18 research outputs found
Conductance of electrolytes in 1-propanol solutions from â40 to 25°C
Conductance data for solutions of LiCl, NaBr, NaI, KI, KSCN, RbI, Et4NI, Pr4NI, Bu4NI, Bu4NClO4, n-Am4NI, i-Am4NI, n-Hept4NI, Me2Bu2NI, MeBu3NI, EtBu3NI, i-Am3BuNI, and i-Am3BuNBPh4 in 1-propanol at â40, â30, â20, â10, 0, 10, and 25°C are communicated and discussed. Evaluation of the data is performed on the basis of a conductance equation that includes a term in c3/2. Single ion conductances at 25 and 10°C are determined with the help of transference numbers t o + (KSCN/PrOH); the data are compared to data estimated by other methods. Ion-pair association constants and their temperature dependence are discussed in terms of contact and solvent separated ion pairs, and the role of non-coulombic forces is shown with the help of an appropriate splitting of the Gibbs energy of ion-pair formation
Untersuchungen zum Substituenten- und Lösungsmitteleinfluà auf Solvolysereaktionen II. Der Einfluà polarer e-Substituenten auf die Geschwindigkeit der alkalischen Hydrolyse von heterocyclischen Amiden in Wasser bei verschiedenen Temperaturen (= STUDIES FOR INFLUENCE OF SUBSTITUENTS AND SOLVENTS ON SOLVOLYSIS REACTIONS .2. INFLUENCE OF POLAR ALPHA-SUBSTITUENTS ON RATE OF ALKALINE HYDROLYSIS OF HETEROCYCLIC AMIDES IN WATER AT VARIOUS TEMPERATURES)
Untersuchungen zum Substituenten-und Lösungsmitteleinfluà auf Solvolysereaktionen. V. Die neutrale Hydrolyse polar substituierter Essigsaureethylester im Vergleich mit basischer und saurer Hydrolyse (= INVESTIGATIONS INTO THE INFLUENCE OF SUBSTITUENTS AND SOLVENTS ON SOLVOLYSIS REACTIONS .5. NEUTRAL HYDROLYSIS OF POLAR SUBSTITUTED ACETIC-ACID ESTERS IN COMPARISON TO ALKALINE AND ACIDIC HYDROLYSIS)
Die Ănderung der freien Aktivierungsnethalpie von SN2-Reaktionen unter dem EinfluĂ von inter- und intramolekularen Wechselwirkungen
Der Einfluss der Umgebung des Reaktionszentrums auf Hydrolysereaktionen der Ester und Amide aliphatischer CarbonsÀuren
Untersuchungen zum Substituenten- und Lösungsmitteleinfluà auf Solvolysereaktionen I. Der Einfluà polarer «-Substituenten auf die Geschwindigkeit der alkalischen Esterhydrolyse in Wasser bei verschiedenen Temperaturen (= SUBSTITUENT AND SOLVENT EFFECT ON SOLVOLYSIS REACTIONS. 1. EFFECT OF POLAR ALPHA-SUBSTITUENTS ON RATE OF ALKALINE ESTER HYDROLYSIS IN WATER AT DIFFERENT TEMPERATURES
Stoffdaten binÀrer nichtwÀssriger Elektrolytlösungen : ein lokales Mikrocomputerverbundsystem zur Bereitstellung von Literatur und Stoffdaten ; Contract NTS-2036 ; F-91-J
Thermodynamic properties of water from combined quantum and statistical mechanics in the temperature range from 273.16 to 423.15 K
A combined integral equation and quantum mechanical method, the so-called RISMâSCF method, is used to develop a self consistent effective potential model to describe pure liquid water in accordance with thermodynamic properties like chemical potential or entropy over a wide range of temperature and pressure. Since the thermodynamic excess properties calculated with the SSOZ equation are extremely charge dependent using constant LennardâJones parameters, we first developed a new function of the LennardâJones parameters of water depending on the partial charges taking into account the charge dependent polarisation which is reflected mainly by the attracting term of the LennardâJones potential. We used experimental data of thermodynamic excess functions at three selected temperatures in order to adjust the potential parameters reproducing these thermodynamic functions with an error smaller than 3%. Using this charge dependence of the LennardâJones parameters we applied the RISMâSCF method to calculate thermodynamic properties of pure liquid water, especially its vapor pressure, in a temperature range from 273.16 to 423.15 K and a pressure range from 0.5 to 500 kPa. Our calculated values of the vapor pressure agree well with the experimental data, as do our values of chemical potential and entropy as function of temperature