TY - JOUR
T1 - Modeling aqueous multivalent polyelectrolytes systems with polyelectrolyte NRTL model
AU - Li, Yuan
AU - Yu, Yue
AU - Chen, Chau Chyun
N1 - Funding Information:
Funding support is provided by the U. S. Department of Energy under the grant DE-EE0007888. The authors gratefully acknowledge the financial support of the Jack Maddox Distinguished Engineering Chair Professorship in Sustainable Energy sponsored by the J.F Maddox Foundation. This report was prepared as an account of work sponsored by an agency of the United States Government. Neither the United States Government nor any agency thereof, nor any of their employees, makes any warranty, express or implied, or assumes any legal liability or responsibility for the accuracy, completeness, or usefulness of any information, apparatus, product, or process disclosed, or represents that its use would not infringe privately owned rights. Reference herein to any specific commercial product, process, or service by trade name, trademark, manufacturer, or otherwise does not necessarily constitute or imply its endorsement, recommendation, or favoring by the United States Government or any agency thereof. The views and opinions of authors expressed herein do not necessarily state or reflect those of the United States Government or any agency thereof.
Funding Information:
Funding support is provided by the U. S. Department of Energy under the grant DE-EE0007888. The authors gratefully acknowledge the financial support of the Jack Maddox Distinguished Engineering Chair Professorship in Sustainable Energy sponsored by the J.F Maddox Foundation.
Publisher Copyright:
© 2021 Elsevier B.V.
PY - 2021/8/15
Y1 - 2021/8/15
N2 - Thermodynamic modeling of aqueous polyelectrolyte systems is of great interest in many industrial applications and biological systems. Recently a Polyelectrolyte Nonrandom Two-Liquid activity coefficient model was proposed for aqueous monovalent polyelectrolyte systems. Integrating Manning's counterion condensation theory, Pitzer-Debye-Hückel theory, and electrolyte Nonrandom Two-Liquid theory, the model accounts for the solution nonideality derived from long-range electrostatic polyion-ion and ion-ion interactions as well as short-range van der Waals molecule–molecule, molecule-ion, and ion-ion interactions. This work extends the model for aqueous multivalent polyelectrolyte systems and shows satisfactory agreement between the model results and the available literature data on thermodynamic properties of varieties of multivalent polyelectrolyte systems.
AB - Thermodynamic modeling of aqueous polyelectrolyte systems is of great interest in many industrial applications and biological systems. Recently a Polyelectrolyte Nonrandom Two-Liquid activity coefficient model was proposed for aqueous monovalent polyelectrolyte systems. Integrating Manning's counterion condensation theory, Pitzer-Debye-Hückel theory, and electrolyte Nonrandom Two-Liquid theory, the model accounts for the solution nonideality derived from long-range electrostatic polyion-ion and ion-ion interactions as well as short-range van der Waals molecule–molecule, molecule-ion, and ion-ion interactions. This work extends the model for aqueous multivalent polyelectrolyte systems and shows satisfactory agreement between the model results and the available literature data on thermodynamic properties of varieties of multivalent polyelectrolyte systems.
KW - Aqueous multivalent polyelectrolyte systems
KW - Aqueous polyelectrolyte systems
KW - Manning's limiting law
KW - Polyelectrolyte Nonrandom Two-Liquid model
UR - http://www.scopus.com/inward/record.url?scp=85105329818&partnerID=8YFLogxK
U2 - 10.1016/j.molliq.2021.116237
DO - 10.1016/j.molliq.2021.116237
M3 - Article
AN - SCOPUS:85105329818
VL - 336
JO - Journal of Molecular Liquids
JF - Journal of Molecular Liquids
SN - 0167-7322
M1 - 116237
ER -