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Reaction dynamics is a field within physical chemistry, studying why chemical reactions occur, how to predict their behavior, and how to control them. It is closely related to chemical kinetics , but is concerned with individual chemical events on atomic length scales and over very brief time periods. [ 1 ]
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.
Chemical thermodynamics is the study of the interrelation of heat and work with chemical reactions or with physical changes of state within the confines of the laws of thermodynamics. Chemical thermodynamics involves not only laboratory measurements of various thermodynamic properties, but also the application of mathematical methods to the ...
The chemical system will attempt to partly oppose the change affected to the original state of equilibrium. In turn, the rate of reaction, extent, and yield of products will be altered corresponding to the impact on the system. This can be illustrated by the equilibrium of carbon monoxide and hydrogen gas, reacting to form methanol. C O + 2 H 2 ...
In theoretical chemistry, chemists, physicists, and mathematicians develop algorithms and computer programs to predict atomic and molecular properties and reaction paths for chemical reactions. Computational chemists, in contrast, may simply apply existing computer programs and methodologies to specific chemical questions. [6]
As an example, consider the gas-phase reaction NO 2 + CO → NO + CO 2.If this reaction occurred in a single step, its reaction rate (r) would be proportional to the rate of collisions between NO 2 and CO molecules: r = k[NO 2][CO], where k is the reaction rate constant, and square brackets indicate a molar concentration.
In combination with entropy determinations, it is also used to predict whether a reaction is spontaneous or non-spontaneous, favorable or unfavorable. Endothermic reactions absorb heat, while exothermic reactions release heat. Thermochemistry coalesces the concepts of thermodynamics with the concept of energy in the form of chemical bonds.
Gutierrez uses computer modeling to help understand chemical reactions before trying traditional methods. [3] Gutierrez's model helps to experiment with less resources and predict how the atoms and molecules will arrange themselves during the chemical reactions, giving scientists a more accurate prediction. [7] Iron(III)-sulfate-3D-balls-ionic