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UNIFAC uses the functional groups present on the molecules that make up the liquid mixture to calculate activity coefficients. By using interactions for each of the functional groups present on the molecules, as well as some binary interaction coefficients, the activity of each of the solutions can be calculated.
A better form of the interpolation polynomial for practical (or computational) purposes is the barycentric form of the Lagrange interpolation (see below) or Newton polynomials. Lagrange and other interpolation at equally spaced points, as in the example above, yield a polynomial oscillating above and below the true function.
In chemistry, molecularity is the number of molecules that come together to react in an elementary (single-step) reaction [1] and is equal to the sum of stoichiometric coefficients of reactants in the elementary reaction with effective collision (sufficient energy) and correct orientation. [2]
Layers of Pascal's pyramid derived from coefficients in an upside-down ternary plot of the terms in the expansions of the powers of a trinomial – the number of terms is clearly a triangular number. In mathematics, a trinomial expansion is the expansion of a power of a sum of three terms into monomials. The expansion is given by
If the sum is of the form = ()where ƒ is a smooth function, we could use the Euler–Maclaurin formula to convert the series into an integral, plus some corrections involving derivatives of S(x), then for large values of a you could use "stationary phase" method to calculate the integral and give an approximate evaluation of the sum.
A derivation of Faulhaber's formula using the umbral form is available in The Book of Numbers by John Horton Conway and Richard K. Guy. [17] Classically, this umbral form was considered as a notational convenience. In the modern umbral calculus, on the other hand, this is given a formal mathematical underpinning.
Scatchard [10] extended the theory to allow the interaction coefficients to vary with ionic strength. Note that the second form of Brønsted's equation is an expression for the osmotic coefficient. Measurement of osmotic coefficients provides one means for determining mean activity coefficients.
where A and B are reactants C is a product a, b, and c are stoichiometric coefficients,. the reaction rate is often found to have the form: = [] [] Here is the reaction rate constant that depends on temperature, and [A] and [B] are the molar concentrations of substances A and B in moles per unit volume of solution, assuming the reaction is taking place throughout the volume of the ...