The Energy Barrier to Recombination in Hydrated Plasma

被引：0
作者：
S. V. Shevkunov
机构：
[1] St. Petersburg State Polytechnic University,
来源：
High Energy Chemistry | 2005年 / 39卷
关键词：
Experimental Data; Entropy; Physical Chemistry; Hydrate; Free Energy;
D O I：
暂无
中图分类号：
学科分类号：
摘要：
An abnormally high potential barrier that separates the H3O+ and Cl− ions in a cluster of water molecules was revealed. The profile of the barrier was calculated by computer simulation. The calculation was based on a detailed model of intermolecular interactions developed on the basis of experimental data on the free energy and entropy for the addition reactions of water molecules in the vapor phase to the hydration shell of ions in conjunction with the results of quantum-chemical calculations.
引用
收藏
页码：351 / 355
页数：4
相关论文
共 28 条
[21]   Plasma Treatment of Aluminum Using a Surface Barrier Discharge Operated in Air and Nitrogen: Parameter Optimization and Related Effects [J].
Prysiazhnyi, V. .
PLASMA SCIENCE & TECHNOLOGY, 2013, 15 (08) :794-799
[22]   Parametrization of the molecular free energy surface density (MolFESD) for different solvents and brain-blood barrier partitioning [J].
Mohamed Zerara ;
R Kretschmer ;
Thomas E Exner ;
J Brickmann .
Chemistry Central Journal, 2 (Suppl 1)
[23]   One-Atmosphere Argon Dielectric-Barrier Corona Discharge as an Effective Source of Cold Plasma for the Treatment of Polymer Films and Fabrics [J].
Yu. S. Akishev ;
M. E. Grushin ;
A. E. Monich ;
A. P. Napartovich ;
N. I. Trushkin .
High Energy Chemistry, 2003, 37 :286-291
[24]   Calculation of the Nucleation Barrier and Interfacial Free Energy of New-Phase nuclei by the thermodynamic integration method using molecular dynamics simulation data [J].
A. V. Mokshin ;
B. N. Galimzyanov .
Russian Journal of Physical Chemistry B, 2017, 11 :473-480
[25]   Calculation of the Nucleation Barrier and Interfacial Free Energy of New-Phase Nuclei by the Thermodynamic Integration Method Using Molecular Dynamics Simulation Data [J].
Mokshin, A. V. ;
Galimzyanov, B. N. .
RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B, 2017, 11 (03) :473-480
[26]   Internal rotation barrier of the XH3-H3(X, Y = C or Si) molecules.An energy decomposition analysis study [J].
Chang, Xin ;
Su, Peifeng ;
Wu, Wei .
Chemical Physics Letters, 2014, 610-611 (01) :246-250
[27]   Novel PEEK-WC membranes with low plasma protein affinity related to surface free energy parameters [J].
L. De Bartolo ;
A. Gugliuzza ;
S. Morelli ;
B. Cirillo ;
A. Gordano ;
E. Drioli .
Journal of Materials Science: Materials in Medicine, 2004, 15 :877-883
[28]   On Advantages of Simple Approaches in Chemical Kinetics: A Combination of Temperature and Isothermal Variations in the Viscosity of a Medium as a Method of Measuring a Low Activation Barrier. Relative Activation Energy of Stereochemical Inversion upon Denitrogenation of Bicyclic Azoalkane [J].
A. V. Trofimov .
Doklady Physical Chemistry, 2004, 394 :23-26
123