorption spectroscopy has been investigated also. The effect of nature and concentration of collector and interfering ions on precision accuracy and reproducibility of analytical signal A has been studied. Application of FefOH) as copreconcentrant leads to small relative error (less than 5%). S, is 0.1-0.2 for 5-100 p.g Se in the sample. Concentration factor is 6. The effect of concentration of hydrochloric acid on precision and accuracy of AAS determination of Se has been studied. The best results were obtained with HCl (1 1). [Pg.293]

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