Log in

Relevant bibliographies by topics / Dilute solution theory / Journal articles

To see the other types of publications on this topic, follow the link: Dilute solution theory.

Journal articles on the topic 'Dilute solution theory'

Author: Grafiati

Published: 4 June 2021

Last updated: 5 February 2022

Create a spot-on reference in APA, MLA, Chicago, Harvard, and other styles

Select a source type:

Consult the top 50 journal articles for your research on the topic 'Dilute solution theory.'

Next to every source in the list of references, there is an 'Add to bibliography' button. Press on it, and we will generate automatically the bibliographic reference to the chosen work in the citation style you need: APA, MLA, Harvard, Chicago, Vancouver, etc.

You can also download the full text of the academic publication as pdf and read online its abstract whenever available in the metadata.

Browse journal articles on a wide variety of disciplines and organise your bibliography correctly.

1

Wang, Xiaorong, and Lawrence L. Tavlarides. "Solubility of Solutes in Compressed Gases: Dilute Solution Theory." Industrial & Engineering Chemistry Research 33, no. 3 (1994): 724–29. http://dx.doi.org/10.1021/ie00027a035.

Full text

APA, Harvard, Vancouver, ISO, and other styles

2

Shankar, V., Matteo Pasquali, and David C. Morse. "Theory of linear viscoelasticity of semiflexible rods in dilute solution." Journal of Rheology 46, no. 5 (2002): 1111–54. http://dx.doi.org/10.1122/1.1501927.

Full text

APA, Harvard, Vancouver, ISO, and other styles

3

Zaldivar, G., M. B. Samad, M. Conda-Sheridan, and M. Tagliazucchi. "Self-assembly of model short triblock amphiphiles in dilute solution." Soft Matter 14, no. 16 (2018): 3171–81. http://dx.doi.org/10.1039/c8sm00096d.

Full text

APA, Harvard, Vancouver, ISO, and other styles

4

Halun, Joanna, Pawel Karbowniczek, Piotr Kuterba, and Zoriana Danel. "Investigation of Ring and Star Polymers in Confined Geometries: Theory and Simulations." Entropy 23, no. 2 (2021): 242. http://dx.doi.org/10.3390/e23020242.

Full text

Abstract:

The calculations of the dimensionless layer monomer density profiles for a dilute solution of phantom ideal ring polymer chains and star polymers with f=4 arms in a Θ-solvent confined in a slit geometry of two parallel walls with repulsive surfaces and for the mixed case of one repulsive and the other inert surface were performed. Furthermore, taking into account the Derjaguin approximation, the dimensionless layer monomer density profiles for phantom ideal ring polymer chains and star polymers immersed in a solution of big colloidal particles with different adsorbing or repelling properties with respect to polymers were calculated. The density-force relation for the above-mentioned cases was analyzed, and the universal amplitude ratio B was obtained. Taking into account the small sphere expansion allowed obtaining the monomer density profiles for a dilute solution of phantom ideal ring polymers immersed in a solution of small spherical particles, or nano-particles of finite size, which are much smaller than the polymer size and the other characteristic mesoscopic length of the system. We performed molecular dynamics simulations of a dilute solution of linear, ring, and star-shaped polymers with N=300, 300 (360), and 1201 (4 × 300 + 1-star polymer with four arms) beads accordingly. The obtained analytical and numerical results for phantom ring and star polymers are compared with the results for linear polymer chains in confined geometries.

APA, Harvard, Vancouver, ISO, and other styles

5

YINNON, TAMAR A., and CARMI A. YINNON. "ELECTRIC DIPOLE AGGREGATES IN VERY DILUTE POLAR LIQUIDS: THEORY AND EXPERIMENTAL EVIDENCE." International Journal of Modern Physics B 25, no. 28 (2011): 3707–43. http://dx.doi.org/10.1142/s0217979211101624.

Full text

Abstract:

We show that rotational excited aggregates with an electric dipole moment may be created in polar liquids. Under proper storage conditions, the life times of the aggregates are very long, e.g., days and even years. In solutions, the aggregates are composed of solvent molecules only or a combination of these and solute particles. The process steps leading to the formation of the aggregates are: (1) vigorous succussing the liquid or its solution; (2) adding nonsuccussed liquid; (3) repetition of step (1) and (2). In solutions, formation of the aggregates requires that these steps are repeated until the concentration is reduced below a solvent and solute specific molarity, which under room temperature and pressure conditions, typically, is of the order of 10-4M or below. The characteristics of liquids containing aggregates with an electric dipole, theoretically derived in this paper, conform to the experimentally observed ones, reported in the literature.

APA, Harvard, Vancouver, ISO, and other styles

6

Čeleda, Jiří. "On theory of ionic volumes in dilute aqueous solutions of electrolytes." Collection of Czechoslovak Chemical Communications 53, no. 3 (1988): 433–45. http://dx.doi.org/10.1135/cccc19880433.

Full text

Abstract:

For purposes of calculation of densities of aqueous solutions of strong electrolytes and of their mixtures, theoretical substantiation of the formerly outlined empirical model of apparent molar ionic volumes φ in solution is presented. According to the model, the hydration sheaths of ions consisting of radially close-packed H2O molecules having effective molar volume V’w the same for all ions, are on their contact with the adjacent structure of liquid water surrounded by a layer of excess voids. This layer can bee substituted in the model by continuous gap of which d0, which again is common to all the ions and is temperature-independent. Using experimental φ values of twenty-seven strong electrolytes together with the data on electrolytic transport of water on ions, V’w = 12 cm3 mol-1 and d0 = (40 ± 2) pm were found for mono- and divalent ions in 1 mol dm-3 solutions, independently of ionic charges and crystallographic radii. The exception are small ions Li+ and Na+, the volumes of which – if interpreted on the basis of the model – correspond to hydration sheaths formed by a cluster of voluminous ice-like structure. An anomaly in this respect has been encountered also in the case of NH+4 ion.

APA, Harvard, Vancouver, ISO, and other styles

7

Baniasadi, F., N. Sahraei, M. B. Fathi, M. M. Tehranchi, N. Safari, and V. Amani. "X-ray characterization of tripyridinium bis[tetrabromidoferrate(III)] bromide asymmetric unit in solution by Debye function analysis." International Journal of Modern Physics B 30, no. 24 (2016): 1650174. http://dx.doi.org/10.1142/s0217979216501745.

Full text

Abstract:

Abundant asymmetric unit of the [FeBr4]2[py.H]3Br magnetic molecule in the acetonitrile solvent was characterized via Debye function analysis (DFA) of the X-ray powder diffraction pattern from dilute solution. A diluted solution of the material in acetonitrile solvent has been prepared to reduce, as far as possible, the interaction between the molecular units. The X-ray diffraction from the sample was measured and Debye function simulations of three out of ten chemically plausible molecular units were observed to suitably comply with the experimental results. These three configurations were further optimized with first-principles method in the framework of density functional theory (DFT) and the most stable structure according to the calculated total energy is presented.

APA, Harvard, Vancouver, ISO, and other styles

8

GUO, HONGKAI, RUIBAO TAO, and MINYUE LIN. "QUANTITATIVE ANALYSIS OF ROD LIKE MICELLE SOLUTIONS VISCOSITY USING MICROSCOPIC PARAMETERS." International Journal of Modern Physics B 17, no. 01n02 (2003): 119–22. http://dx.doi.org/10.1142/s0217979203017187.

Full text

Abstract:

We modify the Hayter-Penfold formalism and gave a quantitative analysis to fit the viscosity of rod-like micelles solutions under shear using measured small-angle neutron scattering (SANS) intensity. The original formalism is applicable to a dilute solution, but we found that the theory can fit our measured results excellently if we use the effective viscosity of the solution in place of the solvent viscosity of the original formalism. The fittings yielded good values just the same as our experiment results.

APA, Harvard, Vancouver, ISO, and other styles

9

BRUNN, P. O., and S. GRISAFI. "KINETIC THEORY OF A DILUTE POLYMER SOLUTION IN A SMALL CHANNEL: EQUILIBRIUM RESULTS." Chemical Engineering Communications 36, no. 1-6 (1985): 367–83. http://dx.doi.org/10.1080/00986448508911266.

Full text

APA, Harvard, Vancouver, ISO, and other styles

10

Budkov, Yu A., A. L. Kolesnikov, N. Georgi, and M. G. Kiselev. "A statistical theory of cosolvent-induced coil-globule transitions in dilute polymer solution." Journal of Chemical Physics 141, no. 1 (2014): 014902. http://dx.doi.org/10.1063/1.4884958.

Full text

APA, Harvard, Vancouver, ISO, and other styles

11

Paolo, Alessi, Fermeglia Maurizio, Kikic Ireneo, and Soave Giorgio. "On the application of solution of group theory to dilute mixtures of isomers." Fluid Phase Equilibria 42 (January 1988): 173–83. http://dx.doi.org/10.1016/0378-3812(88)80057-8.

Full text

APA, Harvard, Vancouver, ISO, and other styles

12

Brauner, N., and A. I. Beltzer. "Linear Waves in Bubbly Liquids via the Kramers-Kronig Relations." Journal of Vibration and Acoustics 113, no. 3 (1991): 417–19. http://dx.doi.org/10.1115/1.2930201.

Full text

Abstract:

A simple closed form analytic solution, as well as numerical solutions, are derived for acoustic waves of an arbitrary frequency, propagating in dilute bubbly liquids. The applied method treats the effective wave as a causal response of a linear system. The results are compared with the prediction of Foldy’s theory, which in this particular case is shown to be consistent with the Kramers-Kronig relations. These results thus complement recently reported investigations concerning the causal approach as well as the validity of Foldy’s theory.

APA, Harvard, Vancouver, ISO, and other styles

13

Freed, Karl F., Shi Qing Wang, Jacques Roovers, and Jack F. Douglas. "Partial draining and universality of dilute solution polymer dynamics: comparison of theory and experiment." Macromolecules 21, no. 7 (1988): 2219–24. http://dx.doi.org/10.1021/ma00185a057.

Full text

APA, Harvard, Vancouver, ISO, and other styles

14

Johnston-Hall, Geoffrey, and Michael J. Monteiro. "Termination in Semi-Dilute and Concentrated Polymer Solutions." Australian Journal of Chemistry 62, no. 8 (2009): 857. http://dx.doi.org/10.1071/ch09089.

Full text

Abstract:

The aim of the present work was to develop a deeper understanding into termination processes in the semi-dilute and concentrated regimes. The study was carried out to examine the effect of termination between linear polystyrene radical chains in linear, four-arm star, and six-arm star polymer systems using the reversible addition–fragmentation chain transfer chain length-dependent termination method. In particular, the power-law dependencies of both chain length and polymer concentration were evaluated in the semi-dilute and concentrated regimes. We found that theoretical predictions based on the blob model were in good agreement with the experimentally observed evolution of the rate coefficient for biomolecular termination, kti,i(x), in the semi-dilute solution regime. In addition, solvent quality was found to decrease with increasing chain length, increasing polymer concentration and as a function of the matrix topology (i.e. for star polymer solutions). In the concentrated solution regime, the role of chain entanglements became evident by determining the conversion-dependent power-law exponent, βgel (where kt ≈ x–βgel), which increased in the order: linear < four-arm star < six-arm star polymer systems. Above the critical chain length ic, termination was found to be primarily conversion-dependent, implying entanglements dominated termination between linear polymeric radicals. Although this may suggest that reptation plays an important role, our data are in disagreement with this theory, suggesting that the polymer matrix cannot be regarded as static or immobile on the diffusion time scales for bimolecular termination.

APA, Harvard, Vancouver, ISO, and other styles

15

Wang, Rong, Ping Tang, Feng Qiu, and Yuliang Yang. "Aggregate Morphologies of Amphiphilic ABC Triblock Copolymer in Dilute Solution Using Self-Consistent Field Theory." Journal of Physical Chemistry B 109, no. 36 (2005): 17120–27. http://dx.doi.org/10.1021/jp053248p.

Full text

APA, Harvard, Vancouver, ISO, and other styles

16

Zhang, Liangshun, Jiaping Lin, and Shaoliang Lin. "Aggregate Morphologies of Amphiphilic Graft Copolymers in Dilute Solution Studied by Self-Consistent Field Theory." Journal of Physical Chemistry B 111, no. 31 (2007): 9209–17. http://dx.doi.org/10.1021/jp068429l.

Full text

APA, Harvard, Vancouver, ISO, and other styles

17

Zazza, Costantino, Giordano Mancini, Giuseppe Brancato, Nico Sanna, and Vincenzo Barone. "Neutral molecular shuttle in acetonitrile dilute solution investigated by molecular dynamics and density functional theory." Computational and Theoretical Chemistry 985 (April 2012): 53–61. http://dx.doi.org/10.1016/j.comptc.2012.01.039.

Full text

APA, Harvard, Vancouver, ISO, and other styles

18

Sastry, Nandhibatla V., Amitkummar D. Thummar, and Sanjay H. Punjabi. "Mixed Micelles of Trisiloxane Based Silicone and Hydrocarbon Surfactants Systems in Aqueous Media: Dilute Aqueous Solution Phase Diagrams, Surface Tension Isotherms, Dilute Solution Viscosities, Critical Micelle Concentrations and Application of Regular Solution Theory." Journal of Surfactants and Detergents 16, no. 6 (2013): 829–40. http://dx.doi.org/10.1007/s11743-013-1435-7.

Full text

APA, Harvard, Vancouver, ISO, and other styles

19

Nomura, Hiroyasu, Shinobu Koda, and Takashi Sakurai. "Dynamics of the Sulfate Ion in Dilute Water-DMF Solutions." Zeitschrift für Naturforschung A 50, no. 1 (1995): 7–10. http://dx.doi.org/10.1515/zna-1995-0102.

Full text

Abstract:

Abstract The Raman band of the v1(A1) mode of SO42- of Li2S04 dissolved in water and water-dimethyl-formamide mixtures was measured in the concentration range 0.01 to 0.2 mol • dm-3. The central frequency of the sulfate ion increases with sulfate concentration. The limiting frequency at infinite dilution depends on the DMF content. The Raman band becomes asymmetric with increasing concentration of Li2SO4 in 20 wt% DMF mixtures and with addition of LiCl to the aqueous solution of Li2SO4. The vibrational relaxation behavior of the v1(A1) mode was investigated by analyzing the vibrational correlation function based on Kubo's stochastic theory.

APA, Harvard, Vancouver, ISO, and other styles

20

Chaffin, Stephen, and Julia Rees. "Semi-Dilute Dumbbells: Solutions of the Fokker–Planck Equation." J 4, no. 3 (2021): 341–55. http://dx.doi.org/10.3390/j4030026.

Full text

Abstract:

Spring bead models are commonly used in the constitutive equations for polymer melts. One such model based on kinetic theory—the finitely extensible nonlinear elastic dumbbell model incorporating a Peterlin closure approximation (FENE-P)—has previously been applied to study concentration-dependent anisotropy with the inclusion of a mean-field term to account for intermolecular forces in dilute polymer solutions for background profiles of weak shear and elongation. These investigations involved the solution of the Fokker–Planck equation incorporating a constitutive equation for the second moment. In this paper, we extend this analysis to include the effects of large background shear and elongation beyond the Hookean regime. Further, the constitutive equation is solved for the probability density function which permits the computation of any macroscopic variable, allowing direct comparison of the model predictions with molecular dynamics simulations. It was found that if the concentration effects at equilibrium are taken into account, the FENE-P model gives qualitatively the correct predictions, although the over-shoot in extension in comparison to the infinitely dilute case is significantly underpredicted.

APA, Harvard, Vancouver, ISO, and other styles

21

Hua, Juan, Yue-Lin Liu, Heng-Shuai Li, Ming-Wen Zhao, and Xiang-Dong Liu. "Effect of the alloying element titanium on the stability and trapping of hydrogen in pure vanadium: A first-principles study." International Journal of Modern Physics B 28, no. 29 (2014): 1450207. http://dx.doi.org/10.1142/s0217979214502075.

Full text

Abstract:

With a first-principles method based on density functional theory, the effect of the alloying element titanium ( Ti ) on the thermodynamic stability and electronic structure of hydrogen ( H ) in pure vanadium ( V ) is investigated. The interactions between H and the vacancy and the defect solution energies in a dilute V – Ti binary alloy are calculated. The results show that: (i) a single H atom prefers to reside in a tetrahedral interstitial site in dilute V – Ti binary alloy systems; (ii) H atoms tend to bond at the vacancy sites; a mono-vacancy is shown to be capable of trapping three H atoms; and (iii) the presence of Ti in pure V can increase the H trapping energy and reduce the H trapping capability of the vacancy defects. This indicates that doping with Ti to form dilute V – Ti binary alloys can inhibit the solution for H , and thus suppress the retention of H . These results provide useful insight into V -based alloys as a candidate structural material in fusion reactors.

APA, Harvard, Vancouver, ISO, and other styles

22

Schaefer, Ted, Rudy Sebastian, and Glenn H. Penner. "The internal rotational potential in benzyl chloride." Canadian Journal of Chemistry 64, no. 7 (1986): 1322–25. http://dx.doi.org/10.1139/v86-226.

Full text

Abstract:

The 1H nmr spectra of benzyl chloride in dilute CS2 and acetone-d6 solutions are analyzed. The long-range coupling constants are consistent only with a low-energy conformation in which the C—Cl bond lies in a plane perpendicular to the benzene plane. Geometry optimized computations at the STO 3G level of molecular orbital theory agree with this conclusion and yield a nearly pure twofold barrier to internal rotation of 8.6 kJ/mol. In CS2 solution the long-range couplings yield 8.8 kJ/mol, rising to 11.2 kJ/mol in acetone solution. This increase in the internal barrier in a polar solvent is similar to that found for benzyl fluoride, but in the latter the barrier itself is very much smaller than in benzyl chloride.

APA, Harvard, Vancouver, ISO, and other styles

23

Tsai, Jing-Fa, and Yih-Nan Chen. "A Generalized Approach on Equilibrium Theory of Cavitation Nuclei in Liquid-Gas Solutions." Journal of Fluids Engineering 112, no. 4 (1990): 487–91. http://dx.doi.org/10.1115/1.2909432.

Full text

Abstract:

The availability of a single bubble-droplet system is derived from energy conservation and the principle of entropy. The equilibrium and critical conditions are determined by minimizing the availability without any assumption on the volume of the bubble-droplet system. It is found that the compressibility effect of the liquid-gas solution can be neglected in such a small bubble-droplet system and dilute solution condition. The results of the present analyses confirm previous conclusions reached by Cha that a bubble can remain in a state of stable equilibrium provided that the ratio of the total number of moles of gas to the total number of moles of the liquid is not extremely small and the external pressure falls between a dissolution limit and a cavitation limit.

APA, Harvard, Vancouver, ISO, and other styles

24

Piekarski, Henryk. "Heat capacities and volumes of some non-electrolytes in N,N-dimethylformamide at 298.15 K." Canadian Journal of Chemistry 65, no. 12 (1987): 2810–14. http://dx.doi.org/10.1139/v87-467.

Full text

Abstract:

Heat capacities and densities of dilute solutions of formamide, acetone, tetrahydrofuran, ethylene glycol, 2-methoxyethanol, and 2-ethoxyethanol in N,N-dimethylformamide were determined at 298.15 K. Apparent molal heat capacities and volumes for these solutes in DMF were calculated and compared with the analogous data for other substances in DMF solution as well as with the data concerning solutions in methanol and water. Heat capacities of cavity formation (ΔCcav) in DMF were calculated on the basis of the Scaled Particle Theory. ΔCcav appeared to be linearly correlated with the standard partial molal volume of corresponding solutes in DMF. Similar dependences were also found for aqueous and methanolic solutions of the non-electrolytes.

APA, Harvard, Vancouver, ISO, and other styles

25

Uesugi, Tokuteru, Yorinobu Takigawa, and Kenji Higashi. "Atomistic Studies of Deformation Mechanism of Nanocrystalline Al-Ti and Al-Fe Alloys from First-Principles." Materials Science Forum 561-565 (October 2007): 977–80. http://dx.doi.org/10.4028/www.scientific.net/msf.561-565.977.

Full text

Abstract:

We investigated the contribution to the high yield strength due to the solid solution strengthening in nanocrystalline Al-Ti alloys produced by a vapor quench method. The misfit strain due to solute Ti atom in aluminum was obtained from the first principles calculation. Then, the theoretical result of the contribution to the yield strength due to the solid solution strengthening was estimated from the misfit strain using the Friedel’s theory. In dilute Al-Ti alloy, the theoretical results of the solid solution strengthening from the misfit strain was in good agreement with the analytical result using the measured grain size and yield stress.

APA, Harvard, Vancouver, ISO, and other styles

26

Bohdanecký, Miloslav, Jiří Horský, Vladimír Petrus, Libuše Mrkvičková, and Karel Ulbrich. "Cloud Point Curves of Aqueous Solutions of Poly(N-ethylmethacrylamide)." Collection of Czechoslovak Chemical Communications 58, no. 10 (1993): 2370–82. http://dx.doi.org/10.1135/cccc19932370.

Full text

Abstract:

Aqueous solutions of poly(N-ethylmethacrylamide) have a lower critical solution temperature (LCST). Cloud point curves of five polydisperse samples (Mw . 10-6 = 0.06 to 2.04) in aqueous solutions at concentrations from 0.002 to 0.1 g/ml were obtained. The threshold concentration was found to be almost independent of the molecular weight. The threshold temperature decreases moderately with increasing M and the limiting value for infinite M obtained by the Shultz-Flory method is ΘLPE = 340.5 K. This value is lower by 2.5 K than the temperature ΘLη at which the intrinsic viscosity is proportional to the square root of the molecular weight. The difference cannot be assigned to experimental errors. The entropy-of-dilution parameter is negative (ψ = -2) and much higher than the value obtained from dilute solution properties. The differences in Θ and ψ values are discussed in terms of theory of polymer solutions where a higher-order interaction parameter is included.

APA, Harvard, Vancouver, ISO, and other styles

27

Marczewski, Adam W. "Extension of Langmuir kinetics in dilute solutions to include lateral interactions according to regular solution theory and the Kiselev association model." Journal of Colloid and Interface Science 361, no. 2 (2011): 603–11. http://dx.doi.org/10.1016/j.jcis.2011.06.013.

Full text

APA, Harvard, Vancouver, ISO, and other styles

28

Zhang, Liangshun, Jiaping Lin, and Shaoliang Lin. "Self-Assembly Behavior of Amphiphilic Block Copolymer/Nanoparticle Mixture in Dilute Solution Studied by Self-Consistent-Field Theory/Density Functional Theory." Macromolecules 40, no. 15 (2007): 5582–92. http://dx.doi.org/10.1021/ma070986y.

Full text

APA, Harvard, Vancouver, ISO, and other styles

29

Alexiewicz, W., and K. Grygiel. "Kinetic Theory of the Langevin Saturation in Dilute Solution of Dipolar Symmetric-Top Molecules in Spherical Solvents." Acta Physica Polonica A 114, no. 4 (2008): 667–86. http://dx.doi.org/10.12693/aphyspola.114.667.

Full text

APA, Harvard, Vancouver, ISO, and other styles

30

SKOLNICK, JEFFREY, ROBERT YARIS, and ANDRZEJ KOLINSKI. "PHENOMENOLOGICAL THEORY OF POLYMER MELT DYNAMICS." International Journal of Modern Physics B 03, no. 01 (1989): 33–64. http://dx.doi.org/10.1142/s0217979289000038.

Full text

Abstract:

A particularly interesting problem in polymer physics is the mechanism by which an individual polymer chain moves in a polymer melt or concentrated polymer solution. The first rather successful model of polymer dynamics was the reptation model of de Gennes which asserts that due to the effect of entanglements a polymer finds itself confined to a tube. Thus, the dominant long wavelength motion of the chain should be slithering out the ends of the tube. In order to examine the validity of the reptation model, a series of dynamic Monte Carlo simulations were performed. Although the simulations are on chains sufficiently long that agreement with the experimentally observed scaling with degree of polymerization n of the self diffusion constant and terminal relaxation time is observed, reptation does not appear to be the dominant mechanism of long distance motion. Rather the motion is isotropic, with the slowdown from dilute solution behavior arising from the formation of dynamic entanglements — rare long lived contacts where a given chain drags another chain through the melt for times on the order of longest internal relaxation time. Motivated by the simulations results, a phenomenological theory for the diffusive and viscoelastic behavior is developed that is consistent with both simulations and experiment and which does not invoke reptation. The major conclusions arising from the theoretical approach are described, and comparison is made with experiment.

APA, Harvard, Vancouver, ISO, and other styles

31

Lee, Chau J., and Chih C. Chan. "Extraction of ammonia from a dilute aqueous solution by emulsion liquid membranes. 2. Theory and mass-transfer model." Industrial & Engineering Chemistry Research 29, no. 1 (1990): 101–5. http://dx.doi.org/10.1021/ie00097a015.

Full text

APA, Harvard, Vancouver, ISO, and other styles

32

Harrison, Graham M., Johan Remmelgas, and L. Gary Leal. "Comparison of dumbell-based theory and experiment for a dilute polymer solution in a corotating two-roll mill." Journal of Rheology 43, no. 1 (1999): 197–218. http://dx.doi.org/10.1122/1.550982.

Full text

APA, Harvard, Vancouver, ISO, and other styles

33

Xia, Fei-Fei, Hai-Bo Yi, and Dewen Zeng. "Hydrates of Cu2+and CuCl+in Dilute Aqueous Solution: A Density Functional Theory and Polarized Continuum Model Investigation." Journal of Physical Chemistry A 114, no. 32 (2010): 8406–16. http://dx.doi.org/10.1021/jp1000804.

Full text

APA, Harvard, Vancouver, ISO, and other styles

34

Boehm, Richard E., and Daniel E. Martire. "Statistical thermodynamic theory of the collapse transition of thermotropic, main-chain mesogenic polymer molecules in infinitely dilute solution." Macromolecules 19, no. 1 (1986): 89–97. http://dx.doi.org/10.1021/ma00155a016.

Full text

APA, Harvard, Vancouver, ISO, and other styles

35

Li, Li Fen, and Xi Xia Liang. "The Thermal Hysteresis of the Type I Antifreeze Protein ‘HPLC-6’: The Effect of Small System." Advanced Materials Research 658 (January 2013): 169–73. http://dx.doi.org/10.4028/www.scientific.net/amr.658.169.

Full text

Abstract:

According to Hill’s thermodynamics theory for small system, the effect of small system on the thermal hysteresis activity of type I antifreeze protein ‘HPLC-6’ is discussed in this article. We conclude that when the solution is very dilute, the effect is not visible, and as the concentration increases, the effect becomes more visible than before, and the result also shows that the thermal hysteresis temperature becomes larger when the effect of small system is considered.

APA, Harvard, Vancouver, ISO, and other styles

36

Li, Li Fen, and Xi Xia Liang. "The Effects of Small System on the Type I Antifreeze Protein ‘HPLC-6’." Applied Mechanics and Materials 275-277 (January 2013): 1615–18. http://dx.doi.org/10.4028/www.scientific.net/amm.275-277.1615.

Full text

Abstract:

According to Hill’s thermodynamics theory for small system, the effect of small system on the type I antifreeze protein ‘HPLC-6’ is discussed in this article. We conclude that when the solution is very dilute, the effect is not visible, and as the concentration increases, the effect becomes more visible than before, and the result also shows that the number of molecules on the ice surface becomes larger when the effect of small system is considered.

APA, Harvard, Vancouver, ISO, and other styles

37

Stover, Carl A., Donald L. Koch, and Claude Cohen. "Observations of fibre orientation in simple shear flow of semi-dilute suspensions." Journal of Fluid Mechanics 238 (May 1992): 277–96. http://dx.doi.org/10.1017/s002211209200171x.

Full text

Abstract:

The orientations of fibres in a semi-dilute, index-of-refraction-matched suspension in a Newtonian fluid were observed in a cylindrical Couette device. Even at the highest concentration (nL3 = 45), the particles rotated around the vorticity axis, spending most of their time nearly aligned in the flow direction as they would do in a Jeffery orbit. The measured orbit-constant distributions were quite different from the dilute orbit-constant distributions measured by Anczurowski & Mason (1967b) and were described well by an anisotropic, weak rotary diffusion. The measured ϕ-distributions were found to be similar to Jeffery's solution. Here, ϕ is the meridian angle in the flow-gradient plane. The shear viscosities measured by Bibbo (1987) compared well with the values predicted by Shaqfeh & Fredrickson's theory (1990) using moments of the orientation distribution measured here.

APA, Harvard, Vancouver, ISO, and other styles

38

Kresge, A. J., and S. W. Paine. "Carbon protonation of some phenylynamines in concentrated aqueous perchloric acid solution. Lowering of the upper limit for the pKa of phenylynammonium ions." Canadian Journal of Chemistry 74, no. 7 (1996): 1373–76. http://dx.doi.org/10.1139/v96-155.

Full text

Abstract:

Rates of carbon protonation of five phenylynamines (PhC≡CNH2, PhC≡CNHiPr, PhC=CNHC6F5, PhC≡CN(CH2CH2CN)2, and PhC≡CNMeC6F5) were determined in concentrated aqueous perchloric acid solution and the data were analyzed by the Cox–Yates method using the X0 acidity function. The extrapolated hydronium-ion catalytic coefficients so obtained are consistent with values measured directly in dilute acid solution, and the slopes of the Cox-Yates plots are similar to predictions made with the aid of Marcus rate theory for reactions originating from free ynamine initial states but unlike those predicted for reactions starting from nitrogen-protonated ynammonium ion initial states. This shows that none of these phenylynamines are protonated in even the most acidic solutions used (4 M) and sets new upper limits as low as pKa ≤ −3.1 for the conjugate acids of these ynamines. Comparison of the pKa limit for PhC≡CNH3+ with a literature value for the corresponding saturated compound, PhCH2CH2NH3+, gives a base-weakening effect for the phenylethynyl group of at least 12.5 pK units. Key words: acetylenic amines, concentrated acids, X0 excess acidity scale, Cox-Yates method, Marcus rate theory.

APA, Harvard, Vancouver, ISO, and other styles

39

Tanaka, Toshihiro, Nev A. Gokcen, Philip J. Spencer, Zen-Ichiro Morita, and Takamichi Tida. "Evaluation of Interaction Parameters in Dilute Liquid Ternary Alloys by a Solution Model Based on the Free Volume Theory." International Journal of Materials Research 84, no. 2 (1993): 100–105. http://dx.doi.org/10.1515/ijmr-1993-840208.

Full text

APA, Harvard, Vancouver, ISO, and other styles

40

Maćkowiak, J. "On the Kondo Problem and Thermodynamics of Dilute Magnetic Alloys." Open Systems & Information Dynamics 15, no. 03 (2008): 281–302. http://dx.doi.org/10.1142/s1230161208000201.

Full text

Abstract:

An argument is given showing that Coulomb attraction between conduction electrons and impurity ions in a dilute magnetic alloy (DMA) can be disregarded, provided the system's inverse temperature β is replaced by an effective inverse temperature t < β. This replacement allows one to remove the singularity in Kondo's expression for DMA impurity resistivity and to extend his theory to 0 K. The extended Kondo formula agrees with experimental data on resistivity of CuFe in the range of low temperatures and in the neighbourhood of the resistivity minimum. Using an asymptotic solution of the thermodynamics of a dilute s-d system at inverse temperature t, the impurity thermodynamic functions are derived and shown to provide good agreement with experimental data on CuFe , CuCr and ( LaCe ) Al 2 alloys in the low-temperature range. The magnitude of these functions agrees with experiment and does not require rescaling as in previous s-d theories. Nonlinear dependence of CuFe heat capacity on impurity concentration has been accounted for the first time.

APA, Harvard, Vancouver, ISO, and other styles

41

Carrick, Brian R., Claire L. Seitzinger, and Timothy P. Lodge. "Unusual Lower Critical Solution Temperature Phase Behavior of Poly(benzyl methacrylate) in a Pyrrolidinium-Based Ionic Liquid." Molecules 26, no. 16 (2021): 4850. http://dx.doi.org/10.3390/molecules26164850.

Full text

Abstract:

Polymer/ionic liquid systems are being increasingly explored, yet those exhibiting lower critical solution temperature (LCST) phase behavior remain poorly understood. Poly(benzyl methacrylate) in certain ionic liquids constitute unusual LCST systems, in that the second virial coefficient (A2) in dilute solutions has recently been shown to be positive, indicative of good solvent behavior, even above phase separation temperatures, where A2 < 0 is expected. In this work, we describe the LCST phase behavior of poly(benzyl methacrylate) in 1-butyl-1-methylpyrrolidinium bis(trifluoromethylsulfonyl)imide for three different molecular weights (32, 63, and 76 kg/mol) in concentrated solutions (5–40% by weight). Turbidimetry measurements reveal a strong concentration dependence to the phase boundaries, yet the molecular weight is shown to have no influence. The critical compositions of these systems are not accessed, and must therefore lie above 40 wt% polymer, far from the values (ca. 10%) anticipated by Flory-Huggins theory. The proximity of the experimental cloud point to the coexistence curve (binodal) and the thermo-reversibility of the phase transitions, are also confirmed at various heating and cooling rates.

APA, Harvard, Vancouver, ISO, and other styles

42

Gillilan, Richard, Søren Skou, Thomas Jensen, Bente Vestergaard, and Magda Skou. "Microfluidic dialysis on the beamline: experiment and theory." Acta Crystallographica Section A Foundations and Advances 70, a1 (2014): C412. http://dx.doi.org/10.1107/s2053273314095874.

Full text

Abstract:

Biological small angle x-ray solution scattering requires sufficient sample concentration to yield good signal while at the same time avoiding interparticle interference or the formation of unwanted oligomers or aggregates. The mere act of concentrating some samples risks rendering them unfit for SAXS measurements and the limit to which a sample may be concentrated before problems occur is often unknown a priori; aggregation is not generally regarded as a reversible process. At the same time, sample behavior at high concentrations is increasingly important not just for characterization of equilibria, or e.g. applications in the pharmaceutical industry, but also for understanding potential molecular crowding effects. We have constructed a microfluidic dialysis setup that permits on-demand concentration of protein samples at the beamline. Rather than generating dilution series to explore concentration effects, this approach produces true "concentration series", efficiently working from dilute sample upward. We experimentally demonstrate that useful concentrations can be achieved on practical timescales and that buffer exchange can be performed. Convection-diffusion modeling shows that the dialysis chip may actually retard aggregates, thus resulting in some degree of incidental sample purification. Based on model projections, the theoretical limits and potential of chip-dialysis will be described.

APA, Harvard, Vancouver, ISO, and other styles

43

Masuda-Jindo, Kin-ichi, and Kiyoyuki Terakura. "Electronic theory for solid-solution hardening and softening of dilute Al-based alloys: Elastic-moduli enhancement of Al-Li alloys." Physical Review B 39, no. 11 (1989): 7509–16. http://dx.doi.org/10.1103/physrevb.39.7509.

Full text

APA, Harvard, Vancouver, ISO, and other styles

44

Guo, Yingying, Zengwei Ma, Zejun Ding та Robert K. Y. Li. "Study of hierarchical microstructures self-assembled by π-shaped ABC block copolymers in dilute solution using self-consistent field theory". Journal of Colloid and Interface Science 379, № 1 (2012): 48–55. http://dx.doi.org/10.1016/j.jcis.2012.04.056.

Full text

APA, Harvard, Vancouver, ISO, and other styles

45

Nikulova, Uliana V., and Anatoly E. Chalykh. "Phase Equilibrium and Interdiffusion in Poly(Vinyl Methyl Ether)-Water System." Polymers 12, no. 11 (2020): 2445. http://dx.doi.org/10.3390/polym12112445.

Full text

Abstract:

The phase state diagram of the poly(vinyl methyl ether)-water system in a wide concentration range was obtained by the optical interferometry method. It was shown that this system was characterized by a complicated phase equilibrium with two lower critical solution temperatures, one of which was located in the concentrated region at 21 °C, and the other one in the region of a dilute solution at 31 °C. In the framework of the Flory–Huggins theory, pair interaction parameters were calculated for different parts of the binodal curves, and an attempt was made to reverse simulate the diagram in different conditions. It was suggested that the unusual character of the diagram was associated with the formation of a complicated complex between PVME and water in the middle region of the compositions. Concentration profiles for different temperatures were constructed. For the first time for this system, the numerical values of the diffusion coefficients of poly(vinyl methyl ether) (PVME) into water and water in PVME were obtained. Concentration and temperature dependences of diffusion coefficients were constructed and analyzed. The kinetics of water sorption in PVME was plotted, the clustering integral was calculated, and the approximate number of molecules in a water cluster was estimated. It was shown that in the dilute solution region upon passing through the binodal curve, the interphase disappeared immediately, and the remaining fluctuation of the concentration decreased in size with time. The kinetics of this process was estimated from the change in the size of such a particle.

APA, Harvard, Vancouver, ISO, and other styles

46

Chi, Qingjia, and Jiahuan Jiang. "A BEAD-SPRING MODEL AND MEAN FIELD THEORY BASED RE-CALCULATION REVEALS UNCERTAINTY OF ROUSE-TYPE DNA DYNAMICS IN DILUTE SOLUTION." Biomedical Engineering: Applications, Basis and Communications 24, no. 04 (2012): 355–64. http://dx.doi.org/10.4015/s1016237212500317.

Full text

Abstract:

Double-stranded DNA (dsDNA) is one of the most used model polymers in studying polymer dynamics. Some recent studies with the experimental data via fluorescence correlation spectroscopy (FCS) proposed that the end-monomer dynamics of dsDNA in dilute solution should be fallen into Rouse-type at intermediate times. This viewpoint is inconsistent with the classical polymer dynamics, therefore arousing controversy. To have a further looking clearly at what else meaning could be revealed from the original data of the FCS measurements, we made a re-calculation by two methods: one is based on Lodge and Wu's model (LWM) modified from the classical bead-spring model, in which parameters used in modeling are needed to be adjusted; and another is a mean field theory (MFT) for semiflexible chain with no parameter fitting needed. In LWM, we find not so weak hydrodynamic interactions (HI) which is not expected in Rouse theory, and the scaling of mean square displacement (MSD) is between Rouse-type and Zimm-type. MFT can reproduce experimental data well at larger time scales, whereas also gives rather different picture in intermediate regime — a dynamical scaling between Rouse-like and Zimm-like rather than Rouse-like scaling is found, indicating there may be sample problems or limitations in the setup for the experiment.

APA, Harvard, Vancouver, ISO, and other styles

47

Schiek, Richard L., and Eric S. G. Shaqfeh. "A nonlocal theory for stress in bound, Brownian suspensions of slender, rigid fibres." Journal of Fluid Mechanics 296 (August 10, 1995): 271–324. http://dx.doi.org/10.1017/s0022112095002138.

Full text

Abstract:

A nonlocal theory for stress in bound suspensions of rigid, slender fibres is developed and used to predict the rheology of dilute, rigid polymer suspensions when confined to capillaries or fine porous media. Because the theory is nonlocal, we describe transport in a fibre suspension where the velocity and concentration fields change rapidly on the fibre's characteristic length. Such rapid changes occur in a rigidly bound domain because suspended particles are sterically excluded from configurations near the boundaries. A rigorous no-flux condition resulting from the presence of solid boundaries around the suspension is included in our nonlocal stress theory and naturally gives rise to concentration gradients that scale on the length of the particle. Brownian motion of the rigid fibres is included within the nonlocal stress through a Fokker–Planck description of the fibres’ probability density function where gradients of this function are proportional to Brownian forces and torques exerted on the suspended fibres. This governing Fokker–Planck probability density equation couples the fluid flow and the nonlocal stress resulting in a nonlinear set of integral-differential equations for fluid stress, fluid velocity and fibre probability density. Using the method of averaged equations (Hinch 1977) and slender-body theory (Batchelor 1970), the system of equations is solved for a dilute suspension of rigid fibres experiencing flow and strong Brownian motion while confined to a gap of the same order in size as the fibre's intrinsic length. The full solution of this problem, as the fluid in the gap undergoes either simple shear or pressure-driven flow, is solved self-consistently yielding average fluid velocity, shear and normal stress profiles within the gap as well as the probability density function for the fibres’ position and orientation. From these results we calculate concentration profiles, effective viscosities and slip velocities and compare them to experimental data.

APA, Harvard, Vancouver, ISO, and other styles

48

Pal, Snehanshu, and T. K. Kundu. "Theoretical Study of Hydrogen Bond Formation in Trimethylene Glycol-Water Complex." ISRN Physical Chemistry 2012 (November 28, 2012): 1–12. http://dx.doi.org/10.5402/2012/570394.

Full text

Abstract:

A detailed quantum chemical calculation based study of hydrogen bond formation in trimethylene glycol- (TMG-) water complex has been performed by Hatree-Fock (HF) method, second-order Møller-Plesset perturbation theory (MP2), density functional theory (DFT), and density functional theory with dispersion function (DFT-D) using 6-31++G(d,p) basis set. B3LYP DFT-D, WB97XD, M06, and M06-2X functionals are used to capture highly dispersive hydrogen bond formation. Geometrical parameters, interaction energy, deviation of potential energy curve of hydrogen-bonded O–H from that of free O–H, natural bond orbital (NBO), atom in molecule (AIM), charge transfer, and red shift are investigated. It is observed that hydrogen bond between TMG and water molecule is stronger in case of TMG acting as proton donor compared to that of water acting as proton donor, and dilute TMG solution would inhibit water cluster formation.

APA, Harvard, Vancouver, ISO, and other styles

49

Ryskin, G. "Calculation of the effect of polymer additive in a converging flow." Journal of Fluid Mechanics 178 (May 1987): 423–40. http://dx.doi.org/10.1017/s0022112087001290.

Full text

Abstract:

The conical-channel flow of a dilute polymer solution is investigated theoretically. The stress field due to polymer additive is calculated using a new molecular model, based on the physical picture of the polymer molecules unravelling in strong flows and Batchelor's theory for the stress in a suspension of elongated particles. Good agreement is obtained with the experimental results of James & Saringer (1980). The absence of a significant polymer effect in a two-dimensional case (the wedge-channel flow), observed by the same authors (James & Saringer 1982a), is also explained. The fundamental differences between the proposed model and the elastic-dumbbell models are discussed.

APA, Harvard, Vancouver, ISO, and other styles

50

Mughal, Ehsan Ullah, Masoud Mirzaei, Amina Sadiq, et al. "Terpyridine-metal complexes: effects of different substituents on their physico-chemical properties and density functional theory studies." Royal Society Open Science 7, no. 11 (2020): 201208. http://dx.doi.org/10.1098/rsos.201208.

Full text

Abstract:

A series of different substituted terpyridine (tpy)-based ligands have been synthesized by Kröhnke method. Their binding behaviour was evaluated by complexing them with Co(II), Fe(II) and Zn(II) ions, which resulted in interesting coordination compounds with formulae, [Zn(tpy) 2 ]PF 6 , [Co(tpy) 2 ](PF 6 ) 2 , [Fe(tpy) 2 ](PF 6 ) 2 and interesting spectroscopic properties. Their absorption and emission behaviours in dilute solutions were investigated in order to explain structure–property associations and demonstrate the impact of different aryl substituents on the terpyridine scaffold as well as the role of the metal on the complexes. Photo-luminescence analysis of the complexes in acetonitrile solution revealed a transition from hypsochromic to bathochromic shift. All the compounds displayed remarkable photo-luminescent properties and various maximum emission peaks owing to the different nature of the functional groups. Furthermore, the anti-microbial potential of ligands and complexes was evaluated with docking analyses carried out to investigate the binding affinity of terpyridine-based ligands along with corresponding proteins (shikimate dehydrogenase and penicillin-binding protein) binding sites. To obtain further insight into molecular orbital distributions and spectroscopic properties, density functional theory calculations were performed for representative complexes. The photophysical activity and interactions between chromophore structure and properties were both investigated experimentally as well as theoretically.

APA, Harvard, Vancouver, ISO, and other styles

We offer discounts on all premium plans for authors whose works are included in thematic literature selections. Contact us to get a unique promo code!