Time-dependent Wave Packet Quantum Scattering Study of Reaction S（3p）＋H2→HS＋H on a New ab initio Potential Energy Surface 3A’

A new potential energy surface is presented for the triplet state 3At of the chemical reaction S（3P）＋H2 from a set of accurate ab initio data. The single point energies are computed using highly correlated complete active space self-consistent-field and multi-reference configuration interaction wave functions with a basis set of aug-cc-pV5Z. We have fitted the full set of energy values using many-body expansion method with an Aguado-Paniagua function. Based on the new potential energy surface, we carry out the time-dependent wave packet scattering calculations over the collision energy range of 0.8-2.2 eV. Both the centrifugalsudden approximation and Coriolis Coupling cross sections are obtained. In addition, the total reaction probabilities are calculated for the reactant H2 initially in the vibrational states v=0-3 （j=0）. It is found that initial vibrational excitation enhances the title reaction.

Global Weak Solutions to a Fluid-particle System of an Incompressible Non-Newtonian Fluid and the Vlasov Equation

The purpose of this work is to investigate the existence and uniqueness of weak solutions to the initial-boundary value problem for a coupled system of an incompressible non-Newtonian fluid and the Vlasov equation.The coupling arises from the acceleration in the Vlasov equation and the drag force in the incompressible viscous non-Newtonian fluid with the stress tensor of a power-law structure for p≥11/5.The main idea of the existence analysis is to reformulate the coupled system by means of a so-called truncation function.The advantage of the new formulation is to control the external force term G=-∫Rd(u-v)fdc(d=2,3).The global existence of weak solutions to the reformulated system is shown by using the Faedo-Galerkin method and weak compactness techniques.We further prove the uniqueness of weak solutions to the considered system.

Comparative Studies on the Allelopathic Effects of Ulva pertusa Kjellml, Corllina pilulifera Postl et Ruprl, and Sargassum thunbergii mertl O. Kuntze on Skeletonema costatum （Grev.）Cleve

In the present study, we evaluated the allelopathic effects of three macroalgae, namely Ulva pertusa Kjellml, Corallina pilufifera Postl et Ruprl, and Sargassum thunbergii Mertl O. Kuntze, on the growth of the microalga Skeletonema costaturn （Grev.） Creve using culture systems in which the algae coexisted. The effects of the macroalgal culture medium filtrate on S. costatum were also investigated. Moreover, isolated co-culture systems were built to confirm the existence of allelochemicals and preclude growth inhibition by direct contact. The coexistence assay data demonstrated that the growth of S. costaturn was strongly inhibited when fresh tissues, dry powder and aqueous extracts were used; the allelochemicals were lethal to S. costatum at relatively higher concentrations. The effects of the macroalgal culture medium filtrate on the microalga showed both species specificity and complexity. The inhibitory effect of fresh macroalgal tissue and culture medium filtrate on the microalga was due to the alleochemicals released by the macroalgae. The results of the present study show that the allelopathic effects of macroalgae on the microalga are complex. The present study could shed light onto the basis of the interaction between macro- and microalgae.