Search results
Results from the Think 24/7 Content Network
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.
Thermochemistry. Thermochemistry is the study of the heat energy which is associated with chemical reactions and/or phase changes such as melting and boiling. A reaction may release or absorb energy, and a phase change may do the same. Thermochemistry focuses on the energy exchange between a system and its surroundings in the form of heat.
Stoichiometry. A stoichiometric diagram of the combustion reaction of methane. Stoichiometry ( / ˌstɔɪkiˈɒmɪtri /) is the relationship between the weights of reactants and products before, during, and following chemical reactions . Stoichiometry is founded on the law of conservation of mass where the total mass of the reactants equals the ...
In chemical thermodynamics, the reaction quotient ( Qr or just Q) [ 1] is a dimensionless quantity that provides a measurement of the relative amounts of products and reactants present in a reaction mixture for a reaction with well-defined overall stoichiometry at a particular point in time. Mathematically, it is defined as the ratio of the ...
Le Chatelier's principle (pronounced UK: / lə ʃæˈtɛljeɪ / or US: / ˈʃɑːtəljeɪ / ), also called Chatelier's principle (or the Equilibrium Law ), [ 1][ 2] is a principle of chemistry used to predict the effect of a change in conditions on chemical equilibrium. [ 3] The principle is named after French chemist Henry Louis Le Chatelier ...
Energy profile (chemistry) In theoretical chemistry, an energy profile is a theoretical representation of a chemical reaction or process as a single energetic pathway as the reactants are transformed into products. This pathway runs along the reaction coordinate, which is a parametric curve that follows the pathway of the reaction and indicates ...
A thermochemical equation is a balanced stoichiometric chemical equation that represents the energy changes from a system to its surroundings. One such equation involves the enthalpy change, which is denoted with ΔH. In variable form, a thermochemical equation would appear similar to the following: A + B → C. ΔH = (±) #.
In chemical kinetics, the overall rate of a reaction is often approximately determined by the slowest step, known as the rate-determining step ( RDS or RD-step [1] or r/d step [2] [3]) or rate-limiting step. For a given reaction mechanism, the prediction of the corresponding rate equation (for comparison with the experimental rate law) is often ...