Search

Dielectric barrier discharge (DBD) plasma is a potential tool in the field of in situ CO2 conversion with the low‐pressure environment of Mars. CO is an important intermediate product in the conversion process of CO2. Understanding the pathways and dynamics that govern the generation of CO in CO2 plasmas establishes the foundation for effective regulation. In this work, parallel‐plate DBD structure was employed in our experiment and one‐dimensional fluid simulation model. The findings indicate that CO primarily originates at the boundary of the cathode potential fall region, and it subsequently migrates toward the surface of instantaneous cathode where it accumulates. The thickness of CO‐enriched region is approximately 0.8 mm. During this process, CO migration speed reaches about 2000 m/s. It is worth noting that surface reactions at the instantaneous cathode and anode surfaces contribute only 0.24% to CO generation, in contrast to the predominant influence of impact dissociation reaction between CO2 and electrons (e + CO2 → 2e + CO + O+) at 53.21%, and two‐body decomposition reaction between O+ and CO2 (O+ + CO2 → O +2 + CO) at 35.88%. Finally, the primary factors influencing the migration of CO from production sites to enrichment regions are determined to be particle collisions and momentum exchange between ions and CO, followed by electro‐hydro dynamics force, while dielectrophoresis forces have minimal effect. [ABSTRACT FROM AUTHOR]

Purpose: To compare the subjective refraction and Innov-Eyes (Alcon Laboratories, Inc) wavefront-measured refraction in patients with myopia and astigmatism before refractive surgery. Methods: Consecutive myopic patients planning to receive refractive surgery with ages between 18 and 50 years old were retrospectively enrolled. The subjective and wavefront-measured refraction (InnovEyes platform) were compared, and the influential factors for the measurement difference were analyzed. Results: Of the 500 eyes enrolled, the mean age was 29.3 ± 6.8 years. Mean wavefront-measured refraction was 0.58 ± 0.62 diopters (D) more myopic and 0.10 ± 0.27 D more astigmatic than subjective refraction (P <.001). Wavefront-measured refraction exhibited excellent consistency and significant correlation with subjective refraction. Linear regression demonstrated that age (P =.008) and wavefront-measured sphere standard deviation (P <.001) were positively correlated with spherical measurement difference, and total quality score (P <.001) and accommodative response (binocular cross-cylinder) (P =.011) demonstrated a negative correlation with spherical and cylindrical measurement difference. The patients with low wavefront measurement quality had significantly greater spherical differences than those with high-quality measurement (P <.001). The patients with accommodative lead had greater spherical equivalent differences than other participants (P =.047). Conclusions: Wavefront-measured refraction had excellent consistency with subjective refraction, although it measured more myopia and astigmatism than subjective refraction. The spherical measurement difference was greater in older patients and those with accommodative lead. More stable and higher quality repeated measurements will yield closer results between wavefront-measured and subjective refraction. [J Refract Surg. 2024;40(11):e836–e844.] [ABSTRACT FROM AUTHOR]

Aiming at the severe pollution caused by the existing shrink proofing treatment of wool fabric by chlorination method, the protease Savinase 16L and the substrate activator LKZ-630 were used to form a protease-catalyzed system to carry out the shrink proofing finishing of wool fabrics in the way of multiple padding. The results show that the total area shrinkage of wool fabrics was reduced from 14.6% to 1.0% after protease treatment, which met the requirement of machine-washable. The scales of the treated wool became thinner and smoother, and the warp-breaking strength was reduced by 14.63%. In addition, the treated fabrics had good wettability, deep dyeing, and a soft hand feel. [ABSTRACT FROM AUTHOR]

Building on the TMT behavioral integration of upper echelon theory, this study explores whether the stability of top management team (TMT) affects sustainable corporate social responsible activities (CSR). We also examine how the TMT stability-sustainable CSR relationship is moderated by CEO power. Analyzing a dataset of publicly listed firms in China for the period of 2009–2017, we provide evidence that a relatively stable TMT engages in sustainable CSR. This finding supports the argument that a stable TMT focuses on long-term sustainable development. Moreover, the positive effect of TMT stability on sustainable CSR is pronounced only for firms with weak CEO power. Further analysis shows that a positive association between TMT stability and sustainable CSR occurs for firms in CSR-sensitive industries and in an environment with low economic uncertainty. We then confirm that TMT stability positively affects sustainable CSR by improving team cohesion, which in turn contributes to higher firm performance and lower operational risk. [ABSTRACT FROM AUTHOR]

Accurate quantum reactive calculations for the reaction Li + HD + ( v = 0 , 1 , j = 0) have been performed on the potential energy surface of Martinazzo et al. [J. Chem. Phys. 119 (21), 11241 (2003)] with the time-dependent wave packet coupled-channel approach. The reaction probabilities reveal that the Coriolis coupling effect is significant to the title reaction particularly for the larger mass product LiD. The total differential cross-sections for LiH and LiD indicate that vibrational and translational excitation of HD + stimulate products scatter in the forward regions. For the v = 0 reaction, the products LiH and LiD in low vibrational states show pronounced sideways scattering, while products in higher vibrational states scatter preferentially towards forward/backward regions. For the v = 1 reaction, the scattering in the forward regions is more intense than in the backward regions for both products in each vibrational state. An analysis of the total and state-resolved opacity functions reveal that the reactivity of the title reaction is promoted by high J collisions, and that the angular distributions of the products correlate strongly with low and high J values. [ABSTRACT FROM AUTHOR]

The accurately calculated thermal rate constants of the C+ + H2(v = 0, 1) reaction are important for estimating the CH+ emission spectra in different astronomical environments. In this study, reactive quantum dynamics of the C+ + H2(v = 0, 1) reaction have been investigated with the time-dependent wave packet method on the high-quality potential energy surface recently developed by Guo et al. The simulated total cross sections are compared in detail with previous experimental measurements and dynamical results. The calculated total rate constants are found to be in good agreement with previous quasi-classical results by Herráez-Aguilar et al., except for the v = 0 reaction at low temperatures. The ro-vibrational state-resolved rate constants show that the CH+ product, obtained from both the v = 0 and v = 1 reactions, is significantly populated in the vibrational ground but rotational excited states. In particular, for the v = 0 reaction, the CH+ product is preferably formed at j′ = 4, 5 rotational levels, while the CH+ product for the v = 1 reaction prefers rotational excitation j′ = 6–8. This finding varies with previous J-shifting calculations by Zanchet et al., owing to the different potential energy surface and methodology employed in the calculations. [ABSTRACT FROM AUTHOR]

The study of K + H2 collision has a long experimental history, but there have been few theoretical studies due to lack of a global potential energy surface (PES). In this study, a new global PES for the ground state of KH2 system was constructed based on numerous ab initio points, using the permutation invariant polynomial neural network method. The root mean square error (RMSE) of PES is very small (5.64 meV). On the new PES, time-dependent quantum wave packet (TDWP) and quasiclassical trajectory (QCT) calculations were carried out to study the dynamics of the K(2S) + H2(X1Σ+g) → H(2S) + KH(X1Σ+) reaction. Dynamics results show that (i) the K + H2(v = 0) → H + KH reaction scarcely occurred, (ii) the K + H2(v = 1) → H + KH reaction took place in small quantities, and (iii) the K + H2(v = 2) → H + KH reaction occurred in large quantities. This indicates that vibrational energy of the reactant is significantly more effective at promoting the reaction than the translational energy. This characteristic stems from a major physical model in reactive collisions: the vibrationally excited H2 molecule and K atom collide first in a T-geometric configuration and the vibrational motion of the H2 molecule helps separate the two H atoms a large distance after the collision. At a large H–H distance, a broad well exists on the PES, so the heavy K atom could pull back the light H atom to initiate the reaction. Similar to the reactive channel, vibrational excitation of the reactant also has a significant effect on the collision-induced dissociation channel. [ABSTRACT FROM AUTHOR]

The study of K + H2 collision has a long experimental history, but there have been few theoretical studies due to lack of a global potential energy surface (PES). In this study, a new global PES for the ground state of KH2 system was constructed based on numerous ab initio points, using the permutation invariant polynomial neural network method. The root mean square error (RMSE) of PES is very small (5.64 meV). On the new PES, time-dependent quantum wave packet (TDWP) and quasiclassical trajectory (QCT) calculations were carried out to study the dynamics of the K(2S) + H2(X1Σ+g) → H(2S) + KH(X1Σ+) reaction. Dynamics results show that (i) the K + H2(v = 0) → H + KH reaction scarcely occurred, (ii) the K + H2(v = 1) → H + KH reaction took place in small quantities, and (iii) the K + H2(v = 2) → H + KH reaction occurred in large quantities. This indicates that vibrational energy of the reactant is significantly more effective at promoting the reaction than the translational energy. This characteristic stems from a major physical model in reactive collisions: the vibrationally excited H2 molecule and K atom collide first in a T-geometric configuration and the vibrational motion of the H2 molecule helps separate the two H atoms a large distance after the collision. At a large H-H distance, a broad well exists on the PES, so the heavy K atom could pull back the light H atom to initiate the reaction. Similar to the reactive channel, vibrational excitation of the reactant also has a significant effect on the collision-induced dissociation channel.

The time-dependent wave packet quantum method taking into account the Coriolis coupling (CC) has been employed to investigate the dynamics of O(+) + H(2)/D(2)/HD (v(i) = 0, j(i) = 0) reactions based on an accurate potential energy surface [ Martínez et al. J. Chem. Phys. 2004 , 120 , 4705 ]. Through the comparison between the results with and without CC, the pronounced CC effects have been revealed in the title reactions. Moreover, the calculated results with the CC method can well reproduce the data of close-coupling hyperspherical (CCH) exact quantum method. The calculations demonstrate that the CC effects play an important role in the O(+) + H(2) system.