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A density functional theory study of the adsorption of Hg and HgCl2 on a CaO(001) surface

GUO Xin, ZHENG Chuguang, LU Nanxia

《能源前沿(英文)》 2007年 第1卷 第1期   页码 101-104 doi: 10.1007/s11708-007-0011-0

摘要: The adsorption of mercury and mercury chloride on a CaO(001) surface was investigated by the density functional theory (DFT) by using CaO cluster embedded in an electrostatic field represented by 178 point charges at the crystal CaO lattice positions. For the mercury molecular axis normal to the surface, the mercury can only coordinate to the O anion and has a very weak binding energy of 19.649 kJ/mol. When the mercury chloride molecular axis is vertical to the surface, the Cl atom coordinates to the Ca cation and has a binding energy of 23.699 kJ/mol. When the mercury chloride molecular axis is parallel to the surface, the Hg atom coordinates to the O anion and has a binding energy of 87.829 kJ/mol, which means that the parallel geometry is more stable than the vertical one. The present calculations show that CaO injection could substantially reduce gaseous mercury chloride, but have no apparent effect on the mercury, which is compatible with the available experimental results. This research will provide valuable information for optimizing and selecting a sorbent for the trace element in flue gas.

关键词: mercury chloride     mercury molecular     surface     cluster     electrostatic    

Research on the theory and application of adsorbed natural gas used in new energy vehicles: A review

Zhengwei NIE,Yuyi LIN,Xiaoyi JIN

《机械工程前沿(英文)》 2016年 第11卷 第3期   页码 258-274 doi: 10.1007/s11465-016-0381-2

摘要:

Natural gas, whose primary constituent is methane, has been considered a convincing alternative for the growth of the energy supply worldwide. Adsorbed natural gas (ANG), the most promising methane storage method, has been an active field of study in the past two decades. ANG constitutes a safe and low-cost way to store methane for natural gas vehicles at an acceptable energy density while working at substantially low pressures (3.5–4.0 MPa), allowing for conformable store tank. This work serves to review the state-of-the-art development reported in the scientific literature on adsorbents, adsorption theories, ANG conformable tanks, and related technologies on ANG vehicles. Patent literature has also been searched and discussed. The review aims at illustrating both achievements and problems of the ANG technologies-based vehicles, as well as forecasting the development trends and critical issues to be resolved of these technologies.

关键词: adsorbed natural gas (ANG)     adsorbent     adsorption theory     conformable tank     natural gas vehicles (NGVs)    

Contributions of adsorption, bioreduction and desorption to uranium immobilization by extracellular polymeric

《环境科学与工程前沿(英文)》 2023年 第17卷 第9期 doi: 10.1007/s11783-023-1707-z

摘要:

● EPS immobilizes U(VI) via adsorption, bioreduction and desorption.

关键词: Adsorption     Bioreduction     Desorption     Kinetics     Isotherm     Uranium    

Polypropylene microplastics alter the cadmium adsorption capacity on different soil solid fractions

《环境科学与工程前沿(英文)》 2022年 第16卷 第1期   页码 3-3 doi: 10.1007/s11783-021-1437-z

摘要:

Microplastics (MPs) are widely present in a variety of environmental media and have attracted more and more attention worldwide. However, the effect of MPs on the interaction between heavy metals and soil, especially in soil solid fraction level, is not well understood. In this study, batch experiments were performed to investigate the adsorption characteristics of Cd in bulk soil and three soil solid fractions (i.e. particulate organo matter (POM), organic-mineral compounds (OMC), and mineral) with or without polypropylene (PP) MPs.

关键词: Polypropylene microplastics     Cadmium     Adsorption     POM     OMC     Mineral    

Cesium removal from radioactive wastewater by adsorption and membrane technology

《环境科学与工程前沿(英文)》 2023年 第18卷 第3期 doi: 10.1007/s11783-024-1798-1

摘要:

● Removal of cesium from radioactive wastewater is still a challenging.

关键词: Cesium     Adsorption     Membrane separation     Advanced liquid processing system     Fukushima nuclear accident    

Dual-functional sites for synergistic adsorption of Cr(VI) and Sb(V) by polyaniline-TiO hydrate: Adsorption

《环境科学与工程前沿(英文)》 2022年 第16卷 第8期 doi: 10.1007/s11783-022-1526-7

摘要:

• PANI/Ti(OH)n(4n)+ exhibited excellent adsorption capacity and reusability.

关键词: Polyaniline/TiO2     Chromium     Antimony     Adsorption     Desorption     Mechanism    

Kinetics and thermodynamics of the phosphine adsorption on the modified activated carbon

Bingnan REN

《化学科学与工程前沿(英文)》 2011年 第5卷 第2期   页码 203-208 doi: 10.1007/s11705-010-0571-0

摘要: The kinetics and the thermodynamics of phosphine (PH ) adsorption on the modified activated carbon have been explained for the adsorption process of PH . This study investigated the kinetic and thermodynamic properties of PH adsorption on the activated carbon impregnated with 5% HCl solution. The thermodynamic properties including PH adsorption isotherm and adsorption heat were separately investigated at 20°C, 70°C, 90°C. The results showed that the Freundlich-type isotherm equation described the isotherms well. The adsorption capacity increased with increasing temperature between 20°C and 70°C. Between 70°C and 90°C, the adsorption capacity decreased obviously with increasing temperature. The adsorption capacity reached the maximum at 70°C. By analyzing the results of the kinetics and the thermodynamics, we found that the adsorption of PH was dominated by physical adsorption at the lower temperature (20°C). Then with increasing temperature, chemical adsorption gradually dominated in the adsorption process. The adsorption capacity decreased at above 70°C is due to the exothermic effects in the process of adsorption.

关键词: adsorption     PH3     activated carbon     kinetics     thermodynamics    

An adsorption study of

Lingxiao FU, Jianhua ZU, Enxi GU, Huan WANG, Linfeng HE

《能源前沿(英文)》 2020年 第14卷 第1期   页码 11-17 doi: 10.1007/s11708-019-0634-y

摘要: Nanoscale zero-valent iron (nZVI) supported on D001 resin (D001-nZVI) was synthesized for adsorption of high solubility and mobility radionuclide Tc. Re(VII), a chemical substitute for Tc, was utilized in batch experiments to investigate the feasibility and adsorption mechanism toward Tc(VII). Factors (pH, resin dose) affecting Re(VII) adsorption were studied. The high adsorption efficiency of Re(VII) at pH= 3 and the solid-liquid ratio of 20 g/L. X-ray diffraction patterns revealed the reduction of into ReO immobilized in D001-nZVI. Based on the optimum conditions of Re(VII) adsorption, the removal experiments of Tc(VII) were conducted where the adsorption efficiency of Tc(VII) can reach 94%. Column experiments showed that the Thomas model gave a good fit to the adsorption process of Re(VII) and the maximum dynamic adsorption capacity was 0.2910 mg/g.

关键词: technetium     nanoscale zero-valent iron (nZVI)     D001 resin     adsorption    

解读建筑理论

顾孟潮

《中国工程科学》 2007年 第9卷 第11期   页码 100-102

摘要:

从解读建筑理论的定义与概念入手,对有中国特色的建筑理论框架及建筑理论的创新等问题提出 了自己的见解。

关键词: 建筑理论     建筑理论框架     建筑理论纵横框架     建筑理论的起点和终点     建筑理论创新    

Dialdehyde cellulose nanocrystal cross-linked chitosan foam with high adsorption capacity for removal

《化学科学与工程前沿(英文)》 2023年 第17卷 第7期   页码 853-866 doi: 10.1007/s11705-022-2256-x

摘要: The discharge of large amounts of dye-containing wastewater seriously threats the environment. Adsorbents have been adopted to remove these dyes present in the wastewater. However, the high adsorption capacity, predominant pH-responsibility, and excellent recyclability are three challenges to the development of efficient adsorbents. The poly(acryloxyethyl trimethylammonium chloride)-graft-dialdehyde cellulose nanocrystals were synthesized in our work. Subsequently, the cationic dialdehyde cellulose nanocrystal cross-linked chitosan nanocomposite foam was fabricated via freeze-drying of the hydrogel. Under the optimal ratio of the cationic dialdehyde cellulose nanocrystal/chitosan (w/w) of 12/100, the resultant foam (Foam-12) possesses excellent absorption properties, such as high porosity, high content of active sites, strong acid resistance, and high amorphous region. Then, Foam-12 was applied as an eco-friendly adsorbent to remove acid red 134 (a representative of anionic dyes) from aqueous solutions. The maximum dye adsorption capacity of 1238.1 mg∙g‒1 is achieved under the conditions of 20 mg∙L‒1 adsorbents, 100 mg∙L‒1 dye, pH 3.5, 24 h, and 25 °C. The dominant adsorption mechanism for the anionic dye adsorption is electrostatic attraction, and Foam-12 can effectively adsorb acid red 134 at pH 2.5–5.5 and be desorbed at pH 8. Its easy recovery and good reusability are verified by the repeated acid adsorption–alkaline desorption experiments.

关键词: chitosan foam     cellulose nanocrystals     acid red 134     adsorption    

Effect of gastric fluid on adsorption and desorption of endocrine disrupting chemicals on microplastics

《环境科学与工程前沿(英文)》 2022年 第16卷 第8期 doi: 10.1007/s11783-022-1525-8

摘要:

• Effect of gastric fluid on EDCs adsorption-desorption to microplastics was evaluated.

关键词: Microplastics     Gastric fluid     Endocrine-disrupting chemicals     Adsorption     Desorption    

Usability perceptions and beliefs about smart thermostats by chi-square test, signal detection theory, and fuzzy detection theory in regions of Mexico

Pedro PONCE, Therese PEFFER, Arturo MOLINA

《能源前沿(英文)》 2019年 第13卷 第3期   页码 522-538 doi: 10.1007/s11708-018-0562-2

摘要: It is well known that smart thermostats (STs) have become key devices in the implementation of smart homes; thus, they are considered as primary elements for the control of electrical energy consumption in households. Moreover, energy consumption is drastically affected when the end users select unsuitable STs or when they do not use the STs correctly. Furthermore, in future, Mexico will face serious electrical energy challenges that can be considerably resolved if the end users operate the STs in a correct manner. Hence, it is important to carry out an in-depth study and analysis on thermostats, by focusing on social aspects that influence the technological use and performance of the thermostats. This paper proposes the use of a signal detection theory (SDT), fuzzy detection theory (FDT), and chi-square (CS) test in order to understand the perceptions and beliefs of end users about the use of STs in Mexico. This paper extensively shows the perceptions and beliefs about the selected thermostats in Mexico. Besides, it presents an in-depth discussion on the cognitive perceptions and beliefs of end users. Moreover, it shows why the expectations of the end users about STs are not met. It also promotes the technological and social development of STs such that they are relatively more accepted in complex electrical grids such as smart grids.

关键词: thermostats     perceptions     beliefs     signal detection theory (SDT)     fuzzy signal detection theory (FSDT)     chi-square (CS) test    

Ammonia adsorption on graphene and graphene oxide: a first-principles study

Yue PENG, Junhua LI

《环境科学与工程前沿(英文)》 2013年 第7卷 第3期   页码 403-411 doi: 10.1007/s11783-013-0491-6

摘要: Motivated by the recent realization of graphene sensor to detect gas molecules that are harmful to the environment, the ammonia adsorption on graphene or graphene oxide (GO) was investigated using first-principles calculation. The optimal adsorption and orientation of the NH molecules on the graphene surfaces were determined, and the adsorption energies ( ) as well as the Mulliken charge transfers of NH were calculated. The for the graphene are small and seem to be independent of the sites and orientations. The surface epoxy or hydroxyl groups can promote the adsorption of NH on the GO; the enhancement of the for the hydroxyl groups is greater than that for the epoxy groups on the surface. The charge transfers from the molecule to the surfaces also exhibit the same trend. The Br?nsted acid sites and Lewis acid sites could stably exist on the GO with surface hydroxyl groups and on the basal, respectively.

关键词: graphene oxide     first-principles calculations     NH3 adsorption    

Fabrication of coconut shell-derived porous carbons for CO adsorption application

《化学科学与工程前沿(英文)》 2023年 第17卷 第8期   页码 1122-1130 doi: 10.1007/s11705-022-2292-6

摘要: Biomass-derived porous carbons have been considered as the most potential candidate for effective CO2 adsorbent thanks to being widely-available precursor and having highly porous structure and stable chemical/physical features. However, the biomass-derived porous carbons still suffer from the poor optimization process in terms of the synthesis conditions. Herein, we have successfully fabricated coconut shell-derived porous carbon by a simple one-step synthesis process. The as-prepared carbon exhibits advanced textual activity together with well-designed micropore morphology and possesses oxygen-containing functional groups (reached 18.81 wt %) within the carbon matrix. Depending on the different activating temperatures (from 700 to 800 °C) and KOH/biomass mass ratios (from 0.3 to 1), the 750 °C and 0.5 mass ratio were found to be enabling the highest CO2 capture performance. The optimal adsorbent was achieved a high CO2 uptake capacity of 5.92 and 4.15 mmol·g−1 at 0 and 25 °C (1 bar), respectively. More importantly, as-prepared carbon adsorbent exhibited moderate isosteric heat of adsorption and high CO2/N2 selectivity. The results were revealed not only the textural feature but also the surface functional groups critically determine the CO2 capture performance, indicating coconut shell-derived porous carbon has a considerable potential as a solid-state adsorbent for the CO2 capture.

关键词: porous carbons     CO2 adsorption     KOH activation     single step reaction     biomass    

知行学引论——信息 知识 智能的统一理论

钟义信

《中国工程科学》 2004年 第6卷 第6期   页码 1-8

摘要:

资源乃人类生存之源。科学技术的任务就要揭示资源的性质及其转换规律,以创造先进工具,扩展人的能力,改善人类的生存发展条件。近代科学揭示了物质和能量两类资源的性质和转换规律,创造和不断改进了人力工具和动力工具,创造了辉煌的工业时代文明:文章试图总结信息资源的性质及其转换规律,阐明信息—知识—智能的统一理论,构建知行学,为创造各种智能工具奠定理论基础。

关键词: 信息论     知识论     智能论     知行学    

标题 作者 时间 类型 操作

A density functional theory study of the adsorption of Hg and HgCl2 on a CaO(001) surface

GUO Xin, ZHENG Chuguang, LU Nanxia

期刊论文

Research on the theory and application of adsorbed natural gas used in new energy vehicles: A review

Zhengwei NIE,Yuyi LIN,Xiaoyi JIN

期刊论文

Contributions of adsorption, bioreduction and desorption to uranium immobilization by extracellular polymeric

期刊论文

Polypropylene microplastics alter the cadmium adsorption capacity on different soil solid fractions

期刊论文

Cesium removal from radioactive wastewater by adsorption and membrane technology

期刊论文

Dual-functional sites for synergistic adsorption of Cr(VI) and Sb(V) by polyaniline-TiO hydrate: Adsorption

期刊论文

Kinetics and thermodynamics of the phosphine adsorption on the modified activated carbon

Bingnan REN

期刊论文

An adsorption study of

Lingxiao FU, Jianhua ZU, Enxi GU, Huan WANG, Linfeng HE

期刊论文

解读建筑理论

顾孟潮

期刊论文

Dialdehyde cellulose nanocrystal cross-linked chitosan foam with high adsorption capacity for removal

期刊论文

Effect of gastric fluid on adsorption and desorption of endocrine disrupting chemicals on microplastics

期刊论文

Usability perceptions and beliefs about smart thermostats by chi-square test, signal detection theory, and fuzzy detection theory in regions of Mexico

Pedro PONCE, Therese PEFFER, Arturo MOLINA

期刊论文

Ammonia adsorption on graphene and graphene oxide: a first-principles study

Yue PENG, Junhua LI

期刊论文

Fabrication of coconut shell-derived porous carbons for CO adsorption application

期刊论文

知行学引论——信息 知识 智能的统一理论

钟义信

期刊论文