Abstract
In one and two component polar solvents, we calculate the counterion distribution around an ionizable rod treating the degree of ionization α as an annealed variable dependent on its local environment. In the two component case, we take into account the preferential solvation of the charged particles and the short-range interaction between the rod and the solvent. It follows a composition-dependent mass action law. The composition becomes heterogeneous around a charged rod on a mesoscopic scale, strongly affecting the counterion distribution. We predict a first order phase transition of weak-to-strong ionization for hydrophobic chains. This transition line starts from a point on the solvent coexistence curve and ends at an ionization critical point. The composition heterogeneity is long-ranged near the solvent critical point.
| Original language | English |
|---|---|
| Article number | 094905 |
| Journal | Journal of Chemical Physics |
| Volume | 131 |
| Issue number | 9 |
| DOIs | |
| Publication status | Published - Sep 14 2009 |
| Externally published | Yes |
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ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry
Cite this
Ion distribution around a charged rod in one and two component solvents : Preferential solvation and first order ionization phase transition. / Okamoto, Ryuichi; Onuki, Akira.
In: Journal of Chemical Physics, Vol. 131, No. 9, 094905, 14.09.2009.Research output: Contribution to journal › Article
}
TY - JOUR
T1 - Ion distribution around a charged rod in one and two component solvents
T2 - Preferential solvation and first order ionization phase transition
AU - Okamoto, Ryuichi
AU - Onuki, Akira
PY - 2009/9/14
Y1 - 2009/9/14
N2 - In one and two component polar solvents, we calculate the counterion distribution around an ionizable rod treating the degree of ionization α as an annealed variable dependent on its local environment. In the two component case, we take into account the preferential solvation of the charged particles and the short-range interaction between the rod and the solvent. It follows a composition-dependent mass action law. The composition becomes heterogeneous around a charged rod on a mesoscopic scale, strongly affecting the counterion distribution. We predict a first order phase transition of weak-to-strong ionization for hydrophobic chains. This transition line starts from a point on the solvent coexistence curve and ends at an ionization critical point. The composition heterogeneity is long-ranged near the solvent critical point.
AB - In one and two component polar solvents, we calculate the counterion distribution around an ionizable rod treating the degree of ionization α as an annealed variable dependent on its local environment. In the two component case, we take into account the preferential solvation of the charged particles and the short-range interaction between the rod and the solvent. It follows a composition-dependent mass action law. The composition becomes heterogeneous around a charged rod on a mesoscopic scale, strongly affecting the counterion distribution. We predict a first order phase transition of weak-to-strong ionization for hydrophobic chains. This transition line starts from a point on the solvent coexistence curve and ends at an ionization critical point. The composition heterogeneity is long-ranged near the solvent critical point.
UR - http://www.scopus.com/inward/record.url?scp=69949142342&partnerID=8YFLogxK
UR - http://www.scopus.com/inward/citedby.url?scp=69949142342&partnerID=8YFLogxK
U2 - 10.1063/1.3216518
DO - 10.1063/1.3216518
M3 - Article
C2 - 19739871
AN - SCOPUS:69949142342
VL - 131
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
SN - 0021-9606
IS - 9
M1 - 094905
ER -