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  2. Limiting reagent - Wikipedia

    en.wikipedia.org/wiki/Limiting_reagent

    The limiting reagent (or limiting reactant or limiting agent) in a chemical reaction is a reactant that is totally consumed when the chemical reaction is completed. [ 1 ] [ 2 ] The amount of product formed is limited by this reagent, since the reaction cannot continue without it.

  3. Stoichiometry - Wikipedia

    en.wikipedia.org/wiki/Stoichiometry

    To find the limiting reagent and the mass of HCl produced by the reaction, we change the above amounts by a factor of 90/324.41 and obtain the following amounts: 90.00 g FeCl 3, 28.37 g H 2 S, 57.67 g Fe 2 S 3, 60.69 g HCl. The limiting reactant (or reagent) is FeCl 3, since all 90.00 g of it is used up while only 28.37 g H 2 S are consumed.

  4. Yield (chemistry) - Wikipedia

    en.wikipedia.org/wiki/Yield_(chemistry)

    The limiting reagent determines the theoretical yield—the relative quantity of moles of reactants and the product formed in a chemical reaction. Other reactants are said to be present in excess. The actual yield—the quantity physically obtained from a chemical reaction conducted in a laboratory—is often less than the theoretical yield. [ 8 ]

  5. Rate-determining step - Wikipedia

    en.wikipedia.org/wiki/Rate-determining_step

    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.

  6. Conversion (chemistry) - Wikipedia

    en.wikipedia.org/wiki/Conversion_(chemistry)

    Conversion and its related terms yield and selectivity are important terms in chemical reaction engineering.They are described as ratios of how much of a reactant has reacted (X — conversion, normally between zero and one), how much of a desired product was formed (Y — yield, normally also between zero and one) and how much desired product was formed in ratio to the undesired product(s) (S ...

  7. Diffusion-controlled reaction - Wikipedia

    en.wikipedia.org/wiki/Diffusion-controlled_reaction

    A reaction is considered to occur if molecules A and B touch, that is, when the distance between the two molecules is apart. If we assume a local steady state, then the rate at which B reaches R A B {\displaystyle R_{AB}} is the limiting factor and balances the reaction.

  8. Comparison of software for molecular mechanics modeling

    en.wikipedia.org/wiki/Comparison_of_software_for...

    Proprietary, commercial or gratis fold.it download page Archived 2011-04-04 at the Wayback Machine: FoldX: I Yes Yes No No No No No No Energy calculations, protein design Proprietary, commercial or gratis CRG: GROMACS: No No Yes Yes No [2] Yes I Yes [3] Yes High performance MD Free open source GNU GPL: gromacs.org: GROMOS: No No Yes Yes Yes Yes ...

  9. Extent of reaction - Wikipedia

    en.wikipedia.org/wiki/Extent_of_reaction

    where denotes the number of moles of the reactant or product and is the stoichiometric number [4] of the reactant or product. Although less common, we see from this expression that since the stoichiometric number can either be considered to be dimensionless or to have units of moles, conversely the extent of reaction can either be considered to ...

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