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How does the use of different exchange-correlation functionals in density functional theory calculations affect the calculated reaction energies and mechanisms for the catalytic oxidation of methane on transition metal surfaces?

asked Feb 28 in Computational Chemistry by TheScientist (138k points)

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What is the maximum yield of benzocaine that can be obtained from the reaction between p-aminobenzoic acid and ethanol, assuming 100% conversion of the reactants and a starting mass of 5 grams of p-aminobenzoic acid with excess ethanol?

asked Mar 1 in Chemical synthesis by TheScientist (138k points)

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What is the amount of heat generated in the complete combustion of 1 mole of methane gas (CH4) at constant pressure, assuming the standard enthalpy of formation of CH4 is -74.8 kJ/mol and the standard enthalpy of formation of CO2 is -393.5 kJ/mol?

asked Mar 1 in ThermoChemistry by TheScientist (138k points)

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What are the factors that contribute to the difficulty in understanding the periodic table and chemical elements and how can they be addressed to improve students' comprehension?

asked Mar 1 in Chemical education by TheScientist (138k points)

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What is the theoretical yield of 2,4-dinitrobenzoic acid that can be obtained from the reaction between 5 grams of benzoic acid and an excess of nitric acid, assuming a 100% reaction efficiency?

asked Mar 1 in Chemical synthesis by TheScientist (138k points)

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What is the diffusion coefficient of a solute with a molecular weight of 100 g/mol in water at 25°C, when the solute concentration is 0.01 M and the diffusion rate is 1.5 × 10^-5 cm^2/s?

asked Mar 1 in Physical Chemistry by TheScientist (138k points)

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What is the theoretical yield of 2,4-dichloronitrobenzene that can be obtained from reacting 10 grams of nitrobenzene with excess chlorine gas?

asked Mar 1 in Chemical synthesis by TheScientist (138k points)

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What is the yield of benzocaine that can be obtained from the reaction of 10 grams of p-aminobenzoic acid with excess ethanol, assuming a perfect reaction and no loss of product during workup?

asked Mar 1 in Chemical synthesis by TheScientist (138k points)

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What is the exchange current density for a corroding iron electrode in a 0.1 M solution of Fe2+ ions at 25°C, given that the rate constant for the electrode reaction is 1.2 x 10^-9 cm/s and the standard reduction potential for Fe2+/Fe is -0.44 V?

asked Mar 1 in ElectroChemistry by TheScientist (138k points)

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What is the standard enthalpy change for the reaction N2(g) + 3H2(g) → 2NH3(g) at 298 K, given that the standard enthalpy of formation of NH3(g) is -46.1 kJ mol-1?

asked Mar 1 in Chemical thermodynamics by TheScientist (138k points)

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What is the equilibrium constant (Kc) for the reaction between potassium permanganate (KMnO4) and sulfur dioxide (SO2) in aqueous solution, given that sulfur dioxide is a weak reducing agent? Calculate the value of Kc at a temperature of 298 K.

asked Mar 1 in Chemical equilibrium by TheScientist (138k points)

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What are the significant factors that affect carbon footprint, and how can you reduce it to minimize its impact on the environment?

asked Mar 1 in Environmental Chemistry by TheScientist (138k points)

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What is the standard enthalpy change for the neutralization reaction of 50 mL of 2M hydrochloric acid and 50 mL of 2M sodium hydroxide at 25°C?

asked Mar 1 in Chemical thermodynamics by TheScientist (138k points)

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What is the lattice energy of CaF2 if the distance between calcium and fluoride ions in the crystal lattice is 2.40 Å and the charges on calcium and fluoride ions are +2 and -1, respectively?

asked Mar 1 in Inorganic Chemistry by TheScientist (138k points)

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What is the entropy change when 2 moles of water vapor (H2O(g)) condense to liquid water (H2O(l)) at 100°C and 1 atm pressure?

asked Mar 1 in Chemical thermodynamics by TheScientist (138k points)

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What is the heat required to sublimate 55 grams of dry ice (CO2) at -78.5°C and atmospheric pressure? The heat of sublimation of CO2 is 25.2 kJ/mol.

asked Mar 1 in ThermoChemistry by TheScientist (138k points)

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What is the corrosion potential of a stainless steel (SS316) electrode in a 0.1 M sodium chloride (NaCl) solution at 25°C if the pH of the solution is 7.2? The standard reduction potential of SS316 is -0.71 V vs. a standard hydrogen electrode (SHE).

asked Mar 1 in ElectroChemistry by TheScientist (138k points)

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What is the enthalpy change for the combustion of 1 mole of methane (CH4) at constant pressure if the standard enthalpy of formation of methane is -74.8 kJ/mol? Write a balanced equation for the combustion reaction and show your calculations.

asked Mar 1 in ThermoChemistry by TheScientist (138k points)

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What is the formal charge on the nitrogen atom in the compound NO₃⁻? Show your work and explain your reasoning.

asked Mar 1 in Inorganic Chemistry by TheScientist (138k points)

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What are the different polymer characterization techniques used to determine the molecular weight distribution of polymers, and how do these techniques differ in their accuracy and precision?

asked Mar 1 in Polymer Chemistry by TheScientist (138k points)

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