title: Solvation energies of the proton in ammonia explicitly versus temperature.
abstract: We provide in this work, the absolute solvation enthalpies and the absolute solvation free energies of the proton in ammonia explicitly versus temperature. As a result, the absolute solvation free energy of the proton remains quite constant for temperatures below 200 K. Above this temperature, it increases as a linear function of the temperature: ΔGam(H+,T)=-1265.832+0.210 T. This indicates that a temperature change of 100 K would induce a solvation free energy change of 21 kJ mol-1. Thus, ignoring this free energy change would lead to a bad description of hydrogen bonds and an unacceptable error higher than 3.7 pKaunits. However, the absolute solvation enthalpy of the proton in ammonia is not significantly affected by a temperature change and, the room temperature value is -1217 kJ mol-1. The change of the solvation enthalpy is only within 3 kJ mol-1for a temperature change up to 200 K.
authors.affiliation: Department of Physics, Faculty of Science, The University of Ngaoundere, 454 Ngaoundere, Cameroon.
authors.forename: Alhadji
authors.identifier: 0000000230133029
authors.initials: A
authors.lastname: Malloum
authors.affiliation: Department of Physics, Faculty of Science, The University of Ngaoundere, 454 Ngaoundere, Cameroon.
authors.forename: Jean Jules
authors.identifier: 0000000333383469
authors.initials: JJ
authors.lastname: Fifen
authors.affiliation: Laboratoire de Spectroscopie Atomique et Moléculaire, Faculté des Sciences, Université de Tunis El Manar, Campus Universitaire, 1060 Tunis, Tunisia.
authors.forename: Zoubeida
authors.initials: Z
authors.lastname: Dhaouadi
authors.affiliation: Department of Physics, Faculty of Science, The University of Ngaoundere, 454 Ngaoundere, Cameroon.
authors.forename: Serge Guy Nana
authors.initials: SG
authors.lastname: Engo
authors.affiliation: Laboratoire de Spectroscopie Atomique et Moléculaire, Faculté des Sciences, Université de Tunis El Manar, Campus Universitaire, 1060 Tunis, Tunisia.
authors.forename: Nejm-Eddine
authors.initials: NE
authors.lastname: Jaidane