@article {1523,
	title = {Kirkwood-Buff integrals of aqueous alcohol binary mixtures},
	journal = {Journal of Chemical Physics},
	volume = {124},
	number = {12},
	year = {2006},
	note = {ISI Document Delivery No.: 028CPTimes Cited: 16Cited Reference Count: 32},
	month = {Mar},
	pages = {9},
	type = {Article},
	abstract = {The Kirkwood-Buff integrals of some binary aqueous alcohol mixtures are computed from the available vapor pressure measurements and compared with previous results as well as small angle neutron scattering experiments. The emphasis of the present report is on accuracy of the results that can be achieved by these two different types of measurements. This seems to be needed, mainly in view of the discrepancies between the various published results, as shown herein. It is argued that agreement in peak positions is more important than that in magnitude. In general, very good agreement is obtained by both methods, and sources of disagreements are discussed. The issue of the computer simulations of aqueous systems and the problematics related to correlations, microheterogeneity, and consequently the Kirkwood-Buff integrals are equally discussed herein.},
	keywords = {25-DEGREES-C, fluctuations, FORCE-FIELD, LIQUID-MIXTURES, MIXING SCHEME, PARAMETERS, PARTICLE NUMBER, TERT-BUTYL ALCOHOL, WATER MIXTURES, X-RAY-SCATTERING},
	isbn = {0021-9606},
	url = {<Go to ISI>://000236464000052},
	author = {Perera, A. and Sokolic, F. and Almasy, L. and Koga,Yoshikata}
}
@article {1627,
	title = {Toward understanding the Hofmeister series. 3. Effects of sodium halides on the molecular organization of H2O as probed by 1-propanol},
	journal = {Journal of Physical Chemistry A},
	volume = {110},
	number = {5},
	year = {2006},
	note = {ISI Document Delivery No.: 011VUTimes Cited: 15Cited Reference Count: 42},
	month = {Feb},
	pages = {2072-2078},
	type = {Article},
	abstract = {We investigated the effects of NaF, NaCl, NaBr, and NaI on the molecular organization of H2O by a calorimetric methodology developed by us earlier. We use the third derivative quantities of G pertaining to I-propanol (1P) in ternary 1P-asalt-H2O as a probe to elucidate the effects of a salt on H2O. We found that NaF and NaCl worked as hydration centers. The hydration numbers were 19 +/- 2 for NaF and 7.5 +/- 0.6 for NaCl. Furthermore, the bulk H2O away from the hydration shell was found unaffected by the presence of Na+, F-, and Cl-. For NaBr and NaI, in addition to the hydration to Na+, Br- and I- acted like a hydrophilic moiety such as urea. Namely, they formed a hydrogen bond to the existing H2O network and retarded the fluctuation nature of H2O. These findings were discussed with respect to the Hofmeister ranking. We suggested that more chaotropic anions Br- and I- are characterized as hydrophiles, whereas kosmotropes, F- and Cl-, are hydration centers.},
	keywords = {25-DEGREES-C, AQUEOUS-SOLUTIONS, CHEMICAL-POTENTIALS, DIELECTRIC-SPECTROSCOPY, INTERMOLECULAR INTERACTIONS, LIQUID WATER, MIXING SCHEMES, NONELECTROLYTES, partial molar enthalpy, TERT-BUTYL ALCOHOL},
	isbn = {1089-5639},
	url = {<Go to ISI>://000235297400050},
	author = {Westh, P. and Kato, H. and Nishikawa, K. and Koga,Yoshikata}
}
@article {1231,
	title = {On the evaluation of the Kirkwood-Buff integrals of aqueous acetone mixtures},
	journal = {Journal of Chemical Physics},
	volume = {123},
	number = {2},
	year = {2005},
	note = {ISI Document Delivery No.: 947NUTimes Cited: 14Cited Reference Count: 46},
	month = {Jul},
	pages = {11},
	type = {Article},
	abstract = {The Kirkwood-Buff integrals of acetone-water mixtures are determined using two experimental techniques: small-angle neutron scattering and vapor pressure measurements, in order to test the precision and reliability that can be achieved. The data are then compared with those previously reported by different authors, which tend to show considerable variation between them. The various possible sources of inaccuracies are pointed out, both from experimental origins and from the numerical treatment of the data. Comparison with recent simulation results allows to critically compare different models and provide some information about the microstructure of the aqueous mixture. (c) 2005 American Institute of Physics.},
	keywords = {CONCENTRATION, FLUCTUATION, HENRYS LAW REGION, MOLECULAR-DYNAMICS, NEUTRON-SCATTERING, ORGANIC SOLUTES, TERT-BUTYL ALCOHOL, TETRAMETHYL UREA, TOTAL PRESSURE, WATER MIXTURES, X-RAY-SCATTERING},
	isbn = {0021-9606},
	url = {<Go to ISI>://000230653700023},
	author = {Perera, A. and Sokolic, F. and Almasy, L. and Westh, P. and Koga,Yoshikata}
}
@article {1177,
	title = {Thermodynamic properties of water in the water-poor region of binary water plus alcohol mixtures},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {83},
	number = {5},
	year = {2005},
	note = {ISI Document Delivery No.: 930KOTimes Cited: 2Cited Reference Count: 54},
	month = {May},
	pages = {420-429},
	type = {Article},
	abstract = {In our previous thermodynamic studies, we suggested that alcohol molecules in water-poor water + alcohol mixtures exist as alcohol clusters in a form similar to the pure alcohols. Here, we use calorimetry and densitometry to investigate how H2O interacts with alcohol clusters in water-poor binary aqueous mixtures of 12 different alcohols. The composition dependence of the measured excess partial molar enthalpy and volume of water (H-W(E) and V-W(E)), along with entropy data calculated from H-W(E) and literature data for excess chemical potentials, showed that in water-poor solutions of small alcohols such as methanol, ethanol, and 1-propanol, mutual water-water interactions are endothermic, but entropically favorable. Conversely, in long-chain solvents such as 1-octanol and 1-decanol, the interaction is exothermic and entropically unfavorable. We suggest that these observations reflect water-alcohol hydrogen bonding in short-chain solvents and water clustering with more hydrogen bonding than in pure water or "dewetting" in mixtures of the longer alcohols, respectively. The composition dependence of H-W(E) was also used to locate anomalies that specify the boundary between the mixing schemes characterizing the intermediate and the water-poor regions of alcohol + water mixtures.},
	keywords = {25-DEGREES-C, ALKANE-MONO-OLS, aqueous alkane-mono-ols, AQUEOUS-SOLUTIONS, BUTANOL MIXTURES, DILUTE-SOLUTIONS, entropy and, EXCESS ENTHALPY, excess partial molar enthalpy, MIXING SCHEMES, PARTIAL MOLAR VOLUMES, RICH REGION, TERT-BUTYL ALCOHOL, VOLUME},
	isbn = {0008-4042},
	url = {<Go to ISI>://000229414900003},
	author = {Liltorp, K. and Westh, P. and Koga,Yoshikata}
}
@article {911,
	title = {"Icebergs" or no "Icebergs" in aqueous alcohols?: Composition-dependent mixing schemes},
	journal = {Journal of Physical Chemistry A},
	volume = {108},
	number = {17},
	year = {2004},
	note = {ISI Document Delivery No.: 814TNTimes Cited: 22Cited Reference Count: 38},
	month = {Apr},
	pages = {3873-3877},
	type = {Article},
	abstract = {The classical concept of "iceberg formation" is modified by our recent thermodynamic studies. The local enhancement of the hydrogen-bond network of H2O in the immediate vicinity of small nonelectrolyte solutes (i.e., the "iceberg formation") is still correct. However, the hydrogen-bond probability of bulk H2O away from solutes is reduced progressively, as the solute composition increases. When the hydrogen-bond probability of bulk H2O is reduced to the bond percolation threshold of the hexagonal ice connectivity, the hydrogen-bond percolation is lost and a qualitatively different mixing scheme sets in, whereby the solution consists of two kinds of clusters. In the solute-rich region, solute molecules form Clusters of its own kind. Thus, the "iceberg, formation" is basically correct within a narrow range in the H2O-rich region for small nonelectrolyte solutes. Thus, reference made to the "iceberg" concept in recent literatures should be clarified in terms of the concentration range and the size of solute in question.},
	keywords = {2-BUTOXYETHANOL, BUTANOL, fluctuations, hydration, HYDROPHOBIC SURFACES, MIXTURES, PARTIAL MOLAR VOLUMES, TERT-BUTYL ALCOHOL, WATER-RICH REGION, X-RAY-SCATTERING},
	isbn = {1089-5639},
	url = {<Go to ISI>://000220997100023},
	author = {Koga,Yoshikata and Nishikawa, K. and Westh, P.}
}
@article {634,
	title = {Chemical potential and concentration fluctuation in some aqueous alkane-mono-ols at 25 degrees C},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {81},
	number = {2},
	year = {2003},
	note = {ISI Document Delivery No.: 652JVTimes Cited: 14Cited Reference Count: 40},
	month = {Feb},
	pages = {141-149},
	type = {Article},
	abstract = {Vapour pressures of binary aqueous solutions of methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, and 1-hexanol were measured at 25.00(o)C in small compositional increments over the entire compositional range. Without resorting to any fitting function, the partial pressures were calculated numerically by methods based on the Gibbs-Duhem relation. When the system had an azeotrope, near which the numerical methods caused large errors, a graphical readjustment was applied such that the concentration fluctuation, S-XX(0) = RT(1 - x(AL))/(partial derivativemu (E)(AL)/partial derivativex(AL)), connected smoothly across the azeotrope. Values of S-XX(0) from scattering experiments were also used as a guide for the readjustment procedure. Hence, we report here chemical potential data free from any model or any fitting function.},
	keywords = {1-PROPANOL, 2-PROPANOL, aqueous mono-ols, BUTANOL MIXTURES, CONCENTRATION FLUCTUATIONS, ENTROPIES, KIRKWOOD-BUFF PARAMETERS, mixing, PARTIAL MOLAR ENTHALPIES, partial pressures by the Boissonnas method, SCHEMES, TERT-BUTYL ALCOHOL, WATER-RICH REGION, X-RAY-SCATTERING},
	isbn = {0008-4042},
	url = {<Go to ISI>://000181376800003},
	author = {Hu, J. H. and Haynes, C. A. and Wu, A. H. Y. and Cheung, C. M. W. and Chen, M. M. and Yee, E. G. M. and Ichioka, T. and Nishikawa, K. and Westh, P. and Koga,Yoshikata}
}
@article {4420,
	title = {Interactions in 1-propanol-urea-H2O: Chemical potentials, partial molar enthalpies, and entropies at 25 degrees C},
	journal = {Journal of Physical Chemistry B},
	volume = {102},
	number = {52},
	year = {1998},
	note = {ISI Document Delivery No.: 153MQTimes Cited: 27Cited Reference Count: 31},
	month = {Dec},
	pages = {10958-10965},
	type = {Article},
	abstract = {The excess partial molar enthalpies of I-propanol were determined in aqueous urea solutions. The total vapor pressures of 1-propanol-urea-H2O were also measured. The numerical analysis applied in a previous paper (J. Phys. Chem. B 1998, 102, 5182) was used to calculate partial pressures and, hence, the excess chemical potentials of each component. Thus, the excess partial molar entropies of l-propanol were obtained. From these partial molar quantities, the interaction functions between a pair of solute molecules were calculated following the method developed by us ( J. Phys. Chern. B 1996, 100, 5172). All these data seem to indicate that urea molecules lock into the hydrogen bond network of H2O, keep the connectivity of hydrogen bond intact, but reduce the degree of fluctuation that is characteristic of liquid water. I-Propanol molecules modify the hydrogen bond network in the same manner with or without urea, and hence the same amount of 1-propanol is required to break down the connectivity, i.e., the loss of hydrogen bond percolation. However, the H2O-mediated interaction between l-propanol solutes is weakened since the hydrogen bond fluctuation responsible for such an interaction is reduced by the presence of urea.},
	keywords = {AQUEOUS-SOLUTIONS, fluctuations, INTERMOLECULAR INTERACTIONS, KIRKWOOD-BUFF PARAMETERS, MIXING SCHEMES, MIXTURES, TERT-BUTYL ALCOHOL, UREA, WATER-RICH REGION, X-RAY-SCATTERING},
	isbn = {1089-5647},
	url = {<Go to ISI>://000077837200040},
	author = {To, E. C. H. and Hu, J. H. and Haynes, C. A. and Koga,Yoshikata}
}
@article {3721,
	title = {Mixing schemes in aqueous solutions of nonelectrolytes: A thermodynamic approach},
	journal = {Journal of Physical Chemistry},
	volume = {100},
	number = {13},
	year = {1996},
	note = {ISI Document Delivery No.: UC398Times Cited: 92Cited Reference Count: 77},
	month = {Mar},
	pages = {5172-5181},
	type = {Article},
	abstract = {Thermodynamic studies were carried out on aqueous solutions of some nonelectrolytes. The quantities proportional to the second derivatives of Gibbs energy were measured directly and in small increments in mole fraction or temperature. Therefore, we were able to differentiate once more with respect to mole fraction or temperature. Generally, the higher the order of the derivative, the more detailed the information it contains. Using these second and third derivatives, an attempt was made at elucidating the mixing schemes, the way in which solute and solvent H2O molecules mix with each other. For the following nonelectrolytes studied so far, 2-butoxyethanol, tert-butyl alcohol, 2-butanone, isobutyric acid, and dimethyl sulfoxide, there are separate regions in the single-phase domain of the temperature-mole fraction field, in each of which the mixing scheme is qualitatively different from those of the other regions. The details of each mixing scheme were elucidated from the behavior of the second and third derivatives of Gibbs energy. In the water-rich region (I), the effect of a solute was suggested to enhance the hydrogen bonds of H2O in the vicinity of the solute but to diminish the hydrogen bond probability of the bulk H2O away from the solute. When the hydrogen bond probability at a certain region of bulk water decreases to that of the percolation threshold, this mixing scheme is no longer operative, and mixing scheme II sets in. The transition from the mixing scheme of region I to that in region (II) was found to accompany anomalies in the third derivatives of Gibbs energy, in contrast to the normal phase transitions which are associated with anomalies in the second derivatives of Gibbs energy. In the intermediate region (II), it was suggested that the solution consists of two kinds of clusters rich in each component. In the solute-rich region (III), at least for the 2-butoxyethanol and dimethyl sulfoxide cases, the clusters of purely solute molecules exist and H2O molecules are {\textquoteright}{\textquoteright}adsorbed{\textquoteright}{\textquoteright} on the surfaces of such clusters.},
	keywords = {2-BUTOXYETHANOL WATER, BUTANOL, CORRELATION LENGTH, HEAT-CAPACITIES, KIRKWOOD-BUFF PARAMETERS, LOCAL-STRUCTURE, MIXTURES, PARTIAL MOLAR ENTHALPIES, TERT-BUTYL ALCOHOL, WATER-RICH REGION, X-RAY-SCATTERING},
	isbn = {0022-3654},
	url = {<Go to ISI>://A1996UC39800006},
	author = {Koga,Yoshikata}
}
@article {3077,
	title = {ANOMALOUS X-RAY-SCATTERING FROM AQUEOUS 2-BUTOXYETHANOL AT X(BE)=0.06 NEAR FREEZING},
	journal = {Chemical Physics Letters},
	volume = {228},
	number = {1-3},
	year = {1994},
	note = {ISI Document Delivery No.: PJ977Times Cited: 5Cited Reference Count: 31},
	month = {Sep},
	pages = {53-56},
	type = {Article},
	abstract = {{Small angle X-ray scattering was measured from aqueous 2-butoxyethanol of mole fraction x(BE) = 0.06 at 273, 278 and 298 K. Anomalously strong scattering was observed at 273 and 278 K. The scattering intensity I is proportional to s(-3) in the range s<0.06 Angstrom(-1), where s is the momentum transfer of scattering},
	keywords = {CONCENTRATION FLUCTUATIONS, CORRELATION LENGTH, KIRKWOOD-BUFF PARAMETERS, LIGHT-SCATTERING, mixing, MIXTURES, PARTIAL MOLAR ENTHALPIES, SCHEME, TERT-BUTYL ALCOHOL, TRANSITION, WATER-RICH REGION},
	isbn = {0009-2614},
	url = {<Go to ISI>://A1994PJ97700008},
	author = {Koga,Yoshikata and Nishikawa, K. and Yoshino, K. and Tanaka, I. and Xu, Y. N. and Amemiya, Y.}
}
@article {7055,
	title = {VAPOR-PRESSURES OF AQUEOUS 2-BUTOXYETHANOL SOLUTIONS AT 25-DEGREES-C - TRANSITIONS IN MIXING SCHEME},
	journal = {Journal of Physical Chemistry},
	volume = {95},
	number = {10},
	year = {1991},
	note = {ISI Document Delivery No.: FM513Times Cited: 54Cited Reference Count: 30},
	month = {May},
	pages = {4119-4126},
	type = {Article},
	abstract = {The vapor pressures of aqueous solutions of 2-butoxyethanol (BE) were determined at 25.00-degrees-C. The partial pressures of BE and H2O and hence the excess partial molar free energies, G(m)E(i) (i = BE or H2O) were calculated by the Boissonnas method. Using the values of the excess partial molar enthalpies, H(m)E(i) (i = BE or H2O), measured previously in this laboratory (Can. J. Chem. 1989, 67, 671), the excess partial molar entropies, S(m)E(i) (i = BE or H2O), were calculated. From the concentration dependence of these excess partial molar quantities, more detailed insight into the mixing scheme became available. In particular, two boundaries were noted within the single-phase domain that separate the regions in which the thermodynamic properties and hence the mixing schemes are different. The transition in mixing scheme from the water-rich region to the intermediate region is associated with cusp or peak anomalies in the quantities that are proportional to the third derivatives of the free energy. The transition from the intermediate to the BE-rich region appears to be accompanied by jump anomalies of the fourth derivatives of the free energy.},
	keywords = {ALKOXYETHANOLS, BUTANOL MIXTURES, COMPUTER EXPERIMENTS, CORRELATION LENGTH, KIRKWOOD-BUFF PARAMETERS, PARTIAL MOLAR ENTHALPIES, SCATTERING, TERT-BUTYL ALCOHOL, VOLUMES, WATER-SYSTEMS},
	isbn = {0022-3654},
	url = {<Go to ISI>://A1991FM51300041},
	author = {Koga,Yoshikata}
}
