Authors Roese, SN; Margulis, GV; Schmidt, AJ; Uzat, CB; Heintz, JD; Paluch, AS in AMER CHEMICAL SOC published article about LIMITING ACTIVITY-COEFFICIENTS; DILUTION ACTIVITY-COEFFICIENTS; MOLECULAR SIMULATION; BOILING-POINT; MODEL; SOLUBILITY; VOLATILE in [Roese, Sydnee N.; Margulis, Griffin V.; Uzat, Cole B.; Heintz, Justin D.; Paluch, Andrew S.] Miami Univ, Dept Chem Paper & Biomed Engn, Oxford, OH 45056 USA; [Schmidt, Alexa J.] Yale Univ, Dept Chem & Environm Engn, New Haven, CT 06520 USA in 2019, Cited 59. Formula: C7H8O. The Name is Benzyl Alcohol. Through research, I have a further understanding and discovery of 100-51-6
Simple expressions are presented to determine if a binary system will exhibit a minimum or maximum boiling azeotrope using conventional free energy calculations using molecular simulation or electronic structure calculations in a continuum solvent. The expressions compare the solvation free energy of each component at infinite dilution relative to itself, requiring four total solvation free energy calculations per binary system. The solvation free energies can be related to intermolecular interactions and, therefore, shed insight into why an azeotrope occurs. The application of the expressions is demonstrated for 2366 binary systems using solvation free energies computed using electronic structure calculations in the SM12, SM8, and SMD universal solvent models. The overall success rate for predicting the correct phase behavior was 0.718, 0.711, and 0.685 for SM12, SM8, and SMD, respectively.
About Benzyl Alcohol, If you have any questions, you can contact Roese, SN; Margulis, GV; Schmidt, AJ; Uzat, CB; Heintz, JD; Paluch, AS or concate me.. Formula: C7H8O
Reference:
Indole alkaloid derivatives as building blocks of natural products from Bacillus thuringiensis and Bacillus velezensis and their antibacterial and antifungal activity study,
,Preparation of Indole Containing Building Blocks for the Regiospecific Construction of Indole Appended Pyrazoles and Pyrroles