@inbook {2380, title = {Compact Collision Kernels for Hard Sphere and Coulomb Cross Sections; Fokker-Planck Coefficients}, booktitle = {Rarefied Gas Dynamics}, series = {Aip Conference Proceedings}, volume = {1084}, year = {2009}, note = {ISI Document Delivery No.: BJF97Times Cited: 0Cited Reference Count: 26Chang, Yongbin Shizgal, Bernie D.Proceedings Paper26th International Symposium on Rarefied Gas Dynmaics (RGD26)JUN 20-JUL 25, 2008Kyoto, JAPANJapan Soc Promot Sci, Japan Aerpspace Explorat Agcy, Soc Promot Space Sci, Iwantani Naoji Fdn, Inoue Fdn Sci, Casio Sci Promot Fdn, Kaijma Fdn, IHI Corp, IHI Aerospac Engn Co Ltd, Osaka Vaccuun Ltd, Nissin Inc2 HUNTINGTON QUADRANGLE, STE 1NO1, MELVILLE, NY 11747-4501 USA}, pages = {140-145}, publisher = {Amer Inst Physics}, organization = {Amer Inst Physics}, address = {Melville}, abstract = {A compact collision kernel is derived for both hard sphere and Coulomb cross sections. The difference between hard sphere interaction and Coulomb interaction is characterized by a parameter eta. With this compact collision kernel, the calculation of Fokker-Planck coefficients can be done for both the Coulomb and hard sphere interactions. The results for arbitrary order Fokker-Planck coefficients are greatly simplified. An alternate form for the Coulomb logarithm is derived with concern to the temperature relaxation in a binary plasma.}, keywords = {Boltzmann collision term, collision frequency, cross, cut-off, EIGENVALUES, Fokker-Planck coefficients, GAS, Kernel, relaxation, SCATTERING, section, temperature relaxation}, isbn = {0094-243X978-0-7354-0615-5}, url = {://000265564800022}, author = {Chang, Y. B. and Shizgal, B. D.}, editor = {Abe, T.} } @article {1283, title = {Nonequilibrium distribution functions for general rigid bodies in axially symmetric environments}, journal = {Physical Review A}, volume = {72}, number = {3}, year = {2005}, note = {ISI Document Delivery No.: 969IRTimes Cited: 0Cited Reference Count: 20}, month = {Sep}, pages = {10}, type = {Article}, abstract = {A vector rho is introduced in such a manner that the equilibrium rotational distribution function for a general rigid body has a simple quadratic form both from a body-fixed and space-fixed frame of reference. It is shown that when considering nonequilibrium distribution functions, representations employing the components of rho generalize more easily than those employing the components of the angular momentum or angular velocity, and lead to forms with greater accuracy. The behavior of rho and its relation to the angular momentum of the system is explored in some detail. Comparisons are made with distribution functions generated from molecular dynamics simulations of H2O+ drifting in a helium bath gas under the influence of a uniform electric field.}, keywords = {ALIGNMENT, COLLISION CROSS-SECTIONS, HELIUM, IONS, MOBILITIES, MOLECULAR-DYNAMICS, POTENTIAL-ENERGY SURFACES, ROTATIONAL, SCATTERING, SUPERSONIC EXPANSIONS, VELOCITY}, isbn = {1050-2947}, url = {://000232228300102}, author = {Thachuk, M.} } @article {346, title = {Collision-induced alignment of NO+ drifting in argon: Calculated distribution functions and microscopic quadrupole alignment parameters}, journal = {Journal of Chemical Physics}, volume = {116}, number = {15}, year = {2002}, note = {ISI Document Delivery No.: 537PGTimes Cited: 5Cited Reference Count: 32}, month = {Apr}, pages = {6605-6613}, type = {Article}, abstract = {Molecular dynamics simulations of NO+ drifting in argon are presented. In this system, the ion-bath gas mass ratio is close to but less than unity, thus increasing the importance of inelastic collisions. Strong velocity-angular momentum coupling is found, and in particular the quadrupolar alignment parameter as a function of the velocity parallel with the field takes on, with decreasing velocities, values that start as negative, become positive, and subsequently decay toward negative. To the best of our knowledge, this is the first report of the decay of this alignment towards negative values at the low end of the velocity distribution. The accuracy of an approximate distribution function [R. Baranowski and M. Thachuk, Phys. Rev. A 63, 032503 (2001)] is also examined in detail. It is found to give results that are generally qualitatively correct, and for many properties, semiquantitatively correct as well. The agreement, however, is not as good as that found for systems with ion-bath gas ratios greatly exceeding unity. (C) 2002 American Institute of Physics.}, keywords = {AR-NO+, ATOMIC GASES, EXPANSIONS, ION MOBILITY SPECTROMETRY, MOLECULAR-DYNAMICS, ROTATIONAL ALIGNMENT, SCATTERING, SUPERSONIC, SURFACES, TRANSPORT, VELOCITY DISTRIBUTIONS}, isbn = {0021-9606}, url = {://000174767200023}, author = {Chen, X. and Araghi, R. and Baranowski, R. and Thachuk, M.} } @article {453, title = {Dielectric relaxation of chained ferrofluids}, journal = {Journal of Chemical Physics}, volume = {116}, number = {15}, year = {2002}, note = {ISI Document Delivery No.: 537PGTimes Cited: 13Cited Reference Count: 18}, month = {Apr}, pages = {6731-6737}, type = {Article}, abstract = {Molecular and Brownian dynamics simulations are used to investigate the frequency-dependent dielectric relaxation of ferrofluids, with the objective of identifying features characteristic of dipolar chain formation at low densities. It is shown that the presence of chains gives rise to a high frequency band associated with the vibrational motion of dipoles within the chains. This band serves as a "signature" of association and is not present in dipolar fluids at higher, liquid-like densities. A simple theory that traps the basic features of the relaxation behavior is also presented. (C) 2002 American Institute of Physics.}, keywords = {FLUIDS, PHASE, SCATTERING, SIMULATION, SPHERES}, isbn = {0021-9606}, url = {://000174767200039}, author = {Murashov, V. V. and Camp, P. J. and Patey, G. N.} } @article {5007, title = {Analysis of physical observables and approximate distribution functions for drifting linear ions}, journal = {Physical Review A}, volume = {64}, number = {6}, year = {2001}, note = {ISI Document Delivery No.: 500CKTimes Cited: 3Cited Reference Count: 22}, month = {Dec}, pages = {13}, type = {Article}, abstract = {The accuracy of two recently proposed approximate distribution functions for drifting linear ions [R. Baranowski and M. Thachuk, Phys. Rev. A 63, 032503 (2001) is tested at a number of levels of microscopic detail. Through formal mathematical manipulations. low-order expressions are derived for a number of physical observables, including the angular momentum dependence of the drift velocity, and parallel and perpendicular translational temperatures. as well as the dependence of the quadrupolar alignment parameter on the parallel and perpendicular velocity components. Finally, comparisons are made between the approximate forms and basis set expansions of the distribution function utilized in formal solutions of the Boltzmann equation, with the goal of suggesting general features of these basis sets that might help improve convergence.}, keywords = {ATOMIC GASES, COLLISIONAL ALIGNMENT, DYNAMICS, MOLECULES, ROTATIONAL ALIGNMENT, SCATTERING, SUPERSONIC EXPANSIONS, SYSTEMS, TRANSPORT-COEFFICIENTS, VELOCITY DISTRIBUTIONS}, isbn = {1050-2947}, url = {://000172608200050}, author = {Baranowski, R. and Thachuk, M.} } @article {5008, title = {Simple analytic form for the velocity-angular-momentum distribution function of drifting linear ions}, journal = {Physical Review A}, volume = {63}, number = {3}, year = {2001}, note = {ISI Document Delivery No.: 408HPTimes Cited: 6Cited Reference Count: 21}, month = {Mar}, pages = {12}, type = {Article}, abstract = {A simple analytic form is presented for the full velocity-angular-momentum distribution function for gasphase linear ions drifting in an atomic bath gas under a constant external electric field. Predictions of temperatures, drift velocities, and alignment parameters from this form are compared in detail against molecular-dynamics calculations for NO+ drifting in helium. The form is accurate, compact, and based upon a physically motivated expansion. In essence, simple Maxwellian-like functions are generalized by allowing appropriate temperatures to become functions of velocity and rotational ang;lar momentum. Over a wide range of reduced field strengths, including the equilibrium state, this form is able to account accurately for many properties at a microscopic level with only a few adjustable parameters.}, keywords = {ATOMIC GASES, COLLISIONAL ALIGNMENT, DYNAMICS, MOLECULES, ROTATIONAL ALIGNMENT, SCATTERING, SUPERSONIC EXPANSIONS, SWARM, TRANSPORT-COEFFICIENTS}, isbn = {1050-2947}, url = {://000167321000041}, author = {Baranowski, R. and Thachuk, M.} } @article {4361, title = {Solvable three-boson model with attractive delta-function interactions}, journal = {Physical Review A}, volume = {57}, number = {5}, year = {1998}, note = {ISI Document Delivery No.: ZM869Times Cited: 22Cited Reference Count: 34}, month = {May}, pages = {3317-3329}, type = {Article}, abstract = {A one-parameter solvable model for three bosons subject to delta-function attractive interactions in one dimension with periodic boundary conditions is studied. The energy levels and wave functions are classified and given explicitly in terms of three momenta. In particular, eigenstates and eigenvalues are described as functions of the model parameter c. Some of the states are given in terms of complex momenta and represent dimer or trimer configurations for large negative c. The asymptotic behavior for small and large values of the parameter, and at thresholds between real and complex momenta, is provided. The properties of the potential energy are also discussed.}, keywords = {DYNAMICS, LIPPMANN-SCHWINGER EQUATION, MANY-BODY PROBLEM, ONE DIMENSION, SCATTERING}, isbn = {1050-2947}, url = {://000073584500026}, author = {Muga, J. G. and Snider, R. F.} } @article {3833, title = {Linewidths and shifts of very low temperature CO in He: A challenge for theory or experiment?}, journal = {Journal of Chemical Physics}, volume = {105}, number = {10}, year = {1996}, note = {ISI Document Delivery No.: VF657Times Cited: 35Cited Reference Count: 42}, month = {Sep}, pages = {4005-4014}, type = {Article}, abstract = {The pressure broadening and shifting coefficients for pure rotational transitions of CO in a He bath gas at very low temperatures are calculated from the best available potential energy surfaces, and compared with very recent measurements by M. M. Beaky, T. M. Goyette, and F. C. De Lucia [J. Chem. Phys. 105, 3994 (1996)]. The results obtained for two recent empirical potentials determined from fits to Van der Waals spectra, and for a recent high quality purely ab initio surface, are consistent with one another. The best of the spectroscopic potentials also yields good agreement with high temperature virial coefficients and transport properties. Predictions from all three of these potentials agree with linebroadening and shifting measurements at temperatures above similar to 20 K, but are in substantial disagreement with the measurements at temperatures below 4 K. At present, the source of this discrepancy is not known. (C) 1996 American Institute of Physics.}, keywords = {CARBON-MONOXIDE, FORCES, INFRARED-SPECTRUM, INTERMOLECULAR, MOLECULES, POTENTIAL-ENERGY SURFACE, PRESSURE-BROADENING PARAMETERS, ROTATIONAL-EXCITATION, SCATTERING, SPECTROSCOPY, TRIATOMIC-MOLECULES, VANDERWAALS}, isbn = {0021-9606}, url = {://A1996VF65700013}, author = {Thachuk, M. and Chuaqui, C. E. and LeRoy, R. J.} } @article {3685, title = {Rational design of fiber-optic probes for visible and pulsed-ultraviolet resonance Raman spectroscopy}, journal = {Applied Optics}, volume = {35}, number = {21}, year = {1996}, note = {ISI Document Delivery No.: VA608Times Cited: 16Cited Reference Count: 24OSA 1995 Annual Meeting1995PORTLAND, OROpt Soc Amer}, month = {Jul}, pages = {4086-4095}, type = {Proceedings Paper}, abstract = {The investigated the performance of fiber-optic resonance Raman probes with a series of experiments to determine the working curves of such probes using model analytes and to investigate the effects of absorbing media. A computer model designed to simulate these experiments is presented, and numerical results are found to be in agreement with the experimental data. Design considerations resulting from these studies are discussed, and novel designs for overcoming problems of coupling efficiency, damage threshold, and sensitivity in absorbing samples are presented. These findings are applied to the design of fiber-optic probes for ultraviolet resonance Raman spectroscopy involving nanosecond pulsed-ultraviolet excitation (225 and 266 nm). These probes have been used to collect what is, to our knowledge, the first reported fiber-optic-linked ultraviolet resonance Raman spectra of tryptophan and DNA. (C) 1996 Optical Society of America}, keywords = {AROMATIC-AMINO-ACIDS, EFFECTIVE DEPTH, fiber-optic probes, LASER EXCITATION, numerical modeling of, optical fibers, OPTIMIZATION, Raman spectroscopy, remote Raman, resonance Raman spectroscopy, SCATTERING, sensors, SPECTROSCOPY}, isbn = {0003-6935}, url = {://A1996VA60800014}, author = {Greek, L. S. and Schulze, H. G. and Haynes, C. A. and Blades, M. W. and Turner, R. F. B.} } @article {3685, title = {Rational design of fiber-optic probes for visible and pulsed-ultraviolet resonance Raman spectroscopy}, journal = {Applied Optics}, volume = {35}, number = {21}, year = {1996}, note = {ISI Document Delivery No.: VA608Times Cited: 16Cited Reference Count: 24OSA 1995 Annual Meeting1995PORTLAND, OROpt Soc Amer}, month = {Jul}, pages = {4086-4095}, type = {Proceedings Paper}, abstract = {The investigated the performance of fiber-optic resonance Raman probes with a series of experiments to determine the working curves of such probes using model analytes and to investigate the effects of absorbing media. A computer model designed to simulate these experiments is presented, and numerical results are found to be in agreement with the experimental data. Design considerations resulting from these studies are discussed, and novel designs for overcoming problems of coupling efficiency, damage threshold, and sensitivity in absorbing samples are presented. These findings are applied to the design of fiber-optic probes for ultraviolet resonance Raman spectroscopy involving nanosecond pulsed-ultraviolet excitation (225 and 266 nm). These probes have been used to collect what is, to our knowledge, the first reported fiber-optic-linked ultraviolet resonance Raman spectra of tryptophan and DNA. (C) 1996 Optical Society of America}, keywords = {AROMATIC-AMINO-ACIDS, EFFECTIVE DEPTH, fiber-optic probes, LASER EXCITATION, numerical modeling of, optical fibers, OPTIMIZATION, Raman spectroscopy, remote Raman, resonance Raman spectroscopy, SCATTERING, sensors, SPECTROSCOPY}, isbn = {0003-6935}, url = {://A1996VA60800014}, author = {Greek, L. S. and Schulze, H. G. and Haynes, C. A. and Blades, M. W. and Turner, R. F. B.} } @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 = {://A1995RZ49200008}, author = {Koga,Yoshikata and Loo, V. J. and Puhacz, K. T.} } @article {3432, title = {What determines the structures formed by oxygen at low index surfaces of copper?}, journal = {Progress in Surface Science}, volume = {50}, number = {1-4}, year = {1995}, note = {ISI Document Delivery No.: TL808Times Cited: 25Cited Reference Count: 3515th Biennial Canadian Conference on Surface Science (Surface Canada 95)MAY 25-27, 1995WATERLOO, CANADACanadian Soc Chem, Div Surface Sci, Canadian Assoc Physicists}, month = {Sep-Dec}, pages = {247-257}, type = {Proceedings Paper}, abstract = {This article reviews structural details from tensor LEED analyses for three oxygen on copper surfaces, specifically those designated Cu(11O)-(2x1)-O, Cu(110)-c(6x2)-O and Cu(100)-(2 root 2x root 2)R45 degrees-O. Certain common features are identified and discussed. It appears that these particular structures receive some stability from being able to fit O-Cu-O building blocks, of the sort needed to construct bulk Cu2O, on to the Cu substrates. Each O atom maintains a four-coordinate status, while simultaneously allowing reasonable O-Cu bond lengths. Comparisons are made with other related systems, namely O at Ni and N at Cu surfaces.}, keywords = {chemisorption, CU(110), ENERGY-ELECTRON-DIFFRACTION, INDUCED RECONSTRUCTIONS, LEED ANALYSIS, METAL-SURFACES, SCATTERING}, isbn = {0079-6816}, url = {://A1995TL80800021}, author = {Liu, W. and Wong, K. C. and Zeng, H. C. and Mitchell, K. A. R.} } @article {3168, title = {PROPERTIES OF THE TRANSITION SUPEROPERATOR}, journal = {Canadian Journal of Physics}, volume = {72}, number = {3-4}, year = {1994}, note = {ISI Document Delivery No.: NJ809Times Cited: 2Cited Reference Count: 17}, month = {Mar-Apr}, pages = {152-161}, type = {Article}, abstract = {Two different transition superoperators naturally arise in physical theories. First, there is the abstract transition superoperator that arises in the quantum Boltzmann equation and collision cross sections. Second, there is a transition superoperator that arises in the theory of spectral line broadening. The latter is parameterized by the frequency of the light being observed. At present the standard method of evaluating the effects of transition superoperators is through the use of transition operators. However, the connection between transition superoperators and operators has been the subject of controversy while the diversity of transition superoperators and operators can be confusing. This paper reviews the basic definitions and methods of relating these quantities, exemplifying these properties by using a separable potential with explicit calculations for a particular one-dimensional model. In this way the validity of previously presented abstract mathematical arguments is demonstrated explicitly.}, keywords = {CONTINUOUS-SPECTRUM, ONE DIMENSION, SCATTERING}, isbn = {0008-4204}, url = {://A1994NJ80900010}, author = {Snider, R. F. and Muga, J. G.} } @article {2889, title = {MUONIUM ATOM SPIN-EXCHANGE WITH ALKALI-METAL VAPORS - MU+CS}, journal = {Physical Review A}, volume = {48}, number = {2}, year = {1993}, note = {ISI Document Delivery No.: LQ990Times Cited: 15Cited Reference Count: 77}, month = {Aug}, pages = {1218-1226}, type = {Article}, abstract = {The thermally averaged total electron spin-flip cross sections (sigma(SF)) for Mu-Cs have been measured in a 2 atm N2 moderator at 543, 566, and 643 K using the muon-spin-rotation technique. Within an overall experimental error of +/-15\%, the measured cross sections can be taken as temperature independent, sigma(SF)=39.7+/-6.0 X 10(-16) cm2, though there may be a trend to decreased values at the lower temperatures. This average value is considerably lower than either the early calculated results of Dalgarno and Rudge [Proc. R. Soc. London Ser. A 286, 519 (1965)] or the more recent ones of Cole and Olson [Phys. Rev. A 31, 2137 (1985)] for the corresponding H-Cs collisions, indicating a dramatic isotope effect.}, keywords = {ADDITION-REACTIONS, COLLISIONS, CROSS-SECTIONS, ENERGIES, HYDROGEN-ATOMS, LOW-PRESSURE GASES, MU-SR, RATE CONSTANTS, relaxation, SCATTERING}, isbn = {1050-2947}, url = {://A1993LQ99000046}, author = {Pan, J. J. and Senba, M. and Arseneau, D. J. and Kempton, J. R. and Fleming, Donald G. and Baer, S. and Gonzalez, A. C. and Snooks, R.} } @article {7384, title = {EXCESS PARTIAL MOLAR FREE-ENERGIES, ENTHALPIES, AND ENTROPIES IN 2-BUTANONE-H2O MIXTURES - SOLUTE SOLUTE INTERACTIONS}, journal = {Journal of Physical Chemistry}, volume = {96}, number = {24}, year = {1992}, note = {ISI Document Delivery No.: KA298Times Cited: 12Cited Reference Count: 19}, month = {Nov}, pages = {10025-10029}, type = {Article}, abstract = {The excess partial molar enthalpies, H(m)E(i), in 2-butanone (BUT)-H2O mixtures were measured at 4.20, 20.00, and 25.00-degrees-C (i = BUT or H2O). The vapor pressures were also measured by a static method at 20.00 and 25.00-degrees-C. From the latter data, the partial pressures and hence the excess partial molar Gibbs free energies, G(m)E(i), were calculated by the method. The excess partial molar entropies, S(m)E(i), were then calculated at 20.00 and 25.00-degrees-C. From the composition derivatives of these partial molar quantities, the nature of the solute-solute interactions was discussed in relation to the global information about the mixture: existence of phase separation, the way in which the phase boundary slants, and existence of azeotropy and addition compound.}, keywords = {2-BUTOXYETHANOL, 25-DEGREES-C, BUTYL ALCOHOL, MIXING SCHEME, SCATTERING, TERT-BUTANOL MIXTURES, TRANSITION, WATER}, isbn = {0022-3654}, url = {://A1992KA29800080}, author = {Wong, T. Y. H. and Wongmoon, K. C. and Beach, L. J. and Chuang, Y. F. and Koga,Yoshikata} } @article {6980, title = {QUASI-PARTICLE EQUATION FROM THE CONFIGURATION-INTERACTION (CI) WAVE-FUNCTION METHOD}, journal = {International Journal of Quantum Chemistry}, volume = {40}, number = {2}, year = {1991}, note = {ISI Document Delivery No.: FX545Times Cited: 7Cited Reference Count: 42}, month = {Aug}, pages = {225-242}, type = {Article}, abstract = {The Green-function method is a well-known way to reduce the quantum mechanical problem of n electrons moving in the field of clamped nuclei to the problem of solving a one-electron Schrodinger equation (the quasi-particle equation) involving a pseudopotential (the self-energy). This method is widely used in solid-state, low-energy electron-molecule scattering, ionization, and electron attachment theory, and much work has focused on finding accurate self-energy approximations. Unfortunately, the operator nature of the fundamental quantity (Green function) in the usual quasi-particle equation formalism significantly complicates the derivation of self-energy approximations, in turn significantly complicating applications to inelastic scattering and multiconfigurational bound-state problems. For these problems or wherever the operator approach becomes inconvenient, we propose an alternative quasi-particle equation derived wholely within a configuration interaction wave-function formalism and intended to describe the same phenomenology as does the Green function quasi-particle equation. Our derivation refers specifically to electron removal but is readily generalized to electron attachment and scattering. Although the Green function and wave-function quasi-particle equations are different, we emphasize the parallels by rederiving both equations within the equations-of-motion formalism and then producing a wave-function analog of the Green function two-particle-hole Tamm-Dancoff approximation.}, keywords = {APPROXIMATION, CLOSED-SHELL ATOMS, CORRELATED WAVEFUNCTIONS, ELECTRON PROPAGATOR THEORY, ENERGIES, EXTENSION, IONIZATION-POTENTIALS, KOOPMANS THEOREM, MOLECULES, SCATTERING}, isbn = {0020-7608}, url = {://A1991FX54500005}, author = {Casida, M. E. and Chong, D. P.} } @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 = {://A1991FM51300041}, author = {Koga,Yoshikata} }