TY - JOUR
T1 - Nonrandom two-liquid activity coefficient model for aqueous polyelectrolyte solutions
AU - Yu, Yue
AU - Li, Yuan
AU - Hossain, Nazir
AU - Chen, Chau Chyun
N1 - Funding Information:
The authors gratefully acknowledge the financial support of the Jack Maddox Distinguished Engineering Chaired Professorship in Sustainable Energy sponsored by the J.F Maddox Foundation .
Publisher Copyright:
© 2019 Elsevier B.V.
PY - 2019/10/1
Y1 - 2019/10/1
N2 - A comprehensive thermodynamic model is established to describe the thermodynamic properties of solvent water and mobile ions in aqueous polyelectrolyte solutions. The model accounts for excess Gibbs free energy of aqueous polyelectrolyte solutions with two contributions: (1) the long-range electrostatic polyion-ion interactions treated with Manning's limiting law and the long-range electrostatic ion-ion interactions treated with the Pitzer-Debye-Hückel equation, and (2) the short-range molecule-molecule, molecule-ion and ion-ion interactions treated with the electrolyte nonrandom two-liquid equation. Validated with extensive data sets of osmotic coefficients and mobile ion activity coefficients, the model is capable of systematically correlating and extrapolating thermodynamic properties of aqueous polyelectrolyte solutions.
AB - A comprehensive thermodynamic model is established to describe the thermodynamic properties of solvent water and mobile ions in aqueous polyelectrolyte solutions. The model accounts for excess Gibbs free energy of aqueous polyelectrolyte solutions with two contributions: (1) the long-range electrostatic polyion-ion interactions treated with Manning's limiting law and the long-range electrostatic ion-ion interactions treated with the Pitzer-Debye-Hückel equation, and (2) the short-range molecule-molecule, molecule-ion and ion-ion interactions treated with the electrolyte nonrandom two-liquid equation. Validated with extensive data sets of osmotic coefficients and mobile ion activity coefficients, the model is capable of systematically correlating and extrapolating thermodynamic properties of aqueous polyelectrolyte solutions.
KW - Aqueous polyelectrolyte solutions
KW - Counterion activity coefficients
KW - Electrolyte NRTL activity coefficient model
KW - Manning's condensation theory
KW - Osmotic coefficients
KW - Pitzer-Debye-Hückel equation
UR - http://www.scopus.com/inward/record.url?scp=85066961325&partnerID=8YFLogxK
U2 - 10.1016/j.fluid.2019.05.009
DO - 10.1016/j.fluid.2019.05.009
M3 - Article
AN - SCOPUS:85066961325
SN - 0378-3812
VL - 497
SP - 1
EP - 9
JO - Fluid Phase Equilibria
JF - Fluid Phase Equilibria
ER -