Journal of Chemical Engineering & Process Technology
Open Access
ISSN: 2157-7048
ISSN: 2157-7048
Juan C de la Fuente, Adolfo L Cabrera, Flavia C Zacconi and Jose M del Valle
Federico Santa Maria Technical University, Chile
Pontifical Catholic University of Chile, Chile
Posters & Accepted Abstracts: J Chem Eng Process Technol
The yellow organic solid naphthalene-1,4-dione (1,4-naphtoquinone) is the central chemical structure of natural and synthetized derivatives that present beneficial biological activity for the human health, e.g., 1,4-naphtoquinone pharmacophore is known to impart anticancer activity in drugs like streptonigrin, actinomycins, mitomycins, etc. The study related to the biological and other valuable effects of derivatives from naphthalene-1,4-dione requires their chemical synthesis and their recovery and/or purification. Carbon dioxide (CO2) at supercritical conditions, i.e., above its critical temperature (Tc=304.1 K) and critical pressure (pc=7.38 MPa) (SC-CO2), could be a selective inert solvent, useful to isolate a high-purity derivative while avoiding its thermal damage, and easily removed by decompression to obtain the derivative completely free of solvent. The development and scale-up of a process using SC-CO2 as solvent to recover derivatives needs experimental data and models for the physicochemical properties, particularly the solubility (mole fraction) of the derivative in SC-CO2, which is the most relevant thermodynamic constraint. The objective of this work is to summarize and model experimental solubility data of 1,4-naphthoquinone derivatives in SC-CO2 measured by our research team with a novel semi-empirical model, based on the equation of Chrastil, that incorporates molecular connectivity indices to correlate and predict the solubility for a family of compounds in a single equation with SC-CO2 density and five indices calculated from solute structure. Our results indicate that the solubility of 1,4-naphthoquinone and eight derivatives can be correlated within one order of magnitude (root mean square deviation�?�44%).
Juan C de la Fuente has completed his PhD in the Chemical Engineering Pilot Plant (PLAPIQUI) from Universidad Nacional del Sur (Bahia Blanca, Argentina) and Postdoctoral Studies at the Technical University of Delt, Netherlands. He is In-Charge of the Laboratory of Process Thermodynamics at the Federico Santa María Technical University, Chile. He has published more than 50 papers in reputed journals related to experimental and modeling of high-pressure phase equilibria.
E-mail: juan.delafuente@usm.cl