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  2. Van 't Hoff equation - Wikipedia

    en.wikipedia.org/wiki/Van_'t_Hoff_equation

    The Van 't Hoff equation relates the change in the equilibrium constant, K eq, of a chemical reaction to the change in temperature, T, given the standard enthalpy change, Δ r H ⊖, for the process. The subscript r {\displaystyle r} means "reaction" and the superscript ⊖ {\displaystyle \ominus } means "standard".

  3. Equilibrium chemistry - Wikipedia

    en.wikipedia.org/wiki/Equilibrium_chemistry

    In this sense a system in chemical equilibrium is in a stable state. The system at chemical equilibrium will be at a constant temperature, pressure or volume and a composition. It will be insulated from exchange of heat with the surroundings, that is, it is a closed system. A change of temperature, pressure (or volume) constitutes an external ...

  4. Aqion - Wikipedia

    en.wikipedia.org/wiki/Aqion

    Aqion is a hydrochemistry software tool. It bridges the gap between scientific software (such like PhreeqC [1]) and the calculation/handling of "simple" water-related tasks in daily routine practice. The software aqion is free for private users, education and companies.

  5. Quantum ESPRESSO - Wikipedia

    en.wikipedia.org/wiki/Quantum_ESPRESSO

    Quantum ESPRESSO (Quantum Open-Source Package for Research in Electronic Structure, Simulation, and Optimization; QE) [2] [3] is a suite for first-principles electronic-structure calculations and materials modeling, distributed for free and as free software under the GNU General Public License.

  6. Arrhenius equation - Wikipedia

    en.wikipedia.org/wiki/Arrhenius_equation

    In physical chemistry, the Arrhenius equation is a formula for the temperature dependence of reaction rates.The equation was proposed by Svante Arrhenius in 1889, based on the work of Dutch chemist Jacobus Henricus van 't Hoff who had noted in 1884 that the van 't Hoff equation for the temperature dependence of equilibrium constants suggests such a formula for the rates of both forward and ...

  7. Chemical equilibrium - Wikipedia

    en.wikipedia.org/wiki/Chemical_equilibrium

    The concept of chemical equilibrium was developed in 1803, after Berthollet found that some chemical reactions are reversible. [4] For any reaction mixture to exist at equilibrium, the rates of the forward and backward (reverse) reactions must be equal. In the following chemical equation, arrows point both ways to indicate equilibrium. [5]

  8. Determination of equilibrium constants - Wikipedia

    en.wikipedia.org/wiki/Determination_of...

    The equilibrium expression above is a function of the concentrations [A], [B] etc. of the chemical species in equilibrium. The equilibrium constant value can be determined if any one of these concentrations can be measured.

  9. Free-energy relationship - Wikipedia

    en.wikipedia.org/wiki/Free-energy_relationship

    The Hammett equation predicts the equilibrium constant or reaction rate of a reaction from a substituent constant and a reaction type constant. The Edwards equation relates the nucleophilic power to polarisability and basicity. The Marcus equation is an example of a quadratic free-energy relationship (QFER). [citation needed]