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VLE of the mixture of chloroform and methanol plus NRTL fit and extrapolation to different pressures. The non-random two-liquid model [1] (abbreviated NRTL model) is an activity coefficient model introduced by Renon and Prausnitz in 1968 that correlates the activity coefficients of a compound with its mole fractions in the liquid phase concerned.
For instance the saturation index for CaCO 3 scale is calculated using the formula; F s = {[Ca 2+][CO 3 2−]}/K sp. Where F s is the scale saturation ratio, defined as the ratio of the activity product to the solubility product of the salt. Activity is defined as the product of the activity coefficients and the concentrations of Ca 2+ and SO 4 ...
In chemistry, Le Chatelier's principle (pronounced UK: / l ə ʃ æ ˈ t ɛ l j eɪ / or US: / ˈ ʃ ɑː t əl j eɪ /) [1] is a principle used to predict the effect of a change in conditions on chemical equilibrium. [2] Other names include Chatelier's principle, Braun–Le Chatelier principle, Le Chatelier–Braun principle or the equilibrium ...
Therefore, the constants obtained above T g are not useful for predicting the response of the polymer for structural applications, which necessarily must operate at temperatures below T g. The WLF equation is a consequence of time–temperature superposition (TTSP), which mathematically is an application of Boltzmann's superposition principle.
When B / C > 1, B is the favored product, and the data on the Van 't Hoff plot will be in the positive region. When B / C < 1, C is the favored product, and the data on the Van 't Hoff plot will be in the negative region. Using this information, a Van 't Hoff analysis can help determine the most suitable temperature for a ...
A water model is defined by its geometry, together with other parameters such as the atomic charges and Lennard-Jones parameters. In computational chemistry, a water model is used to simulate and thermodynamically calculate water clusters, liquid water, and aqueous solutions with explicit solvent, often using molecular dynamics or Monte Carlo methods.
Chemical water analysis is carried out on water used in industrial processes, on waste-water stream, on rivers and stream, on rainfall and on the sea. [1] In all cases the results of the analysis provides information that can be used to make decisions or to provide re-assurance that conditions are as expected.
The primary objective of chemical thermodynamics is the establishment of a criterion for determination of the feasibility or spontaneity of a given transformation. [3] In this manner, chemical thermodynamics is typically used to predict the energy exchanges that occur in the following processes: Chemical reactions; Phase changes; The formation ...