H2O + C2H2 = CH3COH

H_2O water + C_2H_2 acetylene ⟶ CH_3CHO acetaldehyde

Balance the chemical equation algebraically: H_2O + C_2H_2 ⟶ CH_3CHO Add stoichiometric coefficients, c_i, to the reactants and products: c_1 H_2O + c_2 C_2H_2 ⟶ c_3 CH_3CHO Set the number of atoms in the reactants equal to the number of atoms in the products for H, O and C: H: | 2 c_1 + 2 c_2 = 4 c_3 O: | c_1 = c_3 C: | 2 c_2 = 2 c_3 Since the coefficients are relative quantities and underdetermined, choose a coefficient to set arbitrarily. To keep the coefficients small, the arbitrary value is ordinarily one. For instance, set c_1 = 1 and solve the system of equations for the remaining coefficients: c_1 = 1 c_2 = 1 c_3 = 1 Substitute the coefficients into the chemical reaction to obtain the balanced equation: Answer: | | H_2O + C_2H_2 ⟶ CH_3CHO

+ ⟶

water + acetylene ⟶ acetaldehyde

| water | acetylene | acetaldehyde molecular enthalpy | -285.8 kJ/mol | 227.4 kJ/mol | -166.2 kJ/mol total enthalpy | -285.8 kJ/mol | 227.4 kJ/mol | -166.2 kJ/mol | H_initial = -58.43 kJ/mol | | H_final = -166.2 kJ/mol ΔH_rxn^0 | -166.2 kJ/mol - -58.43 kJ/mol = -107.8 kJ/mol (exothermic) | |

| water | acetylene | acetaldehyde molecular free energy | -237.1 kJ/mol | 209.9 kJ/mol | -129 kJ/mol total free energy | -237.1 kJ/mol | 209.9 kJ/mol | -129 kJ/mol | G_initial = -27.2 kJ/mol | | G_final = -129 kJ/mol ΔG_rxn^0 | -129 kJ/mol - -27.2 kJ/mol = -101.8 kJ/mol (exergonic) | |

| water | acetylene | acetaldehyde molecular entropy | 69.91 J/(mol K) | 201 J/(mol K) | 250 J/(mol K) total entropy | 69.91 J/(mol K) | 201 J/(mol K) | 250 J/(mol K) | S_initial = 270.9 J/(mol K) | | S_final = 250 J/(mol K) ΔS_rxn^0 | 250 J/(mol K) - 270.9 J/(mol K) = -20.91 J/(mol K) (exoentropic) | |

Construct the equilibrium constant, K, expression for: H_2O + C_2H_2 ⟶ CH_3CHO Plan: • Balance the chemical equation. • Determine the stoichiometric numbers. • Assemble the activity expression for each chemical species. • Use the activity expressions to build the equilibrium constant expression. Write the balanced chemical equation: H_2O + C_2H_2 ⟶ CH_3CHO Assign stoichiometric numbers, ν_i, using the stoichiometric coefficients, c_i, from the balanced chemical equation in the following manner: ν_i = -c_i for reactants and ν_i = c_i for products: chemical species | c_i | ν_i H_2O | 1 | -1 C_2H_2 | 1 | -1 CH_3CHO | 1 | 1 Assemble the activity expressions accounting for the state of matter and ν_i: chemical species | c_i | ν_i | activity expression H_2O | 1 | -1 | ([H2O])^(-1) C_2H_2 | 1 | -1 | ([C2H2])^(-1) CH_3CHO | 1 | 1 | [CH3CHO] The equilibrium constant symbol in the concentration basis is: K_c Mulitply the activity expressions to arrive at the K_c expression: Answer: | | K_c = ([H2O])^(-1) ([C2H2])^(-1) [CH3CHO] = ([CH3CHO])/([H2O] [C2H2])

Construct the rate of reaction expression for: H_2O + C_2H_2 ⟶ CH_3CHO Plan: • Balance the chemical equation. • Determine the stoichiometric numbers. • Assemble the rate term for each chemical species. • Write the rate of reaction expression. Write the balanced chemical equation: H_2O + C_2H_2 ⟶ CH_3CHO Assign stoichiometric numbers, ν_i, using the stoichiometric coefficients, c_i, from the balanced chemical equation in the following manner: ν_i = -c_i for reactants and ν_i = c_i for products: chemical species | c_i | ν_i H_2O | 1 | -1 C_2H_2 | 1 | -1 CH_3CHO | 1 | 1 The rate term for each chemical species, B_i, is 1/ν_i(Δ[B_i])/(Δt) where [B_i] is the amount concentration and t is time: chemical species | c_i | ν_i | rate term H_2O | 1 | -1 | -(Δ[H2O])/(Δt) C_2H_2 | 1 | -1 | -(Δ[C2H2])/(Δt) CH_3CHO | 1 | 1 | (Δ[CH3CHO])/(Δt) (for infinitesimal rate of change, replace Δ with d) Set the rate terms equal to each other to arrive at the rate expression: Answer: | | rate = -(Δ[H2O])/(Δt) = -(Δ[C2H2])/(Δt) = (Δ[CH3CHO])/(Δt) (assuming constant volume and no accumulation of intermediates or side products)

| water | acetylene | acetaldehyde formula | H_2O | C_2H_2 | CH_3CHO Hill formula | H_2O | C_2H_2 | C_2H_4O name | water | acetylene | acetaldehyde