@article {2474,
	title = {Spectrum of Excess Partial Molar Absorptivity. I. Near Infrared Spectroscopic Study of Aqueous Acetonitrile and Acetone},
	journal = {Journal of Physical Chemistry B},
	volume = {113},
	number = {35},
	year = {2009},
	note = {ISI Document Delivery No.: 487EETimes Cited: 4Cited Reference Count: 22Koga, Yoshikata Sebe, Fumie Minami, Takamasa Otake, Keiko Saitow, Ken-ichi Nishikawa, Keiko},
	month = {Sep},
	pages = {11928-11935},
	type = {Article},
	abstract = {We study the mixing schemes or the molecular processes occurring in aqueous acetonitrile (ACN) and acetone (ACT) by near-infrared spectroscopy (NIR). Both solutions (any other aqueous solutions) are not free from strong and complex intermolecular interactions. To tackle such a many-body problem, we first use the concept of the excess molar absorptivity, epsilon(E), which is a function of solute mole fraction in addition to that of wavenumber, nu. The plots of F E calculated from NIR spectra for both aqueous solutions against nu showed two clearly separated bands at 5020 and 5230 cm(-1); the former showed negative and the latter positive peaks. At zero and unity mole fractions of solute, epsilon(E) is identically zero independent of v. Similar to the thermodynamic excess functions, both negative and positive bands grow in size from zero to the minimum (or the maximum) and back to zero, as the mole fraction varies from 0 to 1. Since the negative band{\textquoteright}s nu-locus coincides with the NIR spectrum of ice, and the positive with that of liquid H2O, we suggest that on addition of solute the "ice-likeness" decreases and the "liquid-likeness" increases, reminiscent of the two-mixture model for liquid H2O. The modes of these variations, however, are qualitatively different between ACN-H2O and ACT-H2O. The former ACN is known to,let as a hydrophobe and ACT as a hydrophile from Our previous thermodynamic studies. To see the difference more clearly, we introduced and calculated the excess partial molar absorptivity of ACN and ACT, epsilon(E)(N), and epsilon(E,)(T) respectively. The mole fraction dependences of epsilon(E)(N) and epsilon(E)(T) show qualitatively different behavior and are consistent with the detailed mixing schemes elucidated by our earlier differential thermodynamic studies. Furthermore, we found in the H2O-rich region that the effect of hydrophobic ACN is acted on the negative band at 5020 cm(-1), while that of hydrophilic ACT is on the positive high-energy band. Thus, the present method of analysis adds more detailed insight into the difference between a hydrophobe and a hydrophile in their effects on H2O.},
	keywords = {2-DIMENSIONAL CORRELATION SPECTROSCOPY, 25-DEGREES-C, CHEMICAL-POTENTIALS, ENTHALPIES, ENTROPIES, HYDROGEN-BONDS, MIXTURES, NON-ELECTROLYTES, TEMPERATURE, WATER},
	isbn = {1520-6106},
	url = {<Go to ISI>://000269252700016},
	author = {Koga,Yoshikata and Sebe, F. and Minami, T. and Otake, K. and Saitow, K. and Nishikawa, K.}
}
@article {1507,
	title = {Anomalous dynamic behavior of ions and water molecules in dilute aqueous solution of 1-butyl-3-methylimidazolium bromide studied by NMR},
	journal = {Chemical Physics Letters},
	volume = {427},
	number = {1-3},
	year = {2006},
	note = {ISI Document Delivery No.: 073OUTimes Cited: 4Cited Reference Count: 18Nakakoshi, Masamichi Ishihara, Shinji Utsumi, Hiroaki Seki, Hiroko Koga, Yoshikata Nishikawa, Keiko},
	month = {Aug},
	pages = {87-90},
	type = {Article},
	abstract = {Dynamic properties of 1-butyl-3-methylimidazolium bromide ([bmim]Br) in D2O were investigated by NMR. The diffusion coefficients of [bmim](divided by)and HDO were determined separately by the pulse field gradient method. The dynamics of Br- was estimated by the half-widths of the signals of Br-81-NMR. The results indicate that an anomalous dynamics, especially for [bmim](divided by), is evident in the region below similar to 0.1 M (0.0019 in the mole fraction of [bmim]Br). For [bmim](divided by) and HDO, maxima appeared in the curves of the diffusion coefficients plotted against the concentration. The relaxation time, T-2, for Br- showed a break in slope at this composition. Probable interpretations on these findings are presented. (c) 2006 Elsevier B.V. All rights reserved.},
	keywords = {1-PROPANOL, DIFFUSION, ELECTROLYTES, H2O, LIQUIDS, MIXTURES, SOLVENTS, SPECTROSCOPY},
	isbn = {0009-2614},
	url = {<Go to ISI>://000239753300018},
	author = {Nakakoshi, M. and Ishihara, S. and Utsumi, H. and Seki, H. and Koga,Yoshikata and Nishikawa, K.}
}
@article {1519,
	title = {Crystallization of aqueous inorganic-malonic acid particles: Nucleation rates, dependence on size, and dependence on the ammonium-to-sulfate},
	journal = {Journal of Physical Chemistry A},
	volume = {110},
	number = {26},
	year = {2006},
	note = {ISI Document Delivery No.: 058DRTimes Cited: 16Cited Reference Count: 63},
	month = {Jul},
	pages = {8108-8115},
	type = {Article},
	abstract = {Using an electrodynamic balance, we determined the relative humidity ( RH) at which aqueous inorganic-malonic acid particles crystallized, with ammonium sulfate ((NH4)(2)SO4), letovicite ((NH4)(3)H(SO4)(2)), or ammonium bisulfate (NH4HSO4) as the inorganic component. The results for (NH4)(2)SO4-malonic acid particles and (NH4)(3)H(SO4)(2)-malonic acid particles show that malonic acid decreases the crystallization RH of the inorganic particles by less than 7\% RH when the dry malonic acid mole fraction is less than 0.25. At a dry malonic acid mole fraction of about 0.5, the presence of malonic acid can decrease the crystallization RH of the inorganic particles by up to 35\% RH. For the NH4HSO4-malonic acid particles, the presence of malonic acid does not significantly modify the crystallization RH of the inorganic particles for the entire range of dry malonic acid mole fractions studied; in all cases, either the particles did not crystallize or the crystallization RH was close to 0\% RH. Size dependent measurements show that the crystallization RH of aqueous (NH4)(2)SO4 particles is not a strong function of particle volume. However, for aqueous (NH4)(2)SO4-malonic acid particles ( with dry malonic acid mole fraction) 0.36), the crystallization RH is a stronger function of particle volume, with the crystallization RH decreasing by 6 +/- 3\% RH when the particle volume decreases by an order of magnitude. To our knowledge, these are the first size dependent measurements of the crystallization RH of atmospherically relevant inorganic-organic particles. These results suggest that for certain organic mole fractions the particle size and observation time need to be considered when extrapolating laboratory crystallization results to atmospheric scenarios. For aqueous (NH4)(2)SO4 particles, the homogeneous nucleation rate data are a strong function of RH, but for aqueous (NH4)(2)SO4-malonic acid particles (with dry organic mole fraction = 0.36), the rates are not as dependent on RH. The homogeneous nucleation rates for aqueous (NH4)(2)SO4 particles were parametrized using classical nucleation theory, and from this analysis we determined that the interfacial surface tension between the crystalline ammonium sulfate critical nucleus and an aqueous ammonium sulfate solution is between 0.053 and 0.070 J m(-2).},
	keywords = {AEROSOL-PARTICLES, ATMOSPHERIC PARTICLES, BALANCE, ELECTRODYNAMIC, HETEROGENEOUS NUCLEATION, HYGROSCOPIC PROPERTIES, MIXTURES, ORGANIC-COMPOUNDS, PHASE-TRANSITIONS, RELATIVE-HUMIDITY, WATER-UPTAKE},
	isbn = {1089-5639},
	url = {<Go to ISI>://000238645600017},
	author = {Parsons, M. T. and Riffell, J. L. and Bertram, A. K.}
}
@article {1238,
	title = {Statistical evaluation of electrospray tandem mass spectra for optimized peptide fragmentation},
	journal = {Journal of the American Society for Mass Spectrometry},
	volume = {16},
	number = {4},
	year = {2005},
	note = {ISI Document Delivery No.: 911RDTimes Cited: 6Cited Reference Count: 33},
	month = {Apr},
	pages = {505-514},
	type = {Article},
	abstract = {Liquid chromatography-tandem mass spectrometry (LC-MS/MS) has become the method of choice for the analysis of complex peptide mixtures. It combines the separation power of nanoflow LC with highly specific sequence analysis, allowing automated peptide sequencing with high resolution and throughput. For peptide fragmentation, the current experimental setup uses predefined parameters based on the mass-to-charge ratio of the individual precursor. Suitable parameters are typically established by empirical evaluation of fragment spectra of individual peptides used as standards. As a result, nonoptimal fragment spectra are obtained if peptides show fragmentation behavior different from these standards, which often result in the loss of sequence-specific fragment ion information. Here we describe a statistical approach for the systematic evaluation of the quality of individual peptide fragment spectra based on the calculation of their arithmetic mean and standard deviation. The method utilizes the dependence of these parameters on the difference in electric potential across the collision cell to determine the value that results in maximum information content. We show that the method is applicable to fragment spectra generated from a variety of multiply-charged tryptic peptides, over a wide concentration range, and on different types of mass analyzers. We also show how this novel approach can be used to define optimized collision energy settings over a wide mass-to-charge range. (J Am Soc Mass Spectrom 2005,16,505-514) (c) 2005 American Society for Mass Spectrometry},
	keywords = {ALGORITHM, ASSISTED-LASER-DESORPTION/IONIZATION, COLLISION-INDUCED DISSOCIATION, DATABASE SEARCH, MIXTURES, PROTEIN IDENTIFICATION, PROTEOMICS, PROTONATED PEPTIDES, SPECTROMETRY},
	isbn = {1044-0305},
	url = {<Go to ISI>://000228021400010},
	author = {Rogalski, J. C. and Lin, M. S. and Sniatynski, M. J. and Taylor, R. J. and Youhnovski, N. and Przybylski, M. and Kast, J.}
}
@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 {901,
	title = {Mixing schemes in ionic liquid-H2O systems: A thermodynamic study},
	journal = {Journal of Physical Chemistry B},
	volume = {108},
	number = {50},
	year = {2004},
	note = {ISI Document Delivery No.: 879CXTimes Cited: 78Cited Reference Count: 33},
	month = {Dec},
	pages = {19451-19457},
	type = {Article},
	abstract = {We studied the hydration characteristics of room-temperature ionic liquids (IL). We experimentally determined the excess chemical potentials, mu(i)(E), the excess partial molar enthalpies, H-i(E), and the excess partial molar entropies S-i(E) in IL-H2O systems at 25 degreesC. The ionic liquids studied were 1-butyl-3-methylimidazolium tetrafluoroborate ([bmim]BF4) and the iodide ([bmim]l). From these data, the excess (integral) molar enthalpy and entropy, H-m(E) and S-m(E), and the IL-IL enthalpic interaction, H-IL-IL(E), were calculated. Using these thermodynamic data, we deduced the mixing schemes, or the "solution structures", of IL-H2O systems. At infinite dilution IL dissociates in H2O, but the subsequent hydration is much weaker than for NaCl. As the concentration of IL increases, [bmim]l ions and the counteranions begin to attract each other up to a threshold mole fraction, x(IL) = 0.015 for [bmim]BF4 and 0.013 for [bmim]l. At still higher mole fractions, IL ions start to organize themselves, directly or in an H2O-Mediated manner. Eventually for x(IL) > 0.5-0.6, IL molecules form clusters of their own kind, as in their pure states. We show tha HI-L-IL, a third derivative of G, provided finer details than H-i(E) and S-i(E) second derivatives, which in turn gave more detailed information than H-m(E) and S-m(E), first derivative quantities.},
	keywords = {25-DEGREES-C, AQUEOUS SODIUM-CHLORIDE, ENTHALPIES, GLYCEROL, H2O, METHANOL, MIXTURES, MOLECULAR-ORGANIZATION, SOLVENTS, WATER},
	isbn = {1520-6106},
	url = {<Go to ISI>://000225695100058},
	author = {Katayanagi, H. and Nishikawa, K. and Shimozaki, H. and Miki, K. and Westh, P. and Koga,Yoshikata}
}
@article {883,
	title = {Shearing of nanoscopic bridges in two-component thin liquid layers between chemically patterned walls},
	journal = {Journal of Chemical Physics},
	volume = {121},
	number = {13},
	year = {2004},
	note = {ISI Document Delivery No.: 857VETimes Cited: 4Cited Reference Count: 24},
	month = {Oct},
	pages = {6508-6517},
	type = {Article},
	abstract = {Bridge phases associated with a phase transition between two liquid phases occur when a two-component liquid mixture is confined between chemically patterned walls. In the bulk the liquid mixture with components A, B undergoes phase separation into an A-rich phase and a B-rich phase. The walls bear stripes attractive to A. In the bridge phase A-rich and B-rich regions alternate. Grand canonical Monte Carlo studies are performed with the alignment between stripes on opposite walls varied. Misalignment of the stripes places the nanoscopic liquid bridges under shear strain. The bridges exert a Hookean restoring force on the walls for small displacements from equilibrium. As the strain increases there are deviations from Hooke{\textquoteright}s law. Eventually there is an abrupt yielding of the bridges. Molecular dynamics simulations show the bridges form or disintegrate on time scales which are fast compared to wall motion and transport of molecules into or from the confined space. Some interesting possible applications of the phenomena are discussed. (C) 2004 American Institute of Physics.},
	keywords = {BEHAVIOR, CAPILLARY CONDENSATION, FILMS, FLUID, INDUCED PHASE-TRANSITIONS, MIXTURES, PORES},
	isbn = {0021-9606},
	url = {<Go to ISI>://000224146300049},
	author = {Hemming, C. J. and Patey, G. N.}
}
@article {587,
	title = {Excess chemical potential and partial molar enthalpy of 2-iso-butoxyethanol in aqueous solution at 20 degrees C},
	journal = {Thermochimica Acta},
	volume = {397},
	number = {1-2},
	year = {2003},
	note = {ISI Document Delivery No.: 642RNTimes Cited: 0Cited Reference Count: 14},
	month = {Feb},
	pages = {75-80},
	type = {Article},
	abstract = {Vapour pressures were determined at 20degreesC for aqueous 2-iso-butoxyethanol (ME). Partial pressures and hence, the excess chemical potentials of iBE were calculated by the Boissonnas method. Excess partial molar enthalpies were measured, and the excess partial molar entropies of iBE were then calculated at 20degreesC. These data and their mole fraction dependence indicated that there are three mixing schemes operative, in the same way as in aqueous 2-n-butoxyethanol (nBE) studied extensively by us. The details of each mixing schemes are identical, but the locus of the transition between mixing schemes I and II occurs at a smaller mole fraction than for aqueous nBE. This suggests that iBE is a stronger hydrophobic solute than nBE, which is consistent with the common understanding. (C) 2002 Elsevier Science B.V. All rights reserved.},
	keywords = {2-BUTOXYETHANOL, 2-iso-butoxyethanol-H2O, 2-ISOBUTOXYETHANOL, 2-n-butoxyethanol-H2O, 25-DEGREES-C, a stronger hydrophobicity than 2-n-butoxyethanol, ALCOHOL, BUTYL, enthalpic interaction functions, excess partial molar enthalpy and entropy, LAW REGION, MIXING SCHEME, MIXTURES, THERMODYNAMIC PROPERTIES, three mixing schemes identical with, VAPOR-PRESSURES, WATER},
	isbn = {0040-6031},
	url = {<Go to ISI>://000180803100010},
	author = {Cheung, C. M. W. and Chan, K. P. Y. and Koga,Yoshikata}
}
@article {656,
	title = {Excess partial molar entropy of alkane-mono-ols in aqueous solutions 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: 9Cited Reference Count: 21},
	month = {Feb},
	pages = {150-155},
	type = {Article},
	abstract = {In the preceding paper, we reported the values of model-free chemical potentials for aqueous methanol, ethanol, 1-propanol, 2-propanol, 1-butanol, and 1-hexanol at 25degreesC over the entire compositional region. Using alcohol excess partial molar enthalpies, H-AL(E), determined earlier in this laboratory (Can. J. Chem. 74, 713 (1996)), we have calculated excess partial molar entropies for the alcohols, S-AL(E), where AL stands for an alcohol. We then calculated, numerically, the entropic interaction, S-AL-AL(E) = N(partial derivativeS(AL)(E)/partial derivativen(AL))(p,T,nW), where n(AL) is the amount of AL, n(W) is the amount of H2O, and N is the total amount of solution. S-AL-AL(E) signifies the effect of addition of AL upon the entropic situation of existing AL in solution. Using these quantities, the mixing schemes in aqueous alcohols have been studied. The earlier conclusions, which used H-AL(E) and H-AL-AL(E) alone, are confirmed. Furthermore, the order of the relative hydrophobic nature of alcohols is established from the behaviour of S-AL-AL(E) and of H-AL-AL(E) as methanol < ethanol < 2-propanol < 1-propanol.},
	keywords = {2-BUTOXYETHANOL, ALCOHOL, aqueous alcohols, BUTANOL, ENTHALPIES, entropic interaction, excess partial molar entropies, hydrophobicity ranking, MIXING SCHEME, MIXING SCHEMES, MIXTURES, NONELECTROLYTES, TRANSITION, VOLUMES, WATER-RICH REGION},
	isbn = {0008-4042},
	url = {<Go to ISI>://000181376800004},
	author = {Koga,Yoshikata and Westh, P. and Nishikawa, K.}
}
@article {5094,
	title = {Additive effect of 1-propanol and 2-propanol on molecular organization of H2O in the water-rich region: Excess chemical potential, partial molar enthalpy and volume of 1-propanol in 1-propanol-2-propanol-H2O at 25 degrees C},
	journal = {Bulletin of the Chemical Society of Japan},
	volume = {74},
	number = {5},
	year = {2001},
	note = {ISI Document Delivery No.: 443WKTimes Cited: 16Cited Reference Count: 25},
	month = {May},
	pages = {809-816},
	type = {Article},
	abstract = {Excess chemical potential, mu (E)(1P), partial molar enthalpy, H-1P(E) and volume of 1-propanol, V-1P(E), were determined as a function of mole fraction of l-propanol, rip, in mixed solvents of aqueous 2-propanol with various initial mole fraction of 2-propanol, x(2P)(0). The 1-propanol-1-propanol interaction functions, H-1P-1P(E) equivalent to N(partial derivativeH(1P)(E)/partial derivativen(1P)), and V-1P-1P(E) equivalent to N(partial derivativeV(1P)(E)/ partial derivativen(1P)), were evaluated by graphical differentiation. The rip-dependence of all these quantities indicates that l-propanol and 2-propanol modify the molecular organization of H2O in the same and additive manner in the water-rich region. The additive effect of 1-propanol and that of 2-propanol are in the ratio of (0.07/0.08).},
	keywords = {25-DEGREES-C, AQUEOUS 2-BUTOXYETHANOL, ENTROPIES, fluctuations, INTERMOLECULAR INTERACTIONS, LYSOZYME, MIXING SCHEMES, MIXTURES, TERT-BUTANOL},
	isbn = {0009-2673},
	url = {<Go to ISI>://000169365200004},
	author = {Hu, J. H. and Chiang, W. M. D. and Westh, P. and Chen, D. H. C. and Haynes, C. A. and Koga,Yoshikata}
}
@article {4756,
	title = {Excess chemical potentials, partial molar enthalpies and entropies in binary aqueous acetone and tetramethyl urea at 25 degrees C},
	journal = {Fluid Phase Equilibria},
	volume = {175},
	number = {1-2},
	year = {2000},
	note = {ISI Document Delivery No.: 380MDTimes Cited: 15Cited Reference Count: 12},
	month = {Nov},
	pages = {35-43},
	type = {Article},
	abstract = {We measured excess chemical potentials, mu (E)(i), excess partial molar enthalpy, H-i(E), of solute i in aqueous acetone and tetramethyl urea (TMU). We then evaluated excess partial molar entropy, S-i(E). They all were determined accurately and in small increments in mole fraction, and hence, it was possible to take one more derivative with respect to mole fraction. These higher derivatives were used to learn more about intermolecular interaction in solution. Furthermore, they were used to detect anomalous thermodynamic behaviour, in particular a qualitative change in mixing scheme. We conclude that in both aqueous solutions, three distinctively different mixing schemes are operative depending on the composition range, and that in the most H2O-rich region, solute molecules enhance the hydrogen bond network of H2O in their immediate vicinity. However, the hydrogen bond probability in the bulk of H2O away from solute is reduced. (C) 2000 Elsevier Science B.V. All rights reserved.},
	keywords = {aqueous acetone, ENERGIES, excess chemical potential, interaction functions, MIXTURES, molar enthalpy and entropy, PARTIAL, TETRAMETHYL UREA, VOLUMES},
	isbn = {0378-3812},
	url = {<Go to ISI>://000165704900004},
	author = {Chen, D. H. C. and Chu, P. M. and Tanaka, S. H. and To, E. C. H. and Koga,Yoshikata}
}
@article {4949,
	title = {Mixing scheme of aqueous butan-1-ol in the water-rich region at 25 degrees C: Excess chemical potential, partial molar enthalpy, entropy and volume, heat capacity compressibility and thermal expansivity},
	journal = {Physical Chemistry Chemical Physics},
	volume = {2},
	number = {3},
	year = {2000},
	note = {ISI Document Delivery No.: 286KDTimes Cited: 15Cited Reference Count: 20},
	month = {Feb},
	pages = {355-359},
	type = {Article},
	abstract = {We determined excess chemical potential, partial molar enthalpy, entropy and volume, heat capacity, isothermal compressibility and thermal expansivity for aqueous butan-1-ol in the water-rich region up to the phase separation boundary at 25 degrees C. The latter three response functions were used to calculate the mean-square fluctuation densities, which signifies the amplitude, or the intensity, of fluctuations in volume, entropy or cross (entropy-volume) fluctuations. Furthermore, we calculated the (mean-square) normalized fluctuations that are indicative of the wavelength, or the extensity, as well as the amplitude of respective fluctuations. The behaviour of these thermodynamic quantities were compared with those obtained earlier in this laboratory for aqueous methanol, ethanol, propan-1-ol, tert-butanol (tert-butyl alcohol), and 2-butoxyethanol. We conclude that in the water-rich region of aqueous butan-1-ol, mixing scheme I is operative as in other alcohols, whereby butan-1-ol molecules enhance the hydrogen bond network of H2O in their immediate vicinities with concomitant reduction of hydrogen bond probability in the bulk H2O away from solutes. However, before reaching the phase separation boundary there was no signature indicative of the transition of mixing scheme observed in other aqueous alcohols. Thus, in aqueous butan-1-ol phase separation occurs directly from mixing scheme I, without going through mixing scheme II, which we argued earlier to be a preparation stage for phase separation for the other alcohols.},
	keywords = {2-BUTOXYETHANOL, fluctuations, ISOTHERMAL COMPRESSIBILITIES, MIXTURES},
	isbn = {1463-9076},
	url = {<Go to ISI>://000085442300008},
	author = {Tamura, K. and Hu, J. H. and Trandum, C. and Westh, P. and Haynes, C. A. and Koga,Yoshikata}
}
@article {4889,
	title = {A thermodynamic study of aqueous acetonitrile: excess chemical potentials, partial molar enthalpies, entropies and volumes, and fluctuations},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {78},
	number = {12},
	year = {2000},
	note = {ISI Document Delivery No.: 385LGTimes Cited: 9Cited Reference Count: 24},
	month = {Dec},
	pages = {1553-1560},
	type = {Article},
	abstract = {We measured vapour pressures of aqueous acetonitrile (abbreviated as ACN) at 6, 20, and 37 degreesC, from which excess chemical potentials of ACN (mu (E)(ACN)) were calculated. We also determined excess partial molar enthalpies of ACN (H-ACN(E)) at 6, 20, 30, 37, and 45 degreesC. From these data, excess partial molar entropies of ACN (S-ACN(E)) were calculated at 6, 20, and 37 degreesC. Using density data by Benson{\textquoteright}s group, excess partial molar volumes of ACN (V-ACN(E)) were evaluated. The response function data by the same group were also used to evaluate amplitude and wavelength of mean-square fluctuations in terms of volume, entropy, and cross between volume and entropy. All the above quantities and their dependence on the mol fraction of solute, i.e., the effect of additional solute on the above quantities were used to study the effect of acetonitrile on the molecular organization of H2O. It was found that acetonitrile works as a stronger structure-making solute than methanol. Rather its effect on H2O is about the same as that of propan-1-ol.},
	keywords = {2-BUTOXYETHANOL, 25-DEGREES-C, aqueous acetonitrile, BUTYL ALCOHOL, fluctuations, FREE-ENERGIES, interaction functions, MIXING SCHEMES, MIXTURES, NON-ELECTROLYTES, TERT-BUTANOL, VAPOR-PRESSURES, WATER-RICH REGION},
	isbn = {0008-4042},
	url = {<Go to ISI>://000166005500003},
	author = {Nikolova, P. V. and Duff, S. J. B. and Westh, P. and Haynes, C. A. and Kasahara, Y. and Nishikawa, K. and Koga,Yoshikata}
}
@article {4679,
	title = {Compressibilities of aqueous tert-butanol in the water-rich region at 25 degrees C: Partial molar fluctuations and mixing schemes},
	journal = {Physical Chemistry Chemical Physics},
	volume = {1},
	number = {1},
	year = {1999},
	note = {ISI Document Delivery No.: 179VLTimes Cited: 18Cited Reference Count: 25},
	month = {Jan},
	pages = {121-126},
	type = {Article},
	abstract = {We measured the speeds of sound, u, and the densities, d, and, hence, determined the adiabatic compressibilities, kappa(S), of aqueous tert-butanol (TBA) at small increments in mole fraction of TBA, x(TBA). Existing data for heat capacity, C-p, and thermal expansivity, alpha(p), were used to convert kappa(S) to the isothermal compressibilities, kappa(T). Using these kappa(T) data, the normalized volume fluctuations, (V)Delta, and their composition derivative, the partial molar volume fluctuations of TBA, (V)Delta(TBA), (Y. Koga and P. Westh, Bull. Chem. Soc. Jpn., 1996, 69, 1505) were calculated. By using C-p data available in the literature we also calculated the normalized entropy fluctuations, (S)Delta, and the partial molar entropy fluctuations of TBA, (S)Delta(TBA). Furthermore, the density data at 15, 25 and 35 degrees C in the literature were used to evaluate the thermal expansivities, alpha(p), from which the normalized cross (entropy-volume) fluctuations, (SV)Delta, and the partial molar cross-fluctuations of TBA, (SV)Delta(TBA), were calculated. The composition dependence of these fluctuation functions were interpreted in the Light of the mixing schemes in aqueous solutions of TBA and other non-electrolytes and the transition between them (Y. Koga, J. Phys. Chem., 1996, 100, 5172).},
	keywords = {2-BUTOXYETHANOL, ALCOHOL, ENTHALPIES, ISOCHORIC HEAT-CAPACITIES, ISOTHERMAL COMPRESSIBILITIES, MIXTURES, NONELECTROLYTES, SOUND, TRANSITION, VOLUMES},
	isbn = {1463-9076},
	url = {<Go to ISI>://000079350200017},
	author = {Tamura, K. and Osaki, A. and Koga,Yoshikata}
}
@article {4686,
	title = {Excess chemical potentials, excess partial molar enthalpies, entropies, volumes, and isobaric thermal expansivities of aqueous glycerol at 25 degrees C},
	journal = {Journal of Solution Chemistry},
	volume = {28},
	number = {10},
	year = {1999},
	note = {ISI Document Delivery No.: 247VPTimes Cited: 36Cited Reference Count: 27},
	month = {Oct},
	pages = {1137-1157},
	type = {Article},
	abstract = {The vapor pressures p the excess partial molar enthalpies of glycerol He,, the densities d and the thermal expansivities oc, of aqueous glycerol were measured at 25 degrees C. From the vapor pressure data, the excess chemical potential of H2O mu(W)(E) was calculated, assuming that the partial pressure of glycerol Poly is negligibly small. The excess chemical potential of glycerol mu(Gly)(E) was estimated by applying the Gibbs-Duhem relation and these data were used to calculate the excess partial molar entropies S-Gly(E). From the density data, the excess partial molar volumes of glycerol V-Gly(E) and from the thermal expansivity data, the normalized cross fluctuations (SV)Delta, introduced by us earlier, were evaluated. While the detailed manner in which glycerol modifies the molecular arrangement of H2O in its immediate vicinity is yet to be elucidated, the hydrogen bond probability in the bulk H2O away from solute molecules is reduced gradually as the glycerol composition increases to the point where putative presence of icelike patches is no longer possible. Thereupon, a qualitatively different mixing scheme seems to set in.},
	keywords = {2-BUTOXYETHANOL, aqueous glycerol, excess partial molar enthalpies and, fluctuations, MIXING SCHEME, MIXTURES, NONELECTROLYTES, normalized cross fluctuations, PERCOLATION, PRESSURES, TERT-BUTANOL, THERMAL EXPANSIVITIES, TRANSITION, vapor pressures, VOLUMES, WATER-RICH REGION},
	isbn = {0095-9782},
	url = {<Go to ISI>://000083241900003},
	author = {To, E. C. H. and Davies, J. V. and Tucker, M. and Westh, P. and Trandum, C. and Suh, K. S. H. and Koga,Yoshikata}
}
@article {4618,
	title = {Magnetic susceptibility of aqueous tert-butanol},
	journal = {Physical Chemistry Chemical Physics},
	volume = {1},
	number = {1},
	year = {1999},
	note = {ISI Document Delivery No.: 179VLTimes Cited: 5Cited Reference Count: 27},
	month = {Jan},
	pages = {133-135},
	type = {Article},
	abstract = {Magnetic susceptibilities of aqueous tert-butanol were measured by the external double reference NMR method of Momoki and Fukazawa.(1,2) Reflecting a non-ideal volumetric behaviour of this mixture the volume susceptibility data shows a large non-ideal composition dependence. On the other hand, the molar magnetic susceptibility exhibits a small but finite deviation from ideality. Thus, an intra-molecular property, diamagnetic susceptibility, is not completely free from the effect of a non-ideal molecular arrangement in the mixture.},
	keywords = {2-BUTOXYETHANOL, 25-DEGREES-C, ALCOHOL-SOLUTIONS, BUTYL ALCOHOL, COMPRESSIBILITIES, EXTERNAL REFERENCING METHOD, MIXTURES, NONELECTROLYTES, PARTIAL MOLAR ENTHALPIES, REGION, WATER-RICH},
	isbn = {1463-9076},
	url = {<Go to ISI>://000079350200019},
	author = {Mizuno, K. and Ochi, T. and Shimada, S. and Nishimura, Y. and Maeda, S. 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 {4422,
	title = {Intermolecular interactions in tert-butyl alcohol dimethyl sulfoxide H2O: Chemical potentials, partial molar entropies and volumes},
	journal = {Journal of Physical Chemistry B},
	volume = {102},
	number = {26},
	year = {1998},
	note = {ISI Document Delivery No.: ZY137Times Cited: 13Cited Reference Count: 28},
	month = {Jun},
	pages = {5182-5195},
	type = {Article},
	abstract = {The excess chemical potentials, the excess partial molar entropies, and the partial molar volumes in tert-butyl alcohol (TBA)-dimethyl sulfoxide (DMSO)-H2O mixtures were determined. These data, together with previously published excess partial molar enthalpies (Fluid Phase Equilib. 1997, 136, 207) were used to evaluate intermolecular interactions. The TBA-TBA and TBA-DMSO, and DMSO-DMSO interactions were found to be crucially dependent on the composition. The net interaction in terms of chemical potential is very intricate. For example, net interactions of DMSO with a hydrophobic moiety (represented here by TEA) change from attractive to repulsive as the composition changes. This suggests that general discussions of the affinity of DMSO for nonpolar groups (or surfaces) are meaningful only by specifying the composition region. The interactions in terms of enthalpy and entropy are an order of magnitude larger and strongly compensating. Anomalous changes in the enthalpic/entropic interactions and hence qualitative changes in the mixing scheme of the solution, previously described in respective binary TBA-H2O and DMSO-H2O systems, are also apparent in this ternary system. II was found that as the mole fraction, x(D), of DMSO (third component) increases, the transition in mixing scheme occurred at a progressively lower value of x(B). The behavior of partial molar volume indicated that as x(B) increases, the initial increase in the partial molar volume of H2O on increasing x(D), reminiscent to "iceberg formation", diminished. This suggests that existing TEA molecules already made their contribution to the "iceberg formation". The DMSO-DMSO interaction in terms of volume also showed that the transition occurred at a smaller value of x(D) than that for x(B) = 0. The boundary between the two mixing schemes in the present ternary mixture was a straight line in the x(D)-x(B) field, suggesting that the effect of TEA and DMSO on H2O, causing the transition in the mixing scheme, is additive.},
	keywords = {AQUEOUS-SOLUTIONS, ENTHALPIES, HYDROPHOBIC INTERACTION, MIXING SCHEME, MIXTURES, NONELECTROLYTES, NONPOLAR SOLUTE PARTICLES, PERCOLATION, TRANSITION, WATER-RICH REGION},
	isbn = {1089-5647},
	url = {<Go to ISI>://000074590000026},
	author = {Trandum, C. and Westh, P. and Haynes, C. A. and Koga,Yoshikata}
}
@article {4441,
	title = {Theory of ion solvation dynamics in mixed dipolar solvents},
	journal = {Journal of Chemical Physics},
	volume = {109},
	number = {8},
	year = {1998},
	note = {ISI Document Delivery No.: 114ZNTimes Cited: 38Cited Reference Count: 32},
	month = {Aug},
	pages = {3222-3231},
	type = {Article},
	abstract = {Time dependent density functional theory in its "extended linear" or "surrogate" form is used to investigate the dynamics of selective ion solvation in binary dipolar solvents. It is shown that simple analytical approximations that trap the basic physics of the solvation process can be obtained. In particular, it is found that the relaxation of:the solvent number densities about a charged solute is governed by two distinct modes clearly associated with electrostriction and redistribution processes. This is consistent with the physical picture suggested by molecular dynamics (MD) simulations. The solvent polarization relaxation is also dominated by two modes associated with the-two rotational diffusion constants of the binary solvent. In addition to the analytical approximations, full numerical solutions of the extended linear theory are obtained and the dependence of the relaxation on solvent density and solute charge is discussed. Detailed comparisons of the theory with MD simulations for a closely related model indicate that the theory is qualitatively correct, but quantitatively poor generally predicting relaxation rates which are too fast. This is due mainly to the neglect of inertial or non-Markovian effects in the theoretical approach. (C) 1998 American Institute of Physics. [S0021-9606(98)50132-8]},
	keywords = {COLLECTIVE ORIENTATIONAL RELAXATION, DIELECTRIC-RELAXATION, ELECTROLYTE-SOLUTIONS, HARD-SPHERES, INVARIANT EXPANSION, LIQUIDS, MEAN, MIXTURES, MOLECULAR THEORY, ORNSTEIN-ZERNIKE EQUATION, SPHERICAL MODEL},
	isbn = {0021-9606},
	url = {<Go to ISI>://000075639200032},
	author = {Yoshimori, A. and Day, T. J. F. and Patey, G. N.}
}
@article {4114,
	title = {Analysis of single and multiple quantum NMR spectra of 1,3-dichloro-2-ethenylbenzene in liquid crystal solvents},
	journal = {Molecular Physics},
	volume = {90},
	number = {4},
	year = {1997},
	note = {ISI Document Delivery No.: WN909Times Cited: 10Cited Reference Count: 37},
	month = {Mar},
	pages = {541-551},
	type = {Article},
	abstract = {The single and multiple quantum NMR spectra of 1,3-dichloro-2-ethenylbenzene as solute in two different nematic liquid crystals have been measured and analysed in terms of dipolar couplings and chemical shift differences. Because the single quantum spectra did not yield to straightforward analysis, normal and frequency selective multiple quantum experiments were used to aid the analysis. The results from four spectra were combined to yield structural information and the order matrix in each solution. The structure of the ring is very close to that of 1,3-dichlorobenzene, and that of the ethenyl group very close to that of ethenyl-benzene. The dihedral angle between the ethenyl group and the aromatic ring is found to be 454 +/- 1.0 degrees, and the C-CC=C angle is found to be 127.3 +/- 0.3 degrees.},
	keywords = {EQUILIBRIUM, FIELD, MAGNETIC-RESONANCE, MIXTURES, MOLECULAR-STRUCTURE, orientational order, ROTATION, SHAPE, SOLUTES, SPECTROSCOPY},
	isbn = {0026-8976},
	url = {<Go to ISI>://A1997WN90900005},
	author = {Rendell, J. C. T. and Burnell, E. E.}
}
@article {4155,
	title = {Intermolecular interactions of lysozyme and small alcohols: A calorimetric investigation},
	journal = {Journal of Physical Chemistry B},
	volume = {101},
	number = {29},
	year = {1997},
	note = {ISI Document Delivery No.: XM058Times Cited: 23Cited Reference Count: 34},
	month = {Jul},
	pages = {5755-5758},
	type = {Article},
	abstract = {Isothermal titration calorimetry was used to measure transfer enthalpies of hen egg white lysozyme from water to aqueous solutions of methanol, ethanol, 1-propanol, glycerol, and 2,2,2-trifluoroethanol. Excess partial molar enthalpies of lysozyme at infinite dilution in the alcoholic solvents, H-infinity(L)E, were calculated, and the dependence of H-infinity(L)E on the concentration of the alcohol, was utilized to elucidate the enthalpy of alcohol-protein interactions. Results show that, at low alcohol concentrations, alcohol-protein interactions are unfavorable in terms of enthalpy (endothermic), while at higher concentrations they are favorable (exothermic). The change from endothermic to exothermic interactions happened sharply over a narrow alcohol concentration interval, and was found to occur concurrently with denaturation of the protein in some but not all cases. Comparison of the present results with previous investigations of simple binary and ternary aqueous solutions suggests that the change of sign of the interaction enthalpy is related to the water-water hydrogen bonding properties in the alcohol mixtures. It is argued that modifications by the alcohol of the percolated hydrogen bond network govern the enthalpy of alcohol-lysozyme interactions in the most water-rich samples. This suggests that occupancy by the alcohol of a binding site on the surface of the protein may not be necessary for the alcohol to affect the properties of the protein. At higher alcohol concentrations the observed interaction enthalpies are dominated by direct ({\textquoteright}{\textquoteright}intrinsic{\textquoteright}{\textquoteright}) effects of protein-alcohol interactions, which are exothermic.},
	keywords = {25-DEGREES-C, ENERGIES, GLOBULAR-PROTEINS, INDUCED REVERSIBLE DENATURATION, MIXTURES, MONOHYDRIC ALCOHOLS, STABILIZATION, THERMODYNAMIC INVESTIGATIONS, TRIFLUOROETHANOL, VAPOR-PRESSURES, WATER},
	isbn = {1089-5647},
	url = {<Go to ISI>://A1997XM05800021},
	author = {Westh, P. and Koga,Yoshikata}
}
@article {4115,
	title = {Orientational order of 1,3-dichloro-2-ethenylbenzene in liquid crystal solvents},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {75},
	number = {8},
	year = {1997},
	note = {ISI Document Delivery No.: XX043Times Cited: 2Cited Reference Count: 38},
	month = {Aug},
	pages = {1156-1161},
	type = {Article},
	abstract = {The order parameter matrices of a molecule that has no symmetry, 1,3-dichloro-2-ethenylbenzene, dissolved in two different nematic liquid-crystal solvents are analyzed in terms of various models for the intermolecular mean-field potential. In a mixture of liquid crystals for which the interaction between the molecular quadrupole moment tensor and the average electric field gradient of the nematic solvent has been minimized, the orientational order is best described by models for the short-range anisotropic potential. The most successful potentials are written in terms of anisotropic interactions between the solute surface and the liquid-crystal mean field. This represents a strong test of such models because they simultaneously fit the five independent orientational parameters obtained from the same solute, thus removing the problems associated with comparing results among different solutes in either the same or a different sample tube.},
	keywords = {ALKYL CHAINS, ANISOTROPIC, FIELD, INTERMOLECULAR FORCES, liquid crystals, MAGNETIC-RESONANCE, MIXTURES, MOLECULES, NEMATIC SOLVENT, NMR, order parameters, PHASES, SHAPE, SOLUTES},
	isbn = {0008-4042},
	url = {<Go to ISI>://A1997XX04300014},
	author = {Rendell, J. C. T. and Zimmerman, D. S. and vanderEst, A. J. and Burnell, E. E.}
}
@article {3848,
	title = {Intermolecular interactions in 2-butoxyethanol-DMSO-H2O},
	journal = {Journal of Physical Chemistry},
	volume = {100},
	number = {1},
	year = {1996},
	note = {ISI Document Delivery No.: TN839Times Cited: 15Cited Reference Count: 23},
	month = {Jan},
	pages = {433-438},
	type = {Article},
	abstract = {Excess partial molar enthalpy, H-B(E), and chemical potential, mu(B)(E), of 2-butoxyethanol (B) were determined in ternary mixtures of B, dimethyl sulfoxide (D), and H2O. The data were obtained in small enough mole fraction increments to evaluate the so-called interaction functions, partial derivative H-B(E)/partial derivative x(B), partial derivative H-B(E)/partial derivative x(D), partial derivative mu(B)(E)/partial derivative x(B), and partial derivative mu(B)E/partial derivative x(D). These interaction functions previously proved useful in elucidating the {\textquoteright}{\textquoteright}mixing schemes{\textquoteright}{\textquoteright} in binary aqueous solutions of B and D. For the binary mixtures, it was found that both B and D influenced H2O in the following manner: in the water-rich composition range (region I) within a certain threshold (x(B) < 0.0175 and x(D) < 0.28 at 25 degrees C), both solutes enhance the hydrogen-bonded network of water in their vicinity, and the mixtures retain the percolated nature of the network. At higher B or D concentrations (region II) a qualitatively different mixing scheme becomes operative. The results from this work suggest that, in the ternary mixtures, solute B and D influences the percolated hydrogen bond network of water competitively or cooperatively. The observed effects are in accordance with those characteristic of mixing scheme I in the binary mixtures, as long as the concentration of both solutes is within the threshold values. When either one of the solutes is concentrated beyond its threshold, mixing scheme II seems to set in. It was found that D diminished the positive (unfavorable) enthalpy of B-B interactions and that this effect was almost completely compensated by changes in interaction entropy. Hence, D had little net effect on the Gibbs energy of mutual B interactions, or in other words, D did not weaken the hydrophobic attraction between B molecules. Evaluation of {\textquoteright}{\textquoteright}heterogeneous{\textquoteright}{\textquoteright} B-D interactions in region I suggested that they were weaker than B-B interactions and governed by reorganization of water-water hydrogen bonding rather than interactions between specific groups in B and D. Some implications of these findings on cosolvent effects in aqueous solutions of biopolymers are discussed.},
	keywords = {AQUEOUS 2-BUTOXYETHANOL, denaturation, DIMETHYL-SULFOXIDE, LYSOZYME, MIXING SCHEME, MIXTURES, NEUTRON-DIFFRACTION, PARTIAL MOLAR ENTHALPIES, VOLUMES, WATER-RICH REGION},
	isbn = {0022-3654},
	url = {<Go to ISI>://A1996TN83900065},
	author = {Westh, P. 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 {3630,
	title = {A multiple-quantum H-1 NMR study of conformational biasing of biphenyl in a nematic liquid crystal},
	journal = {Journal of Magnetic Resonance Series A},
	volume = {118},
	number = {2},
	year = {1996},
	note = {ISI Document Delivery No.: TZ082Times Cited: 24Cited Reference Count: 42},
	month = {Feb},
	pages = {264-271},
	type = {Article},
	abstract = {Multiple-quantum H-1 NMR spectroscopy was used to simplify the analysis of the complicated one-quantum spectrum of the 10-spin molecule biphenyl dissolved in a nematic solvent. An eight-quantum spectrum was analyzed to obtain estimates of all dipolar coupling constants and chemical shifts, which were used as a starting point to solve the one-quantum spectrum, The dipolar couplings from the one-quantum spectrum were used, in combination with those determined in a previous study using different liquid-crystal solvents, to obtain vibrationally corrected geometrical parameters and orientational order parameters, The effective internal rotational potential was found to be shifted slightly toward a more planar configuration relative to the gas-phase potential, with an equilibrium dihedral angle of 37 degrees. (C) 1996 Academic Press, Inc.},
	keywords = {BARRIER, DERIVATIVES, GASEOUS, INTERNAL-ROTATION, MIXTURES, MOLECULAR-STRUCTURE, PERDEUTERATED BIPHENYL, SOLVENTS, SPECTRA, SPECTROSCOPY, STATE},
	isbn = {1064-1858},
	url = {<Go to ISI>://A1996TZ08200013},
	author = {Chandrakumar, T. and Polson, J. M. and Burnell, E. E.}
}
@article {3860,
	title = {Study of a commercial SiO2 sol and gel by small angle x-ray scattering: Effect of sample thickness and interpretation by means of smoluchowski scheme},
	journal = {Clays and Clay Minerals},
	volume = {44},
	number = {2},
	year = {1996},
	note = {ISI Document Delivery No.: UL994Times Cited: 4Cited Reference Count: 35},
	month = {Apr},
	pages = {197-213},
	type = {Article},
	abstract = {Ludox HS SiO2 sols at high concentrations show a peak in small angle x-ray scattering (SAXS) reminiscent to a {\textquoteright}{\textquoteright}structure.{\textquoteright}{\textquoteright} The appearance of such a peak was found to depend crucially on the thickness of the sample cell used for SAXS measurements. The thinner the cell used, the more prominent the peak. When the thickness was larger than 2 mm, it was no longer observable. When sols were treated with activated charcoal powders (in order to remove a surfactant) the peak became less prominent. For the cases where clear features for structure were absent (thick sample regime), the Smoluchowski scheme was utilized to study the nature of sols. Namely, the distribution of the Smoluchowski species were estimated by numerically calculating the size distribution of particles directly from SAXS data. The distribution was found basically bimodal, and the main distribution peak, particularly for dilute sols (less than 5 wt\%), was consistent with primary particles of SiO2. The second distribution peak was strongly dependent on the concentration of SiO2 particles. The observed trend was that the higher the concentration of SiO2 particles, the more prominent the second distribution peak and the locus of the maximum tended to move toward a smaller value in diameter. This behavior of the second distribution peak of the Smoluchowski species is no doubt a manifestation of the interparticle correlation. The observation of such behavior may provide a convenient means to characterize sols with interparticle correlation. This method was also applied for characterizing gels formed when the pH values were altered.},
	keywords = {COLLOIDAL SILICA, dependence of sample thickness, Ludox HS SiO2, MIXTURES, MULTIPLE-SCATTERING, NEUTRON-SCATTERING, SAXS, SCHEME, Smoluchowski, STABILITY, structure in sol, SYSTEMS, WATER},
	isbn = {0009-8604},
	url = {<Go to ISI>://A1996UL99400005},
	author = {Xu, Y. N. and Hiew, P. L. and Klippenstein, M. A. and Koga,Yoshikata}
}
@article {3402,
	title = {IONIC-CONDUCTIVITY IN THE WATER-RICH REGION OF AQUEOUS 2-BUTOXYETHANOL},
	journal = {Canadian Journal of Chemistry-Revue Canadienne De Chimie},
	volume = {73},
	number = {8},
	year = {1995},
	note = {ISI Document Delivery No.: RZ492Times Cited: 4Cited Reference Count: 22},
	month = {Aug},
	pages = {1294-1297},
	type = {Article},
	abstract = {Ionic conductivities of HCl, KOH, and KCl were measured in aqueous solutions of 2-butoxyethanol (BE) at 25 degrees C. The quantity, Lambda(j){\textquoteright} = sigma/x(j), which is almost proportional to the molar conductivity, was extrapolated to the infinite dilution x(j) {\textendash}> 0. sigma is the conductivity and x(j) is the mole fraction of j(= HCl, KOH, or KCl). The plots of (0) Lambda(j){\textquoteright}, the value of Lambda(j){\textquoteright} extrapolated to infinite dilution, against x(BE) showed a change in slope at x(BE) = 0.0175. The previous work from this laboratory indicated that the mixing scheme changes qualitatively at the same locus, x(BE) = 0.0175. By mixing scheme we simply mean the way in which BE and H2O molecules mix with each other. Assuming additivity in (0)h(j){\textquoteright} in terms of constituent ions, those values for H+OH- were calculated. Plots of (0) Lambda(H+OH-){\textquoteright} thus calculated as a function of x(BE) in the water-rich region, 0 < x(BE) < 0.0175, suggest that the hydrogen bond probability decreases in the bulk of solution, as x(BE) increases.},
	keywords = {AQUEOUS 2-BUTOXYETHANOL, BOND NETWORK, HYDROGEN, IONIC CONDUCTIVITIES, MIXING SCHEME, MIXING SCHEMES, MIXTURES, PARTIAL MOLAR ENTHALPIES, SCATTERING, TRANSITION, VOLUMES},
	isbn = {0008-4042},
	url = {<Go to ISI>://A1995RZ49200008},
	author = {Koga,Yoshikata and Loo, V. J. and Puhacz, K. T.}
}
@article {3403,
	title = {Speeds of sound and isothermal compressibilities in the water-rich region of aqueous 2-butoxyethanol and 2-butanone at 25 degrees C},
	journal = {Journal of Solution Chemistry},
	volume = {24},
	number = {11},
	year = {1995},
	note = {ISI Document Delivery No.: TV702Times Cited: 8Cited Reference Count: 25},
	month = {Nov},
	pages = {1125-1133},
	type = {Article},
	abstract = {Speeds of sound were measured at 25 degrees C in the water-rich region of aqueous 2-butoxyethanol (BE) and 2-butanone (BUT). Density, heat capacity, and thermal expansivity data available in literature were used to calculate isothermal compressibilities, kappa(T). The composition derivative, N(partial derivative kappa(T)/partial derivative n(B)), a third derivative of Gibbs free energy, showed a peak anomaly at x(BE) = 0.0175 for BE-H2O, and bend at x(BUT) = 0.033 for BUT-H2O. n(B) (n(BE) or n(BUT)) is the amount of the solute and x(BE) and x(BUT) are the respective mole fractions. The location of these anomalies were the same as those of other third derivatives found earlier for the same aqueous solutions. These anomalies were shown earlier to mark the transition point across which the mixing scheme changes in a qualitative fashion.},
	keywords = {2-BUTANONE, 2-BUTOXYETHANOL, anomaly in the third derivative, aqueous solutions, ENTHALPIES, HEAT-CAPACITIES, isothermal compressibility, MIXING SCHEME, MIXTURES, of mixing scheme, PARTIAL MOLAR VOLUMES, RANGE, speed of sound, SYSTEMS, TRANSITION},
	isbn = {0095-9782},
	url = {<Go to ISI>://A1995TV70200004},
	author = {Koga,Yoshikata and Tamura, K. and Murakami, S.}
}
@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 {3078,
	title = {MIXING SCHEMES AND LIQUID-SOLID PHASE-DIAGRAM IN THE WATER-RICH REGION OF AQUEOUS 2-BUTOXYETHANOL},
	journal = {Bulletin of the Chemical Society of Japan},
	volume = {67},
	number = {9},
	year = {1994},
	note = {ISI Document Delivery No.: PM797Times Cited: 11Cited Reference Count: 28},
	month = {Sep},
	pages = {2393-2397},
	type = {Article},
	abstract = {Liquid-solid phase diagram was determined in the water-rich region of aqueous 2-butoxyethanol. A solid addition compound was suggested with the composition x(BE)add = 0.0260, which melts incongruently at 269.5 K. The mixing scheme boundary separating two regions in the single liquid phase domain (Chem. Phys. Lett., 217, 245 (1994) was found to cross the incongruent melting point of the above solid addition compound.},
	keywords = {BEHAVIOR, COEFFICIENTS, LIGHT-SCATTERING, MIXTURES, PARTIAL MOLAR ENTHALPIES, TEMPERATURES, TRANSITION, VOLUMES},
	isbn = {0009-2673},
	url = {<Go to ISI>://A1994PM79700008},
	author = {Koga,Yoshikata and Tanaka, T. and Atake, T. and Westh, P. and Hvidt, A.}
}
@article {2846,
	title = {EXCESS PARTIAL MOLAR VOLUMES OF (XCH3(CH2)3O(CH2)2OH+(1-X)H2O) IN THE WATER-RICH REGION},
	journal = {Journal of Chemical Thermodynamics},
	volume = {25},
	number = {1},
	year = {1993},
	note = {ISI Document Delivery No.: KH149Times Cited: 30Cited Reference Count: 14},
	month = {Jan},
	pages = {51-56},
	type = {Article},
	keywords = {2-BUTOXYETHANOL, 25-DEGREES-C, MIXTURES, MODEL},
	isbn = {0021-9614},
	url = {<Go to ISI>://A1993KH14900006},
	author = {Koga,Yoshikata and Kristiansen, J. and Hvidt, A.}
}
@article {2921,
	title = {MOLECULAR-SOLVENT MODEL FOR AN ELECTRICAL DOUBLE-LAYER - ASYMMETRIC SOLVENT EFFECTS},
	journal = {Journal of Physical Chemistry},
	volume = {97},
	number = {49},
	year = {1993},
	note = {ISI Document Delivery No.: ML667Times Cited: 25Cited Reference Count: 36},
	month = {Dec},
	pages = {12909-12918},
	type = {Article},
	abstract = {Previous reference hypernetted-chain theoretical results for electrical double layers using a multipolar solvent with tetrahedral geometry are extended here to a more accurate water model having only C2v symmetry. This model exhibits a net polarization at a flat uncharged surface with the positive end of the dipoles inclined into the fluid; the resulting surface potential is compared with both computer simulation and experimental results for the free surface of liquid water. This model also responds differently to positively and negatively charged surfaces, both with and without electrolyte. This leads to an asymmetry in the differential capacitance of the electrical double layer.},
	keywords = {APPROXIMATION, AQUEOUS-ELECTROLYTE SOLUTIONS, CHARGED SURFACES, HARD-SPHERES, LIQUID VAPOR INTERFACE, MIXTURES, ORIENTATIONAL STRUCTURE, PROPERTIES, SIMULATION, THERMODYNAMIC, WATER},
	isbn = {0022-3654},
	url = {<Go to ISI>://A1993ML66700045},
	author = {Torrie, G. M. and Patey, G. N.}
}
@article {7285,
	title = {TRANSITION OF MIXING SCHEME IN THE WATER-RICH REGION OF AQUEOUS 2-BUTOXYETHANOL - PARTIAL MOLAR VOLUMES AND THEIR DERIVATIVES},
	journal = {Journal of Physical Chemistry},
	volume = {96},
	number = {25},
	year = {1992},
	note = {ISI Document Delivery No.: KC007Times Cited: 30Cited Reference Count: 12},
	month = {Dec},
	pages = {10466-10468},
	type = {Article},
	abstract = {The mixing scheme boundary proposed in paper 1 (J. Phys. Chem. 1990, 94, 3879) was extended to high temperatures. Using the data of the excess partial molar volumes in aqueous solutions of 2-butoxyethanol (BE), V(m)E(i) (i = BE or H2O), reported in paper 2 (J. Chem. Thermodyn., in press), the composition derivatives of V(m)E(BE), (partial derivative V(m)(BE)/partial derivative n(BE))n(W), were calculated. n(BE) and n(W) are the amounts of BE and H2O in solution, respectively. It was found that these derivatives showed peak anomalies at the same loci of the mixing scheme boundary. In the water-rich region below the boundary, the behavior of the partial molar volumes and their derivatives was explained in a consistent manner as presented in previous papers (Can. J. Chem. 1989, 67, 67 1; J. Phys. Chem. 1990, 94, 3879; J. Phys. Chem. 1991, 95, 4119). We took into account three effects on V(m)E(BE): (1) the size difference between BE and W molecules; (2) the packing density of solvent H2O; (3) the progressive enhancement of the hydrogen-bond network of H2O as the concentration of BE increases.},
	keywords = {25-DEGREES-C, MIXTURES, MODEL},
	isbn = {0022-3654},
	url = {<Go to ISI>://A1992KC00700064},
	author = {Koga,Yoshikata}
}
@article {7108,
	title = {A UNIFORM WKB ANALYSIS OF THE COUPLING OF ELECTRON-ATTACHMENT AND THERMALIZATION IN GASES},
	journal = {Journal of Physics B-Atomic Molecular and Optical Physics},
	volume = {24},
	number = {13},
	year = {1991},
	note = {ISI Document Delivery No.: FX594Times Cited: 11Cited Reference Count: 44},
	month = {Jul},
	pages = {2909-2923},
	type = {Article},
	abstract = {The presence of small amounts of strongly electronegative gases such as SF6 and CCl4 can greatly perturb from equilibrium the electron energy distribution function in a variety of electron devices. The effect of the addition of these electron attaching gases on the relaxation behaviour of a non-equilibrium electron distribution is studied with a linear Fokker-Planck equation. The time dependence of the electron mobility as well as other transport properties can be expressed as a sum of exponential terms with each term characterized by an eigenvalue of the Fokker-Planck operator. This eigenvalue problem can be transformed to a Schrodinger equation with a potential function parametrized by the electron-atom cross sections, the electric field strength and the gas temperature. In the present paper, the eigenvalues and eigenfunctions are calculated with a WKB semiclassical approximation and compared with exact results. The application of the WKB approximation provides a useful way to calculate these strongly perturbed distributions. The specific applications in this paper are for the relaxation of electrons in the inert gases in the presence of small amounts of SF6 or CCl4.},
	keywords = {CROSS-SECTIONS, DISCHARGES, FOKKER-PLANCK EQUATION, MIXTURES, MODERATORS, RARE, relaxation, SF6, SWARM DEVELOPMENT, TRANSPORT-COEFFICIENTS},
	isbn = {0953-4075},
	url = {<Go to ISI>://A1991FX59400007},
	author = {Shizgal, B.}
}
