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The equation parameters and all other information required to calculate values of the important thermodynamic functions are stored in a thermodynamic datafile. The values are organized in a format that makes them readable by a thermodynamic calculation program or for use in a spreadsheet.
This would thus allow the calculation of K −1. By plotting a graph of ε HG versus K −1 , the result would be a linear relationship. When the procedure is repeated for a series of concentrations and plotted on the same graph, the lines intersect at a point giving the optimum value of ε HG and K −1 .
This is illustrated in the image here, where the balanced equation is: CH 4 (g) + 2 O 2 (g) → CO 2 (g) + 2 H 2 O (l) Here, one molecule of methane reacts with two molecules of oxygen gas to yield one molecule of carbon dioxide and two molecules of liquid water. This particular chemical equation is an example of complete combustion.
Jacobus van 't Hoff (1852–1911), an influential theoretical chemist and the first winner of the Nobel Prize in Chemistry.. Theoretical chemistry is the branch of chemistry which develops theoretical generalizations that are part of the theoretical arsenal of modern chemistry: for example, the concepts of chemical bonding, chemical reaction, valence, the surface of potential energy, molecular ...
The McCabe–Thiele method is a technique that is commonly employed in the field of chemical engineering to model the separation of two substances by a distillation column. [ 1 ] [ 2 ] [ 3 ] It uses the fact that the composition at each theoretical tray is completely determined by the mole fraction of one of the two components.
Fractionation at total reflux. The Fenske equation in continuous fractional distillation is an equation used for calculating the minimum number of theoretical plates required for the separation of a binary feed stream by a fractionation column that is being operated at total reflux (i.e., which means that no overhead product distillate is being withdrawn from the column).
In theoretical and computational chemistry, a basis set is a set of functions (called basis functions) that is used to represent the electronic wave function in the Hartree–Fock method or density-functional theory in order to turn the partial differential equations of the model into algebraic equations suitable for efficient implementation on a computer.
The equation for the group interaction parameter can be simplified to the following: Ψ m n = exp − a m n T . {\displaystyle \Psi _{mn}=\exp {\frac {-a_{mn}}{T}}.} Thus a m n {\displaystyle a_{mn}} still represents the net energy of interaction between groups m {\displaystyle m} and n {\displaystyle n} , but has the somewhat unusual units ...