Predictions of Entropy and Gibbs Energy for Carbonyl Sulfide

Abstract

Many chemical and physical equilibrium conditions can be determined from minimizing the Gibbs free energies of the system. Efficient analytical representations of the entropy and Gibbs free energy of carbonyl sulfide remain elusive in the communality of science and engineering. Here, we report two analytical representations of the entropy and Gibbs free energy for carbonyl sulfide, and the prediction procedures only involve six molecular constants of the carbonyl sulfide molecule. In the temperature range from 300 to 6000 K, the average relative deviations of the predicted molar entropy and reduced Gibbs free energy values of carbonyl sulfide from the National Institute of Standards and Technology database are arrived at 0.150 and 0.189%, respectively.

Approximate solution of the time-dependent Kratzer plus screened Coulomb potential in Feinberg-Horodecki equation

“…Nikiforov-Uvarov (NU) [38] method is usually used to reduce the second-order differential equation into a general form of a hypergeometric type. In that sense, any second order differential equation can be transformed, using a suitable coordinate transformation s=s(r), into the form: ψ n (s) + τ (s) σ(s) ψ n (s) + σ(s) σ 2 (s) ψ n (s) = 0, (37)…”

“…However, recently, some authors used the improved Rosen-Morse potential and improved Tietz potential to represent the internal vibrations of diatomic molecules, including NO [28][29][30], N2 [31], and CO [32][33][34], and some triatomic molecules [35][36][37], and successfully predicted the vibrational partition functions and important thermodynamic properties for some pure substances. The rest of this work is organized as follows: the NU method is briefly introduced in Section 2.…”

“…where σ(s) and σ(s) are polynomials, at most second-degree, and τ (s) is a first-degree polynomial. To solve equation (37), the following wave function can be proposed,…”

“…which transforms equation (37) into the following hypergeometric form σ(s)y n (s) + τ (s)y n (s) + λy n (s) = 0,…”

Synthesis of Asymmetric Urea Derivatives from COS and Amines: Substrate Selection, Scope Studies, and Mechanism Investigation

“…Moreover, CO, COS, and CO 2 can undergo interconversion, in which CO can react with sulfur to form COS, while COS can react with water to form CO 2 and H 2 S (Figure ). , Additionally, compared with the CO bond energy of CO 2 (5.453 eV), the CO bond energy (6.81 eV) of COS is higher, while the CS bond energy (3.12 eV) is lower . Therefore, when COS is attacked by a nucleophile, the CS bond is preferentially broken and the carbonyl group is easily transferred to the nucleophile reagent to form carbonyl-containing chemicals under mild conditions.…”