caa a22 4500 46912637X CHVBK 20180323133151.0 cr unu---uuuuu 170328e19920701xx s 000 0 eng 10.1007/BF02705130 doi (NATIONALLICENCE)springer-10.1007/BF02705130 A long-ranged electrostatic interaction in computer simulations [Elektronische Daten] [Soong-Hyuck Suh, Kiryong Ha, Jong-Shik Kim, Chan-Young Park, Nam Heo] Molecular dynamics simulations for the primitive model systems of 1-1 and 2-2 electrolyte solutions were carried out to investigate the influence of system size and long-ranged potentials. Both the nearest image convention and the Ewald summation method were employed to handle the effective electrostatic interactions. For the thermodynamic and structural properties of such systems, the resulting calculations obtained from both two methods do not show any measurable inaccuracy except for the system of 2-2 electrolytes at M t =6.0. However, the nearest image results indicate lower self-diffusion coefficients compared with those given by the Ewald method. In this case, the time-dependent dynamic properties are shown to be sensitive to the treatment of long-ranged Coulombic interactions. Korean Institute of Chemical Engineering, 1992 Suh Soong-Hyuck Department of Chemical Engineering, Keimyung University, 704-701, Taegu, Korea aut Ha Kiryong Department of Chemical Engineering, Keimyung University, 704-701, Taegu, Korea aut Kim Jong-Shik Department of Chemical Engineering, Keimyung University, 704-701, Taegu, Korea aut Park Chan-Young Department of Chemical Engineering, Keimyung University, 704-701, Taegu, Korea aut Heo Nam Department of Chemical Engineering, Keimyung University, 704-701, Taegu, Korea aut Korean Journal of Chemical Engineering Springer-Verlag 9/3(1992-07-01), 135-143 0256-1115 9:3<135 1992 9 11814 https://doi.org/10.1007/BF02705130 text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/BF02705130 text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- Suh Soong-Hyuck Department of Chemical Engineering, Keimyung University, 704-701, Taegu, Korea aut NATIONALLICENCE 700 1- Ha Kiryong Department of Chemical Engineering, Keimyung University, 704-701, Taegu, Korea aut NATIONALLICENCE 700 1- Kim Jong-Shik Department of Chemical Engineering, Keimyung University, 704-701, Taegu, Korea aut NATIONALLICENCE 700 1- Park Chan-Young Department of Chemical Engineering, Keimyung University, 704-701, Taegu, Korea aut NATIONALLICENCE 700 1- Heo Nam Department of Chemical Engineering, Keimyung University, 704-701, Taegu, Korea aut NATIONALLICENCE 773 0- Korean Journal of Chemical Engineering Springer-Verlag 9/3(1992-07-01), 135-143 0256-1115 9:3<135 1992 9 11814 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer