000078719 001__ 78719
000078719 005__ 20200113145616.0
000078719 0247_ $$2doi$$a10.1016/j.jct.2018.03.021
000078719 0248_ $$2sideral$$a105277
000078719 037__ $$aART-2018-105277
000078719 041__ $$aeng
000078719 100__ $$0(orcid)0000-0001-6182-2196$$aMartínez-López, J.F.$$uUniversidad de Zaragoza
000078719 245__ $$aThermophysical and volumetric study of mixtures {p-cymene¿+¿propan-1-ol} at several temperatures and atmospheric pressure. Modeling with COSMO-RS
000078719 260__ $$c2018
000078719 5060_ $$aAccess copy available to the general public$$fUnrestricted
000078719 5203_ $$aExperimental isobaric molar heat capacities at atmospheric pressure have been determined for the mixture {p-cymene + propan-1-ol} every 10 K in the temperature interval (298.8–328.5) K and over the entire composition range with a Calvet type calorimeter. Densities, necessary for calculating heat capacities, have been also measured in similar conditions. Excess molar volumes have been calculated from densities. They are positive at (318.15 and 328.15) K and sigmoidal at (298.15 and 308.15) K with negative values in the zone very rich in propan-1-ol. Excess molar heat capacities have been calculated from the molar heat capacities and show positive values. Both excess molar properties increase as the temperature rises at a given molar fraction. Excess properties are discussed in terms of intermolecular interactions. The solvation model COSMO-RS has been applied to predict the excess molar heat capacities, being the quantitative predictions rather poor.
000078719 536__ $$9info:eu-repo/grantAgreement/ES/DGA-FSE/E52$$9info:eu-repo/grantAgreement/ES/MINECO-FEDER/CTQ2015-64049-C3-2-R
000078719 540__ $$9info:eu-repo/semantics/openAccess$$aby-nc-nd$$uhttp://creativecommons.org/licenses/by-nc-nd/3.0/es/
000078719 590__ $$a2.29$$b2018
000078719 591__ $$aTHERMODYNAMICS$$b19 / 60 = 0.317$$c2018$$dQ2$$eT1
000078719 591__ $$aCHEMISTRY, PHYSICAL$$b82 / 148 = 0.554$$c2018$$dQ3$$eT2
000078719 592__ $$a0.803$$b2018
000078719 593__ $$aAtomic and Molecular Physics, and Optics$$c2018$$dQ1
000078719 593__ $$aPhysical and Theoretical Chemistry$$c2018$$dQ1
000078719 593__ $$aMaterials Science (miscellaneous)$$c2018$$dQ1
000078719 655_4 $$ainfo:eu-repo/semantics/article$$vinfo:eu-repo/semantics/acceptedVersion
000078719 700__ $$aPardo, J.I.
000078719 700__ $$aLiu, S.
000078719 700__ $$0(orcid)0000-0001-9379-8047$$aMainar, A.M.$$uUniversidad de Zaragoza
000078719 7102_ $$12012$$2755$$aUniversidad de Zaragoza$$bDpto. Química Física$$cÁrea Química Física
000078719 773__ $$g123 (2018), 1-7$$pJ. Chem. Thermodyn.$$tJournal of Chemical Thermodynamics$$x0021-9614
000078719 8564_ $$s299465$$uhttps://zaguan.unizar.es/record/78719/files/texto_completo.pdf$$yPostprint
000078719 8564_ $$s75619$$uhttps://zaguan.unizar.es/record/78719/files/texto_completo.jpg?subformat=icon$$xicon$$yPostprint
000078719 909CO $$ooai:zaguan.unizar.es:78719$$particulos$$pdriver
000078719 951__ $$a2020-01-13-14:53:26
000078719 980__ $$aARTICLE