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Journal articles on the topic 'Tanford and Kirkwood model'

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Published: 3 June 2025

Last updated: 31 July 2025

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1

Zhexin, Xiang, Huang Fuhua, Shi Yunyu, and Xu Yinwu. "Incorporating the protein - dipole Langevin - dipole model into Tanford-Kirkwood theory." Journal of Computational Chemistry 16, no. 12 (1995): 1468–73. http://dx.doi.org/10.1002/jcc.540161204.

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2

Fernando, Luís Barroso da Silva, and MacKernan Donal. "Benchmarking a Fast Proton Titration Scheme in Implicit Solvent for Biomolecular Simulations." J. Chem. Theory Comput. 13, no. 6 (2017): 2915–29. https://doi.org/10.1021/acs.jctc.6b01114.

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pH is a key parameter for technological and biological processes, intimately related to biomolecular charge. As such, it controls biomolecular conformation and inter molecular interactions, for example, protein/RNA stability and folding, enzyme activity, regulation through conformational switches,protein-polyelectrolyte association, and protein-RNA interactions. pH also plays an important role in technological systems in food, brewing, pharma, bioseparations and biomaterials in general. Predicting the structure of large proteins and complexes remains a great challenge, experimentally, industri

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3

Havranek, J. J., and P. B. Harbury. "Tanford-Kirkwood electrostatics for protein modeling." Proceedings of the National Academy of Sciences 96, no. 20 (1999): 11145–50. http://dx.doi.org/10.1073/pnas.96.20.11145.

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4

Jayaram, B., and D. L. Beveridge. "Tanford-Kirkwood theory for concentric dielectric continua: Application to dimethylphosphate." Biopolymers 27, no. 4 (1988): 617–27. http://dx.doi.org/10.1002/bip.360270406.

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5

Jurado de Carvalho, Sidney, Renato Carlos Tonin Ghiotto, and Fernando Luís Barroso da Silva. "Monte Carlo and Modified Tanford−Kirkwood Results for Macromolecular Electrostatics Calculations." Journal of Physical Chemistry B 110, no. 17 (2006): 8832–39. http://dx.doi.org/10.1021/jp054891e.

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6

Da Silva, Fernando LuífS B., Bo Jönsson, and Robert Penfold. "A critical investigation of the Tanford-Kirkwood shceme by means of Monte Carlo simulations." Protein Science 10, no. 7 (2008): 1415–25. http://dx.doi.org/10.1110/ps.42601.

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7

Phillies, George David Joseph. "The Kirkwood–Riseman Model of Polymer Solution Dynamics Is Qualitatively Correct." Polymers 15, no. 9 (2023): 1995. http://dx.doi.org/10.3390/polym15091995.

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The Rouse model is the foundational basis of much of modern polymer physics. The period alternative, the Kirkwood–Riseman model, is rarely mentioned in modern monographs. The models are qualitatively different. The models do not agree as to how many internal modes a polymer molecule has. In the Kirkwood–Riseman model, polymers in a shear field perform whole-body rotation; in the Rouse model, polymers respond to shear with an affine deformation. We use Brownian dynamics to show that the Kirkwood–Riseman model for chain motion is qualitatively correct. Contrary to the Rouse model, in shear flow,

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8

Logan, J. D. "Model solutions of the Wood-Kirkwood equations." Journal of Physics A: Mathematical and General 21, no. 3 (1988): 643–50. http://dx.doi.org/10.1088/0305-4470/21/3/019.

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9

Ramalakshmi, V., U. Sankar, and G. Parthipan. "Molecular Interaction Analysis on the Mixture of Amines with Amide Based on Excess Dielectric Parameters by Time Domain Reflectometry Method." Journal of Computational and Theoretical Nanoscience 16, no. 2 (2019): 580–84. http://dx.doi.org/10.1166/jctn.2019.7773.

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The dielectric relaxation study of amines and amide binary mixture has been determined over the frequency range of 10 MHZ to 20 GHZ, at 30 °C using time domain reflectometry (TDR) method for 11 concentrations of the system. The present work reveals molecular interaction between amines and amide. The static dielectric constant (ɛ), dielectric constant at high frequency (ɛ∞), relaxation time (τ), Effective Kirkwood correlation factors (geff) and Kirkwood correlation factors (gf) are computed by using Debye model. Formation of multimers in the mixture is identified by excess parameters and corres

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10

Phillies, George David Joseph. "Review: Kirkwood–Riseman Model in Non-Dilute Polymeric Fluids." Polymers 15, no. 15 (2023): 3216. http://dx.doi.org/10.3390/polym15153216.

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In two prior articles, I demonstrated from extensive simulational studies by myself and others that the Rouse model of polymer dynamics is invalid in polymer melts and in dilute solution. However, the Rouse model is the foundational basis for most modern theories of polymeric fluid dynamics, such as reptation/scaling models. One therefore rationally asks whether there is a replacement. There is, namely by extending the Kirkwood–Riseman model. Here, I present a comprehensive review of one such set of extensions, namely the hydrodynamic scaling model. This model assumes that polymer dynamics in

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11

Shimizu, Seishi, and Nobuyuki Matubayasi. "Ion hydration: linking self-diffusion and reorientational motion to water structure." Physical Chemistry Chemical Physics 20, no. 8 (2018): 5909–17. http://dx.doi.org/10.1039/c7cp07309g.

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12

Komatsu, Hisato. "Analysis of the finite-size effect of the long-range Ising model under Glauber dynamics." Journal of Statistical Mechanics: Theory and Experiment 2023, no. 3 (2023): 033208. http://dx.doi.org/10.1088/1742-5468/acc31f.

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Abstract We considered a long-range Ising model under Glauber dynamics and calculated the difference from the mean-field approximation in a finite-size system using perturbation theory. To deal with the Bogoliubov–Born–Green–Kirkwood–Yvon hierarchy, we assumed that certain types of extensive properties have a Gaussian distribution, which turned out to be equivalent to the Kirkwood superposition approximation within the range of first-order perturbation. After several calculations, ordinary differential equations that describe the time development of a two-body correlation were derived. This di

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13

Torrisi, M., and S. Lombardo. "Similarity solutions of the wood-kirkwood model in detonation theory." International Journal of Engineering Science 29, no. 4 (1991): 523–32. http://dx.doi.org/10.1016/0020-7225(91)90092-h.

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14

Litinskii, G. B. "Kirkwood factor for dipolar hard sphere fluids. hindered rotation model." Journal of Structural Chemistry 39, no. 5 (1998): 687–93. http://dx.doi.org/10.1007/bf02903541.

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15

Štimac Tumara, Barbara, Mario Dobrilović, Vinko Škrlec, and Muhamed Sućeska. "Determination of detonation front curvature radius of ANFO explosives and its importance in numerical modelling of detonation with the Wood-Kirkwood model." Rudarsko-geološko-naftni zbornik 38, no. 2 (2022): 97–107. http://dx.doi.org/10.17794/rgn2022.2.9.

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Unlike most military high explosives, which are characterized by an almost plane detonation front, ammonium nitratebased commercial explosives, such as ANFO (ammonium nitrate/fuel oil mixture) and emulsion explosives, are characterized by a curved detonation front. The curvature is directly related to the rate of radial expansion of detonation products in the detonation driving zone and the rate of chemical reactions, and it is one of the characteristics of nonideal explosives. The detonation theories used to model the nonideal behaviour of explosives require both reaction rate and rate of rad

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16

Phillies, George D. J. "Low-shear viscosity of nondilute polymer solutions from a generalized Kirkwood–Riseman model." Journal of Chemical Physics 116, no. 13 (2002): 5857–66. http://dx.doi.org/10.1063/1.1456033.

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17

Timpanaro, Andr M., and Serge Galam. "On the exit probability of the extended Sznajd model and the Kirkwood approximation." Journal of Physics: Conference Series 633 (September 21, 2015): 012111. http://dx.doi.org/10.1088/1742-6596/633/1/012111.

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18

Buchowiecki, Marcin. "On the Complementarity of the Harmonic Oscillator Model and the Classical Wigner–Kirkwood Corrected Partition Functions of Diatomic Molecules." Entropy 22, no. 8 (2020): 853. http://dx.doi.org/10.3390/e22080853.

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The vibrational and rovibrational partition functions of diatomic molecules are considered in the regime of intermediate temperatures. The low temperatures are those at which the harmonic oscillator approximation is appropriate, and the high temperatures are those at which classical partition function (with Wigner–Kirkwood correction) is applicable. The complementarity of the harmonic oscillator and classical integration over the phase space approaches is investigated for the CO and H2+ molecules showing that those two approaches are complementary in the sense that they smoothly overlap.

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19

Azum, Naved, Malik Abdul Rub, and Abdullah M. Asiri. "Mixed Micellization and Spectroscopic Studies of Anti-Allergic Drug and Non-Ionic Surfactant in the Presence of Ionic Liquid." Polymers 13, no. 16 (2021): 2756. http://dx.doi.org/10.3390/polym13162756.

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In drug delivery, surfactants are used to reduce side effects and to increase drug efficiency. The present work aimed to study the interaction of diphenhydramine hydrochloride (anti-allergic drug) with TX–45 (non-ionic surfactant) in the absence and presence of ionic liquid (1-hexyl-3-methylimidazolium chloride). The physicochemical parameters were estimated by the surface tension measurement. Various theoretical models (Clint, Rubingh, Motomura, and Maeda) were applied to determine the attractive behavior between drug and surfactant mixtures at the surface and in bulk. The drug and surfactant

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20

Zhang, Jingxiao, Shushan Wang, Xiyu Jia, Yuan Gao, and Feng Ma. "An improved Kirkwood–Bethe model for calculating near-field shockwave propagation of underwater explosions." AIP Advances 11, no. 3 (2021): 035123. http://dx.doi.org/10.1063/5.0040224.

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21

Amihere, Sylvia, Weihua Geng, and Shan Zhao. "Benchmarking electrostatic free energy of the nonlinear Poisson–Boltzmann model for the Kirkwood sphere." Communications in Information and Systems 22, no. 3 (2022): 305–15. http://dx.doi.org/10.4310/cis.2022.v22.n3.a1.

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22

Kumbharkhane, A. C. "Structural Behavior of Aqueous Solutions Using Time Domain Reflectometry Technique." Ukrainian Journal of Physics 56, no. 8 (2022): 811. http://dx.doi.org/10.15407/ujpe56.8.811.

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We have developed and established the TDR technique that provides information about the dielectric permittivity in the frequency range from 10 MHz to 30 GHz. The dielectric permittivity for the aqueous solutions can be explained by using a hydrogen-bond model by assuming the formation of hydrogen bonds between water–water and water–solute pairs. The orientational correlation between neighbouring molecules due to hydrogen bonds is determined in terms of the Kirkwood correlation factor. The number of hydrogen bonds in some aqueous solutions is computed.

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23

DE SOUSA, F. F., P. T. C. FREIRE, J. MENDES FILHO, et al. "EFFECT OF IMPURITIES ON THE DIELECTRIC PROPERTIES OF OLEIC ACID." Journal of Advanced Dielectrics 02, no. 03 (2012): 1250014. http://dx.doi.org/10.1142/s2010135x12500142.

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Temperature dependence of the dielectric constant of oleic acid with different degrees of purity was measured in the 233–313 K range. It was observed that the presence of impurities (palmitic and linolenic acids) strongly influences the dielectric constant, melting point and dipole moment of the oleic acid. The values of apparent dipole moment and the Kirkwood correlation parameters were evaluated using the Kirkwood's model and were estimated to be about 1.20, 1.61 and 2.27 D, respectively for 60, 90 and 97 wt% oleic acid.

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24

Vasiltsova, Tatiana, and Andreas Heintz. "Application of a New Statistical Mechanical Model for Calculating Kirkwood Factors in Alkanol−Heptane Mixtures." Journal of Physical Chemistry B 112, no. 25 (2008): 7544–54. http://dx.doi.org/10.1021/jp0777263.

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25

Lombardo, S., and M. Torrisi. "On some special classes of similarity solutions of the Wood-Kirkwood model in detonation theory." International Journal of Engineering Science 32, no. 4 (1994): 669–80. http://dx.doi.org/10.1016/0020-7225(94)90026-4.

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26

Birajdar, Sangameshwar Sanjivan, Ashok Champatrao Kumbharkhane, and Deelip Baliram Suryawanshi. "Study of Co-operative Dynamics in Cyclohexanol-Xylene Solutions using Dielectric Relaxation Spectroscopy." Journal of Physical Science 34, no. 2 (2023): 91–100. http://dx.doi.org/10.21315/jps2023.34.2.7.

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Cooperative dynamics in pure cyclohexanol (CYN), xylene and their binary solutions have been studied using dielectric relaxation spectroscopy (DRS) in 10 MHz to 30 GHz microwave frequency range. The dynamics in CYN-CYN, CYN-xylene molecules have been explained using concept of cooperative domains (CDs). Deviations in CYN-xylene binary solutions exist due to braking and making of bonds as well as selfassociation among the molecules. Kirkwood correlation factor authenticates CDs with diverse exchanges through hydrogen bonding. Luzar model offers moderately decent qualitative values of εo such th

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27

Viñas, X., A. Bhagwat, M. Centelles, P. Schuck, and R. Wyss. "Applications to nuclear properties of the microscopic–macroscopic model based on the semiclassical Wigner–Kirkwood method." Physica Scripta 90, no. 11 (2015): 114001. http://dx.doi.org/10.1088/0031-8949/90/11/114001.

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28

Phillies, George David Joseph. "Simulational Tests of the Rouse Model." Polymers 15, no. 12 (2023): 2615. http://dx.doi.org/10.3390/polym15122615.

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An extensive review of literature simulations of quiescent polymer melts is given, considering results that test aspects of the Rouse model in the melt. We focus on Rouse model predictions for the mean-square amplitudes ⟨(Xp(0))2⟩ and time correlation functions ⟨Xp(0)Xp(t)⟩ of the Rouse mode Xp(t). The simulations conclusively demonstrate that the Rouse model is invalid in polymer melts. In particular, and contrary to the Rouse model, (i) mean-square Rouse mode amplitudes ⟨(Xp(0))2⟩ do not scale as sin−2(pπ/2N), N being the number of beads in the polymer. For small p (say, p≤3) ⟨(Xp(0))2⟩ scal

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29

Birajdar, SS, JW Gaikwad, and DB Suryawanshi. "Microwave assisted co-operative dynamics and structural variations in chlorobenzene-acetonitrile solutions." Bangladesh Journal of Scientific and Industrial Research 57, no. 2 (2022): 85–90. http://dx.doi.org/10.3329/bjsir.v57i2.60404.

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Molecular interactions between CBZ-ACN at 8.845 GHz of microwave frequency region confer structural behavior of molecules such that either monomers or multimers are present in the agreed binary mixtures. Effect of microwave frequency on molecular interactions and hydrogen bonding between C≡N (nitrile) molecule and Cl (chlorine) molecule of CBZ and ACN binary solutions has been studied using X-band microwave technique at 301ºK. Co-operative dynamics and hydrogen bonding between nitrile and chlorine group molecules has been thoroughly explicated thereby obtaining static dielectric constant, exce

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30

Pointner, Andreas, and Rudolf Herrmann. "Transition State Geometry and Solvent Effects in the Enantioselective Oxidation of Sulfides to Chiral Sulfoxides by Oxaziridines." Zeitschrift für Naturforschung B 50, no. 9 (1995): 1396–403. http://dx.doi.org/10.1515/znb-1995-0917.

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AbstractFor the enantioselective oxidation of methyl phenyl sulfide and tert-butyl methyl sulfide to the corresponding chiral sulfoxides by 3,3-dibromo-(camphorsulfonyl)oxaziridine, semiempirical calculations (MNDO, AMI, PM3) concerning transition state geometries were performed. The results show that only PM3 is able to localize a transition state. For methyl phenyl sulfide, a spiro arrangement of the oxaziridine ring and the sulfur atom explains the observed direction of the selectivity better than a planar transition state. The solvent dependence of the observed enantioselectivity is relate

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31

Mondal, Jagannath, Duncan Halverson, Isaac T. S. Li, Guillaume Stirnemann, Gilbert C. Walker, and Bruce J. Berne. "How osmolytes influence hydrophobic polymer conformations: A unified view from experiment and theory." Proceedings of the National Academy of Sciences 112, no. 30 (2015): 9270–75. http://dx.doi.org/10.1073/pnas.1511780112.

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It is currently the consensus belief that protective osmolytes such as trimethylamine N-oxide (TMAO) favor protein folding by being excluded from the vicinity of a protein, whereas denaturing osmolytes such as urea lead to protein unfolding by strongly binding to the surface. Despite there being consensus on how TMAO and urea affect proteins as a whole, very little is known as to their effects on the individual mechanisms responsible for protein structure formation, especially hydrophobic association. In the present study, we use single-molecule atomic force microscopy and molecular dynamics s

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32

Baldwin, Robert L., and George D. Rose. "How the hydrophobic factor drives protein folding." Proceedings of the National Academy of Sciences 113, no. 44 (2016): 12462–66. http://dx.doi.org/10.1073/pnas.1610541113.

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How hydrophobicity (HY) drives protein folding is studied. The 1971 Nozaki–Tanford method of measuring HY is modified to use gases as solutes, not crystals, and this makes the method easy to use. Alkanes are found to be much more hydrophobic than rare gases, and the two different kinds of HY are termed intrinsic (rare gases) and extrinsic (alkanes). The HY values of rare gases are proportional to solvent-accessible surface area (ASA), whereas the HY values of alkanes depend on special hydration shells. Earlier work showed that hydration shells produce the hydration energetics of alkanes. Evide

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33

J., Mandai, and Ghatak B. "Evaluation of Vander Waals dipole-dipole ~nd dipole-quadrupole energies and crystal energies in copper, silver and thallium halides." Journal Of India Chemical Society Vol. 84, Jan 2007 (2007): 145–48. https://doi.org/10.5281/zenodo.5814101.

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University Department of Physics, T. M. Bhagalpur University, Bhagalpur-812 007, Bihar, India <em>Manuscript received 17 August 2006, revised 29 November 2006, accepted 29 November 2006</em> The Slater-Kirkwood variational method is applied to estimate the Van der Waals dipole-dipole (vdw) and dipole-quadrupole co-efficients for ion-pair interaction in copper, silver and thallium halide crystals. In the analysis of crystal binding based on the interionic force model, the contributions arising from the vdw dipole-dipole and dipolequadrupole interactions and the short-range repulsive interaction

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34

J., Mandai, and Ghatak B. "Evaluation of Vander Waals dipole-dipole ~nd dipole-quadrupole energies and crystal energies in copper, silver and thallium halides." Journal of Indian Chemical Society Vol. 84, Feb 2007 (2007): 145–48. https://doi.org/10.5281/zenodo.5814607.

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University Department of Physics, T. M. Bhagalpur University, Bhagalpur-812 007, Bihar, India M<em>anuscript received 17 August 2006, revised 29 November 2006, accepted 29 November 2006</em> The Slater-Kirkwood variational method is applied to estimate the Van der Waals dipole-dipole (vdw) and dipole-quadrupole co-efficients for ion-pair interaction in copper, silver and thallium halide crystals. In the analysis of crystal binding based on the interionic force model, the contributions arising from the vdw dipole-dipole and dipolequadrupole interactions and the short-range repulsive interaction

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35

Shawyer, Susanne. "Tank Man as Icon and “Crisis Actor” in Lucy Kirkwood’s Chimerica and Lauren Yee’s The Great Leap." Modern Drama 67, no. 3 (2024): 261–79. http://dx.doi.org/10.3138/md-67-3-1304.

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The photograph of the so-called Tank Man, who in 1989 stood in the street and stopped a line of Chinese army tanks after the forcible dissolution of pro-democracy demonstrations in Beijing’s Tiananmen Square, is one of the twentieth century’s most famous images of unarmed protest. This article explores how the iconic Tank Man image performs in Lucy Kirkwood’s Chimerica (2013) and Lauren Yee’s The Great Leap (2018). By expanding performance studies scholarship that frames his actions as theatrical, this article adds Meredith Conti’s notion of the “crisis actor” to the discourse around Tank Man:

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36

Cuny, Nicolas, Romain Mari, and Eric Bertin. "Derivation of a constitutive model for the rheology of jammed soft suspensions from particle dynamics." Journal of Statistical Mechanics: Theory and Experiment 2022, no. 3 (2022): 033206. http://dx.doi.org/10.1088/1742-5468/ac50b3.

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Abstract Considering the rheology of two-dimensional soft suspensions above the jamming density, we derive a tensorial constitutive model from the microscopic particle dynamics. Starting from the equation governing the N-particle distribution, we derive an evolution equation for the stress tensor. This evolution equation is not closed, as it involves the pair and three-particle correlation functions. To close this equation, we first employ the standard Kirkwood closure relation to express the three-particle correlation function in terms of the pair correlation function. Then we use a simple an

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37

Salomons, E. M., J. T. Tuitman, A. M. von Benda-Beckmann, and G. N. Peixoto Dourado. "Numerical study of sound of underwater explosions in deep water and shallow water." Journal of the Acoustical Society of America 158, no. 1 (2025): 135–53. https://doi.org/10.1121/10.0037084.

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A numerical model has been developed for sound generated by underwater explosions. For propagation up to a distance of typically 300 m, a finite-element method (FEM) model is used. For propagation to larger ranges, up to typically 10 km, a parabolic equation (PE) model is used. The FEM model takes into account the explosive material in the water layer. The calculated waveform contains the direct shock wave and surface and sediment reflections. Nonlinear-acoustics effects are taken into account by FEM, but are neglected by PE. FEM also accounts for cavitation near the surface. For a deep-water

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38

Bouteloup, Rémi, and Didier Mathieu. "Predicting dielectric constants of pure liquids: fragment-based Kirkwood–Fröhlich model applicable over a wide range of polarity." Physical Chemistry Chemical Physics 21, no. 21 (2019): 11043–57. http://dx.doi.org/10.1039/c9cp01704f.

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39

S., D. Cbavan, C. Kumbharkhane A., and C. . .Mehrotra S. "Temperature dependent dielectric relaxation study of triol-water mixtures using picosecond time domain technique." Journal of Indian Chemical Society Vol. 84, April 2007 (2007): 354–58. https://doi.org/10.5281/zenodo.5817007.

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School of Physical Sciences, Swami Ramanand Teerth Marathwada University, Nanded-431 606, Maharashtra, India <em>E-mail</em>: akumbharkhane@yahoo.co.in Department of Computer Science & Information Technology, Dr. B. A. Marathwada University, Aurangabad-431 004, Maharashtra, India <em>Manuscript received 6 September 2006, accepted 8 February 2007</em> Picosecond time domain reflectometry method has been used in the frequency range of 10 MHz to 20 MHz to determine dielectric properties of aqueous solutions of triol in temperature range of 15 to 35 <sup>o</sup>C. The excess permittivity,

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40

Alzebdeh, K., and M. Ostoja-Starzewaski. "On a Spring-Network Model and Effective Elastic Moduli of Granular Materials." Journal of Applied Mechanics 66, no. 1 (1999): 172–80. http://dx.doi.org/10.1115/1.2789144.

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Two challenges in mechanics of granular media are taken up in this paper: (i) development of adequate numerical discrete element models of topologically disordered granular assemblies, and (ii) calculation of macroscopic elastic moduli of such materials using effective medium theories. Consideration of the first one leads to an adaptation of a spring-network (Kirkwood) model of solid-state physics to disordered systems, which is developed in the context of planar Delaunay networks. The model employs two linear springs: a normal one along an edge connecting two neighboring vertices (grain cente

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41

Basilevsky, M. V., and G. E. Chudinov. "Dynamics of charge transfer chemical reactions in a polar medium within the scope of the Born-Kirkwood-Onsager model." Chemical Physics 157, no. 3 (1991): 327–44. http://dx.doi.org/10.1016/0301-0104(91)89026-7.

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42

P., G. Hudge, S. Kanse K., S. Mali C., C. Kumbharkhane A., and C. Mehrotra S. "Hydrogen bond interaction study of methanol in non-polar solute: A theoretical dielectric approach." Journal of Indian Chemical Society Vol. 87, Mar 2010 (2010): 355–59. https://doi.org/10.5281/zenodo.5779090.

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school of Physical Sciences, Swami Ramanand Teerth Marathwada University, Nanded-431 606. Maharashtra, India <em>E-mail:</em> akumbharkhane@yahoo.co.in L. B. S. College, Dharmabad-413 601, Maharashtra, India Rajashri Shahu Mahavidyalaya, Latur-413 512, Maharashtra, India Department of Computer Sciences and Information Technology, Dr. B. A. M. University, Aurangabad-431 004, Maharashtra, India <em>Manuscript received 9 April 2009, accepted 20 August 2009</em> The dielectric permitivity of methanol in chlorobenzene and 1,2-dichloroethane mixtures for various concentration and temperatures have b

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43

Bohanek, Vječislav, Barbara Štimac Tumara, Chan Hay Yee Serene, and Muhamed Sućeska. "Shock Initiation and Propagation of Detonation in ANFO." Energies 16, no. 4 (2023): 1744. http://dx.doi.org/10.3390/en16041744.

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The ammonium nitrate (AN) and fuel oil (FO) mixture known as ANFO is a typical representative of non-ideal explosives. In contrast to ideal explosives, the detonation behavior of ANFO exhibits a strong dependence on charge diameter, existence, and properties of confinement, with a large failure diameter and long distance required to establish steady-state detonation. In this study shock initiation and propagation of detonation in ANFO were studied experimentally by determining the detonation velocity at different distances from the initiation point, as well as by numerical modeling using AUTOD

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44

Khan, Zamir S., M. P. Lokhande, Avadhut Deshmukh, and A. C. Kumbharkhane. "Dielectric relaxation study of aqueous ethylene glycol mono-methyl ether (EGME) with water using time domain reflectometry technique in the frequency range 10MHz to 50GHz." Journal of Advanced Dielectrics 10, no. 03 (2020): 2050004. http://dx.doi.org/10.1142/s2010135x20500046.

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The Complex permittivity spectra of glycol ether (GE) compounds such as ethylene glycol mono-methyl ether (EGME) with water mixture over entire concentration range and in temperature range of 10–25∘C have been determined using Time Domain Reflectometry (TDR) technique in the frequency range 10[Formula: see text]MHz to 50[Formula: see text]GHz. The complex permittivity spectra for EGME-water were fitted in the Cole–Davidson model. The Static dielectric constant ([Formula: see text], Relaxation time ([Formula: see text], effective Kirkwood correlation factor ([Formula: see text], excess permitti

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Vasiltsova, Tatiana, Andreas Heintz, Holger Nadolny, and Hermann Weingärtner. "Application of a new statistical mechanical model for calculating Kirkwood factors in self associating liquid systems to alkanol + CCl4 mixtures." Physical Chemistry Chemical Physics 11, no. 14 (2009): 2408. http://dx.doi.org/10.1039/b818532h.

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Deb, Nipamanjari, Amit S. Tiwary, and Asok K. Mukherjee. "Calculation of the Kirkwood–Frohlich correlation factor and dielectric constant of methanol using a statistical model and density functional theory." Molecular Physics 108, no. 14 (2010): 1907–17. http://dx.doi.org/10.1080/00268976.2010.497776.

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Vasiltsova, Tatiana, and Andreas Heintz. "New statistical mechanical model for calculating Kirkwood factors in self-associating liquid systems and its application to alkanol+cyclohexane mixtures." Journal of Chemical Physics 127, no. 11 (2007): 114501. http://dx.doi.org/10.1063/1.2756839.

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Gerasymov, Oleg, Andrii Spivak, Iryna Andrianova, Liudmyla Sidletska, Vladyslav Kuryatnikov, and Andrii Kilian. "Micro-mechanical (granular) mixtures for environmental safety technologies." E3S Web of Conferences 234 (2021): 00075. http://dx.doi.org/10.1051/e3sconf/202123400075.

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One of the most significant problems that belong to effective use of granular materials GM (for example, in the construction, pharmacological, chemical, agricultural and some other industries, as well as in the technologies of screening against internal radiation) is the difficulty of ensuring their maximum compaction in order to increase the efficiency of their practical application. In this way, we study of the properties of binary granular systems, the dynamics of their compaction and the impact on this process of the ratio of component sizes and partial parameters in order to provide an in

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Jansen, S. "Cluster Expansions for GIBBS Point Processes." Advances in Applied Probability 51, no. 4 (2019): 1129–78. http://dx.doi.org/10.1017/apr.2019.46.

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AbstractWe provide a sufficient condition for the uniqueness in distribution of Gibbs point processes with non-negative pairwise interaction, together with convergent expansions of the log-Laplace functional, factorial moment densities and factorial cumulant densities (correlation functions and truncated correlation functions). The criterion is a continuum version of a convergence condition by Fernández and Procacci (2007), the proof is based on the Kirkwood–Salsburg integral equations and is close in spirit to the approach by Bissacot, Fernández, and Procacci (2010). In addition, we provide f

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Clark, Douglas S. "Characteristics of nearly dry enzymes in organic solvents: implications for biocatalysis in the absence of water." Philosophical Transactions of the Royal Society of London. Series B: Biological Sciences 359, no. 1448 (2004): 1299–307. http://dx.doi.org/10.1098/rstb.2004.1506.

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We have examined enzymes in nearly anhydrous organic solvents spanning a wide range of dielectric constants using a combination of electron paramagnetic resonance (EPR) spectroscopy, molecular dynamics simulations, high–pressure kinetic studies and the electrostatic model of Kirkwood. This approach enabled us to investigate the relationship between catalytic activity, protein flexibility and solvent polarity for an enzymatic reaction proceeding through a highly polar transition state in the near absence of water. Further insights into water–protein interactions and the involvement of water in

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