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670 results on '"Wang, Haobin"'

104. Coexistence of Contact Electrification and Dynamic p–n Junction Modulation Effects in Triboelectrification

Author

Wang, Haobin, primary, Huang, Shuyi, additional, Kuang, Haoze, additional, Zou, Taoyu, additional, Rajagopalan, Pandey, additional, Wang, Xiaozhi, additional, Li, Yubo, additional, Jin, Hao, additional, Dong, Shurong, additional, Zhou, Hang, additional, Hasan, Tawfique, additional, Occhipinti, Luigi G., additional, Kim, Jong Min, additional, and Luo, Jikui, additional

Published
2022
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105. A unified view of hierarchy approach and formula of differentiation.

Author

Yan, Yun-An, Wang, Haobin, and Shao, Jiushu

Subjects
*LINEAR differential equations, *STOCHASTIC differential equations, *ORDINARY differential equations
Abstract

The stochastic differential equation is a powerful tool for describing the dynamics of a dissipative system in which noise characterizes the influence of the environment. For the Ornstein-Uhlenbeck noise, both the formula of differentiation and the hierarchy approach provide efficient numerical simulations, with the stochastic differential equation transformed into a set of coupled, linear ordinary differential equations. We show that while these two deterministic schemes result in different sets of equations, they can be regarded as two representations of an underlying linear-dynamics. Moreover, by manipulating the involved Ornstein-Uhlenbeck noise, we propose a unified algorithm that may reduce to the hierarchy approach or the formula of differentiation in different limits. We further analyze the numerical performance of this algorithm and find that the hierarchy approach appears to be more efficient for our numerical model studies. [ABSTRACT FROM AUTHOR]

Published
2019
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147. 'Direct' calculation of thermal rate constants for the F + H2 --> HF + F reaction

Author

Wang, Haobin, Thompson, Ward H., and Miller, William H.

Subjects
Chemical reactions -- Measurement, Chemical reaction, Rate of -- Measurement, Chemicals, plastics and rubber industries
Abstract

The thermal rate constant for the F + H2 reaction has been derived from the time integral of the flux-flux autocorrelation function. The contribution to the rate for total angular momentum J > 0 was treated both exactly and also by J-shifting and principal axis helicity-conserving approximations. The results obtained show good agreement with the experimental results obtained by Wurzberg et al at T = 300 K. However, it is expected that inclusion of the spin-orbit coupling in the potential energy surface will raise the effective classical barrier height by O.3 to 0.4 kcal/mol.

Published
1998

148. Linear free energy of activation relationship for barrierless association reactions

Author

Sainte Claire, Pascal de, Peslherbe, Gilles H., Wang, Haobin, and Hase, William L.

Subjects
Radicals (Chemistry) -- Analysis, Chemical reactions -- Analysis, Chemistry
Abstract

The association constants and their relations to the thermodynamic activation parameter were evaluated through studies of semiempirical model. It was observed that the free energy of activation of deltaG was linear with temperature. This suggested that the two parameters, free energy activation and the slope of delta G, can be used to calculate the association rate constant against temperature.

Published
1997

149. Kinetics of F- + CH3Cl S(sub N)2 nucleophilic substitution

Author

Wang, Haobin and Hase, William L.

Subjects
Chemical reaction, Rate of -- Analysis, Statistics -- Usage, Chemistry
Abstract

Ab initio calculations were done to characterize the kinetics of F- + CH3Cl S(sub N)2 nucleophilic substitution. In particular, the rate constant versus relative translational energy E(sub rel) and CH3Cl temperature T were calculated. The results were found to be suggestive that during the entrance channel capture dynamics, the F- + CH3Cl relative translation and CH3Cl rotation motions are strongly and weakly coupled at low and high E(sub rel), respectively.

Published
1997

150. Temperature dependence of the rate constants and branching ratios for the reactions of Cl(super -)(D(sub 2)O)(sub 1-3) with CH3Br and thermal dissociation rates for Cl-(CH3Br)

Author

Seeley, John V., Morris, Robert A., Viggiano, A.A., Wang, Haobin, and Hase, William L.

Subjects
Chlorine -- Research, Ligands -- Research, Dissociation -- Research, Chemistry
Abstract

The rate constants and products for the reactions of Cl-(D2O)n + CH3Br (n=1-3) were determined. The n=1 reaction was examined from 238 to 478 K. The reaction mechanism was found to be ligand switching to form cl-(CH3Br) followed by thermal decomposition of the complex. Cl-(CH3Br) decompositions produces greater than 90% Br- + CH3Cl with the remainder being Cl- + CH3Br. The n=2 and 3 reactions also proceeded by ligand switching followed by thermal decomposition. The n=2 reaction was examined from 203 to 298 K. The main product was Cl-(D2O) with a smaller amount of Cl-(D2O)(CH3Br).

Published
1997

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