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Catalysis as Phenomenon Catalysis and Chemical Engineering / L1 Part 2 Outline Catalysis and Chemical Engineering / L1 Part 1. Catalysis as phenomenon, subject of basic research and basis of industrial processes. Historical survey – people, discoveries, ideas. Chemical bases of catalysis; catalysis as kinetic phenomenon. Part 2. Chemical kinetics as a doctrine of chemical process. Reactivity. Chemical reaction and chemical process; reaction system. Phenomenological and formal kinetics. Catalysis as Phenomenon Catalysis and Chemical Engineering / L1 Chemical Kinetics Chemical Kinetics Catalysis and Chemical Engineering / L1 CHEMISTRY substances and their transformations Chemical Kinetics Catalysis and Chemical Engineering / L1 CHEMISTRY: substances and their transformations Substances: structure and chemical properties (≡ transformations!!!) Transformations: - direction; - time & space (i.e. environment); - rate Transformation vs. Reaction - ??? Reactions and Molecules: chemical reaction ≡ transformation of molecules i.e. microscopic level Chemical Kinetics Catalysis and Chemical Engineering / L1 Example. Diesel engine cylinder at work Chemical Kinetics Catalysis and Chemical Engineering / L1 Example. Diesel engine cylinder at work Chemical Kinetics Catalysis and Chemical Engineering / L1 CHEMISTRY: substances and their transformations Substances: structure and chemical properties (≡ transformations!!!) Transformations: - direction; - time & space (i.e. environment); - rate Transformation vs. Reaction - ??? Reactions and Molecules: chemical reaction ≡ transformation of molecules i.e. microscopic level – insufficient !!! Chemical Kinetics Catalysis and Chemical Engineering / L1 Chemical process – chemical reaction (i.e. transformation of molecules) considered in the aggregate with accompanying physical effects and in specific (particular) spatiotemporal circumstances (conditions) Transformations: - direction; - time & space (i.e. environment); - rate INTERRELATED !!! Chemical Kinetics Catalysis and Chemical Engineering / L1 Chemical Kinetics – the doctrine of the Chemical Processes, their mechanisms and development in time and space Chemical Kinetics Catalysis and Chemical Engineering / L1 Chemical Kinetics as science discipline: - subject and objectives Chemical Processes, their mechanisms and development in time and space: what? where? when? how? why? - applications what for? Chemical Kinetics Catalysis and Chemical Engineering / L1 Chemical Kinetics as science discipline: - sections / branches what? where? when? - phenomenological and formal kinetics; - macrokinetics (heat/mass transfer theory) how? why? - theory (dynamics) of elementary reactions what for? - chemical synthesis & analysis; - chemical engineering; - chemical prognostication; - environmental chemistry; - catalysis; …. Chemical Kinetics Catalysis and Chemical Engineering / L1 Chemical Kinetics as science discipline: - methods math. analysis, linear algebra molecular physics, molecular statistics, kinetic theory of gases, quantum chemistry, solution theory ⇒ phenomenology and formal kinetics ⇓ ⇒ theory (dynamics) of elementary reactions ⇓ theory of heat and mass transfer; thermal physics ⇒ macrokinetics Chemical Kinetics Catalysis and Chemical Engineering / L1 Chemical Kinetics as science discipline: - applications theory and practice – general chemistry (inorganic, organic, analytical, …); applied chemistry (technical, industrial); materials science; petroleum and gas chemistry; …. catalysis chemical engineering Chemical Kinetics Catalysis and Chemical Engineering / L1 CHEMISTRY substances and their transformations Substances: structure and chemical properties (≡ transformations!!!) ⇓ reactivity the ability of the given substance to undergo certain transformation(s) in particular conditions Chemical Kinetics Catalysis and Chemical Engineering / L1 CHEMISTRY substances and their transformations Substances: structure and chemical properties (≡ transformations!!!) ⇓ reactivity the ability of the given substance to undergo certain transformation(s) in particular conditions Catalysis as Phenomenon Catalysis and Chemical Engineering / L1 Reactivity Reactivity Reactivity – Catalysis and Chemical Engineering / L1 the ability of the given substance to undergo certain transformation(s) in the particular conditions ⇒ qualitative & quantitative characteristic Reactivity Catalysis and Chemical Engineering / L1 Reactivity – the ability of the given substance to undergo certain transformation(s) in the particular conditions ⇒ qualitative & quantitative characteristic Example. Reactivity: HCl vs. H2O2 Transformation type HCl H2O2 acide-base (in water solution) +++ + --- +++ red-ox (with organic compounds) red-ox (with metals) + (H2, хлориды) ++ (оксиды, …) Reactivity Reactivity – Catalysis and Chemical Engineering / L1 the ability of the given substance to undergo certain transformation(s) in the particular conditions ⇒ qualitative & quantitative characteristic Example. Esterification of alcohols (Menshutkin reaction) Nikolai Aleksandrovich Menshutkin (1842-1907) Qualitative characteristics: rate and deepness / fullness. Conditions: temperature, solvent & additives, concentrations, mixing, etc. Reactivity Reactivity – Catalysis and Chemical Engineering / L1 the ability of the given substance to undergo certain transformation(s) in the particular conditions ⇒ qualitative & quantitative characteristic Example. Esterification of alcohols (Menshutkin reaction) Description Nikolai Aleksandrovich Menshutkin (1842-1907) Qualitative characteristics: rate and deepness / fullness. Conditions: temperature, solvent & additives, concentrations, mixing, etc.