改性纳米HZSM-5催化剂上甲苯与甲醇的烷基化反应

以Si,P,Mg复合改性的纳米HZSM-5为催化剂,进行了甲苯与甲醇的烷基化反应;并采用X射线衍射,NH3程序升温脱附,红外和低温N2吸附等方法研究了改性前后催化剂酸性质和孔结构的变化.在小型固定床反应器上,考察了载气量、反应温度和重时空速等反应条件对烷基化反应性能的影响.在2h-1,460℃,甲苯/甲醇比,水/烃比和...     

Strain and interfacial engineering to accelerate hydrogen evolution reaction of two-dimensional phosphorus carbide

Hydrogen,regarded as a promising energy carrier to alleviate the current energy crisis,can be generated from hydrogen evolution reaction(HER),whereas its efficiency is impeded by the activity of catalysts.Herein,effective strategies,such as strain and interfacial engineering,are imposed to tune the catalysis performance of novel two-dimensional(2D)phosphorus carbide(PC)layers using first-principle calculations.The findings show that P site in pristine monolayer PC(ML-PC)exhibits higher HER performance than C site.Intriguingly,constructing bilayer PC sheet(BL-PC)can change the coordinate configuration of P atom to form 3-coordination-P atom(3-co-P)and 4-coordination-P atom(4-co-P),and the original activity of 3-co-P site is higher than the 4-co-P site.When an external compressive strain is applied,the activity of the 4-co-P site is enhanced whereas the external strain can barely affect that of 3-co-P site.Interestingly,the graphene substrate enhances the overall activity of the BL-PC because the graphene substrate optimizes the?GH*value of 4-co-P site,although it can barely affect the HER activity of 3-co-P site and ML-PC.The desirable properties render 2 D PC-based material promising candidates for HER catalysts and shed light on the wide utilization in electrocatalysis.     

一种通过剪断最短桥确定复杂桥环化合物主环的方法介绍

确定主环是命名复杂桥环化合物的难点所在。我们介绍一种"剪断最短桥,显露最大环"的方法,可以帮助学生快速准确地确定最大环的位置,从而对复杂桥环化合物命名。     

可变形孔隙介质中热、水耦合力学问题的代数多格子分析方法

研究了孔隙介质中包括热和质量传递的全耦合多相流问题的代数多格子分析方法。数学模型包括质量、线性矩、能量平衡方程和本构方程,以位移、毛细压力、汽压和温度为基本变量,模型中采用了考虑毛细压力关系的修正有效应力概念,并考虑相变、热传导、对流和潜热交换(汽化-冷凝),气相是由易混合的干空气和水蒸气组成,视为理想气体。考题显示出较高的计算效率。     

AN ALGEBRAIC MULTIGRID METHOD FOR COUPLED THERMO-HYDRO-MECHANICAL PROBLEMS

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Mechanism analysis and improved model for stick-slip friction behavior considering stress distribution variation of interface

Studying the evolution of interface contact state, revealing the "black box" behavior in interface friction and establishing a more accurate friction model are of great significance to improve the prediction accuracy of mechanical system performance. Based on the principle of total reflection, a visual analysis technology of interface contact behavior is proposed. Considering the dynamic variation of stress distribution in interface contact, we analyze the nonlinear characteristics of contact parameters in different stages of stick-slip process using the above-mentioned experimental technology. Then, we find that the tangential stiffness of the interface is not a fixed value during the stick-slip process and the stress distribution variation is one of the important factors affecting the tangential stiffness of interface. Based on the previous experimental results, we present an improved stick-slip friction model, considering the change of tangential stiffness and friction coefficient caused by the stress distribution variation. This improved model can characterize the variation characteristics of contact parameters in different stages of stick-slip process, whose simulation results are in good agreement with the experimental data. This research may be valuable for improving the prediction accuracy of mechanical system performance.