Počet záznamů: 1
Partition coefficients of organics between water and carbon dioxide revisited: Correlation with solute molecular descriptors and solvent cohesive properties
- 1.
SYSNO ASEP 0464570 Druh ASEP J - Článek v odborném periodiku Zařazení RIV J - Článek v odborném periodiku Poddruh J Článek ve WOS Název Partition coefficients of organics between water and carbon dioxide revisited: Correlation with solute molecular descriptors and solvent cohesive properties Tvůrce(i) Roth, Michal (UIACH-O) RID, ORCID Celkový počet autorů 1 Zdroj.dok. Environmental Science and Technology - ISSN 0013-936X
Roč. 50, č. 23 (2016), s. 12857-12863Poč.str. 7 s. Forma vydání Tištěná - P Jazyk dok. eng - angličtina Země vyd. US - Spojené státy americké Klíč. slova partitioning between water and supercritical CO2 ; organic solutes ; K-factor modeling ; linear solvation energy relationship Vědní obor RIV CB - Analytická chemie, separace CEP GA16-03749S GA ČR - Grantová agentura ČR Institucionální podpora UIACH-O - RVO:68081715 UT WOS 000389557100038 EID SCOPUS 85021857897 DOI 10.1021/acs.est.6b03210 Anotace High-pressure phase behavior of systems containing water, carbon dioxide and organics has been important in several environment- and energy-related fields including carbon capture and storage, CO2 sequestration and CO2-assisted enhanced oil recovery. Here, partition coefficients (K-factors) of organic solutes between water and supercritical carbon dioxide have been correlated with extended linear solvation energy relationships (LSERs). In addition to the Abraham molecular descriptors of the solutes, the explanatory variables also include the logarithm of solute vapor pressure, the solubility parameters of carbon dioxide and water, and the internal pressure of water. This is the first attempt to include also the properties of water as explanatory variables in LSER correlations of K-factor data in CO2–water–organic systems. Increasing values of the solute hydrogen bond acidity, the solute hydrogen bond basicity, the solute dipolarity/polarizability, the internal pressure of water and the solubility parameter of water all tend to reduce the K-factor, that is, to favor the solute partitioning to the water-rich phase. On the contrary, increasing values of the solute characteristic volume, the solute vapor pressure and the solubility parameter of CO2 tend to raise the K-factor, that is, to favor the solute partitioning to the CO2-rich phase. Pracoviště Ústav analytické chemie Kontakt Iveta Drobníková, drobnikova@iach.cz, Tel.: 532 290 234 Rok sběru 2017
Počet záznamů: 1