Mechanism of methanol decomposition on the Pd/WC(0001) surface unveiled by first-principles calculations

In this study, the decomposition of methanol into the CO and H species on the Pd/tungsten carbide (WC)(0001) surface is systematically investigated using periodic density functional theory (DFT) calculations. The possible reaction pathways and intermediates are determined. The results reveal that saturated molecules, i.e., methanol and formaldehyde, adsorb weakly on the Pd/ WC(0001) surface. Both CO and H prefer three-fold sites, with adsorption energies of −1.51 and −2.67 eV, respectively. On the other hand, CH₃O stably binds at three-fold and bridge sites, with an adsorption energy of −2.58 eV. However, most of the other intermediates tend to adsorb to the surface with the carbon and oxygen atoms in their sp³ and hydroxyl-like configurations, respectively. Hence, the C atom of CH₂OH preferentially attaches to the top sites, CHOH and CH₂O adsorb at the bridge sites, while COH and CHO occupy the three-fold sites. The DFT calculations indicate that the rupture of the initial C–H bond promotes the decomposition of CH₃OH and CH₂OH, whereas in the case of CHOH, O–H bond scission is favored over the C–H bond rupture. Thus, the most probable methanol decomposition pathway on the Pd/WC(0001) surface is CH₃OH → CH₂OH → trans-CHOH → CHO → CO. The present study demonstrates that the synergistic effect of WC (as carrier) and Pd (as catalyst) alters the CH₃OH decomposition pathway and reduces the noble metal utilization.     

探地雷达在地下管线探测中的应用

探地雷达技术是如今适应快速、准确、无损地探测地下障碍物而迅速发展的电磁技术。文中介绍了探地雷达的工作原理及工作方式，并通过结合工程实例来探讨探地雷达在地下管线探测中的广泛应用。     

成熟油田应用技术的潜能开发

成熟油田应用技术的影响力和潜力是巨大的,技术的有效开发和推广应用对油田的可持续发现和发展至关重要.业界达成共识,生产经营者与供应商之间的有效沟通以及技术方案的有效应用是开发技术潜力的关键.     

介孔分子筛SBA-15表面的胺基功能化

采用γ-胺丙基三甲氧基硅烷与表面硅羟基的反应,对介孔分子筛SBA-15进行了有机胺功能化,并对其进行了表征.XRD、SEM、比表面积测定、元素分析、TG和FT-IR的测定结果均表明,SBA-15表面成功地接枝上了有机胺功能基团,而六方结构特征基本保持.     

利用中石油域用户认证系统实现数据存储备份

系统面向中石油域用户提供了安全、高速的数据传输服务.实现了数据传输DES加密、用户登录LDAP限制、系统安全审计、空间容量扩容等功能.充分利用SAN网络光存储设备,同时也为油田网络存储应用的开发提供了成功经验.     

吴岭水库土坝渗流及坝坡稳定性分析

本文对湖北省京山县吴岭水库土坝进行了有限元渗流计算和坝坡稳定性计算,在分析大坝基础部位的残坡积土、强风化砂岩的强透水性和下游排水体对于大坝渗流场的影响的基础上,得出渗流是引起下游坝坡不稳定的主要因素,为大坝的加固处理提供了理论依据,也可供同类土坝设计时参考。     

国际咨询工程师联合会(FIDIC)2005年年会中国·北京2005年9月4日--8日欢迎辞

世界工程咨询业的精英们将齐聚中国北京,参加国际咨询工程师联合会(FIDIC)2005年年会、成员协会代表大会和中国商机展示、推介、洽谈会.     

The new structure of fibre glass reinforced plastics bolt

The develop actuality and direction of FRP (fibre glass reinforced plastics) bolt in the world are analyzed. The new type structure of FRP bolt was designed. Trial data indicate that, all kinds of capability target of this FRP bolt all achieve and exceed the country stand-ard, substitute present metal bolt, wood bolt and bamboo bolt and other side bolt, it can gain magnitude technology and economy benefit. FRP bolt mechanization product line produce ef-ficiency is high, its throughput a day are 750 base, this can meet demand of hit-small mining company.     

喷墨打印相纸及打印图像质量的分析

喷墨打印相纸随着数码相机的发展近几年在国内发展迅速。针对目前产品质量没有测量标准的现状,提出喷墨相纸的质量指标主要为4个,即白度、光泽度、油墨吸收性和防水性。给出了相应的测量方法。并指出相纸上油墨点的面积是衡量质量的第一重要指标,其次是点的圆度。另外对图像输出的质量介绍了一种科学的评价方法,即图像的逼真性分析。说明图像的打印墨点直径不应小于方形像素的对角线长,图像才能真实再现。