TY - JOUR

T1 - A semi-Empirical equation for activity coefficients of ions with one parameter

AU - Lee, Jai Yeop

AU - Han, Ihnsup

PY - 2013/12/20

Y1 - 2013/12/20

N2 - Based on the Debye-Húckel equation, a semi-empirical equation for activity coefficients was derived through empirical and theoretical trial and error efforts. The obtained equation included two parameters: the proportional factor and the effective radius of an ionic sphere. These parameters were used in the empirical and regression parameter fitting of the calculated values to the experimental results. The activity coefficients calculated from the equation agreed with the data. Transforming to a semi-empirical form, the equation was expressed with one parameter, the ion radius. The ion radius, α, was divided into three parameters, αcation, αanion and δcation, representing parameters for the cation, anion and combination, respectively. The advantage of this equation is the ability to propose a semi-empirical equation that can easily determine the activity coefficient with just one parameter, so the equation is expected to be used more widely in actual industry applications.

AB - Based on the Debye-Húckel equation, a semi-empirical equation for activity coefficients was derived through empirical and theoretical trial and error efforts. The obtained equation included two parameters: the proportional factor and the effective radius of an ionic sphere. These parameters were used in the empirical and regression parameter fitting of the calculated values to the experimental results. The activity coefficients calculated from the equation agreed with the data. Transforming to a semi-empirical form, the equation was expressed with one parameter, the ion radius. The ion radius, α, was divided into three parameters, αcation, αanion and δcation, representing parameters for the cation, anion and combination, respectively. The advantage of this equation is the ability to propose a semi-empirical equation that can easily determine the activity coefficient with just one parameter, so the equation is expected to be used more widely in actual industry applications.

KW - Activity coefficient

KW - Debye-Húckel equation

KW - Semi-empirical equation

UR - http://www.scopus.com/inward/record.url?scp=84891364392&partnerID=8YFLogxK

U2 - 10.5012/bkcs.2013.34.12.3709

DO - 10.5012/bkcs.2013.34.12.3709

M3 - Article

AN - SCOPUS:84891364392

SN - 0253-2964

VL - 34

SP - 3709

EP - 3714

JO - Bulletin of the Korean Chemical Society

JF - Bulletin of the Korean Chemical Society

IS - 12

ER -