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The Flory–Fox equation relates the number-average molecular weight, M n, to the glass transition temperature, T g, as shown below: =, where T g,∞ is the maximum glass transition temperature that can be achieved at a theoretical infinite molecular weight and K is an empirical parameter that is related to the free volume present in the polymer sample.
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.
The following codes can predict stable and metastable structures given chemical composition and external conditions (pressure, temperature): AIRSS - Ab Initio Random Structure Searching based on stochastic sampling of configuration space and with the possibility to use symmetry, chemical, and physical constraints. Has been used to study bulk ...
Collision theory is a principle of chemistry used to predict the rates of chemical reactions. It states that when suitable particles of the reactant hit each other with the correct orientation, only a certain amount of collisions result in a perceptible or notable change; these successful changes are called successful collisions.
Le Chatelier–Braun principle analyzes the qualitative behaviour of a thermodynamic system when a particular one of its externally controlled state variables, say , changes by an amount , the 'driving change', causing a change , the 'response of prime interest', in its conjugate state variable , all other externally controlled state variables remaining constant.
A chemical equation is the symbolic representation of a chemical reaction in the form of symbols and chemical formulas.The reactant entities are given on the left-hand side and the product entities are on the right-hand side with a plus sign between the entities in both the reactants and the products, and an arrow that points towards the products to show the direction of the reaction. [1]
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 ...
Much of chemistry research is focused on the synthesis and characterization of beneficial products, as well as the detection and removal of undesirable products. Synthetic chemists can be subdivided into research chemists who design new chemicals and pioneer new methods for synthesizing chemicals, as well as process chemists who scale up chemical production and make it safer, more ...