Self-diffusivities in multicomponent mixtures in zeolites
文献信息
Using the Maxwell–Stefan formulation for diffusion in zeolites as a basis, we develop a general analytic expression for the self-diffusivity of a component in a multicomponent mixture. Correlation effects are accounted for by the introduction of particle–particle “exchange” coefficients. Various formulae for estimation of these exchange coefficients have been postulated. The developed procedure for estimation of the self-diffusivity is verified by comparison with kinetic Monte Carlo simulations for binary and ternary mixtures in MFI zeolite and in a square lattice. Additional verification of the analytic model is obtained using published molecular dynamics simulations and experimental data.
相关文献
Palladium-, ligand-, and solvent-free synthesis of ynones by the coupling of acyl chlorides and terminal alkynes in the presence of a reusable copper nanoparticle catalyst
Weijiang Sun, Yan Wang, Xuan Wu, Xiaoquan Yao
DOI: 10.1039/C3GC40980E
Organocatalytic 1,3-dipolar cycloaddition reactions of ketones and azides with water as a solvent
Dwun Kit Jonathan Yeung, Tao Gao, Jiayao Huang, Shaofa Sun, Haibing Guo, Jian Wang
DOI: 10.1039/C3GC41126E
Atom-economical in situ synthesis of BaSO4 as imaging contrast agents within poly(N-isopropylacrylamide) microgels using one-step droplet microfluidics
Qin Wang, Di Zhang, Xiangliang Yang, Huibi Xu, Amy Q. Shen, Yajiang Yang
DOI: 10.1039/C3GC40728D
Preparation of PDMS membrane using water as solvent for pervaporation separation of butanol–water mixture
Shufeng Li, Fan Qin, Peiyong Qin, M. Nazmul Karim, Tianwei Tan
DOI: 10.1039/C3GC40291F
Mineral neogenesis as an inspiration for mild, solvent-free synthesis of bulk microporous metal–organic frameworks from metal (Zn, Co) oxides
Cristina Mottillo, Yuneng Lu, Minh-Hao Pham, Matthew J. Cliffe, Trong-On Do, Tomislav Friščić
DOI: 10.1039/C3GC40520F
Base initiated depolymerization of polycarbonates to epoxide and carbon dioxide co-monomers: a computational study
Donald J. Darensbourg, Andrew D. Yeung, Sheng-Hsuan Wei
DOI: 10.1039/C3GC40475G
Microwave-assisted synthesis of sulfonic acid-functionalized microporous materials for the catalytic etherification of glycerol with isobutene
María Dolores González, Pilar Salagre, Elena Taboada, Jordi Llorca, Yolanda Cesteros
DOI: 10.1039/C3GC40683K
Retracted Article: One-pot synthesis of glycidol from glycerol and dimethyl carbonate over a highly efficient and easily available solid catalyst NaAlO2
Rongxian Bai, Hongkun Zhang, Fuming Mei, Shu Wang, Tao Li, Guangxing Li
DOI: 10.1039/C3GC40855H
Merging the ring opening of benzoxazoles with secondary amines and an iron-catalyzed oxidative cyclization towards the environmentally friendly synthesis of 2-aminobenzoxazoles
Daqian Xu, Wenfang Wang, Chengxia Miao, Qiaohong Zhang, Chungu Xia, Wei Sun
DOI: 10.1039/C3GC41206G
您可能还喜欢
如何储存8-溴-4-羟基-6-(三氟甲氧基)喹啉-3-羧酸乙酯(CAS号:1072944-81-0)?
8-溴-4-羟基-6-(三氟甲氧基)喹啉-3-羧酸乙酯应储存在阴凉、干燥的地方,避免光照和高温。建议使用密封容器进行储存,以防止水分和空气的影响。
2,2-二(2-呋喃基)丙烷(CAS号:17920-88-6)的市场或研究趋势如何?
2,2-二(2-呋喃基)丙烷的研究趋势主要集中在新型材料的开发和应用,如高分子材料、有机光电材料等。市场趋势方面,随着环保要求的提高和新材料的应用,该化合物的需...
如何处理含有螺[呋喃并[3,4-b]吡啶-5(7H),4'-哌啶]-7-酮盐酸盐(CAS号:475152-31-9)的废料?
对于含有螺[呋喃并[3,4-b]吡啶-5(7H),4'-哌啶]-7-酮盐酸盐的废料,应首先进行分类和分离,以减少危险物质的数量。随后,可以考虑通过化学氧化、生物...
Cinnamyl 3-aminobut-2-enoate(CAS号:113898-97-8)安全吗?
Cinnamyl 3-氨基丁-2-烯酸在接触皮肤和眼睛时可能会引起刺激。应避免吸入其粉尘和烟雾。操作时应穿戴适当的个人防护装备,如手套、护目镜和实验室外套。
反式-2-十二碳烯二酸(CAS号:6402-36-4)的市场或研究趋势如何?
反式-2-十二碳烯二酸在医药、材料科学等领域有一定的应用,但其市场相对较小。近年来,由于环保意识的提升,对环境友好型化学品的需求增加,研究倾向于开发更绿色的合成...
什么是(9ci)-1H-苯并咪唑-5-乙酸(CAS号:473895-86-2)?
(9ci)-1H-苯并咪唑-5-乙酸是一种含氮杂环化合物,其化学结构为1H-苯并咪唑-5-乙酸。该化合物具有特定的分子式C8H7NO2,属于有机酸类化合物。
酞菁蓝(CAS号:147-14-8)的主要用途是什么?
酞菁蓝主要用作颜料和染料,广泛应用于塑料、油墨、涂料、纺织品及橡胶工业中。它也用于光敏材料,如太阳能电池和光刻胶。在医疗领域,酞菁蓝因其光敏特性被用于某些光动力...
5-甲基-1,2,3,4-四氢异喹啉(CAS号:123593-99-7)安全吗?
5-甲基-1,2,3,4-四氢异喹啉在使用和储存时需要谨慎处理。它具有一定的毒性,应避免吸入其蒸气或直接接触皮肤和眼睛。操作此化合物时,建议佩戴防护眼镜、实验服...
如何处理含有3',4',5'-三甲氧基苯乙酮(CAS号:1136-86-3)的废料?
含有3',4',5'-三甲氧基苯乙酮的废液应首先确保其是否为危险废物,根据当地法规确定处理方法。通常,这类有机废液可以采用中和反应降低其pH值,然后通过蒸馏或萃...
如何储存KI-7(CAS号:1489263-00-4)?
KI-7应储存在通风良好的干燥环境中,避免光照和高温。建议使用密封容器储存,并保持在阴凉处。储存温度应控制在室温范围内,一般建议不超过25°C。避免与氧化剂接触...
来源期刊
Physical Chemistry Chemical Physics

Physical Chemistry Chemical Physics (PCCP) is an international journal co-owned by 19 physical chemistry and physics societies from around the world. This journal publishes original, cutting-edge research in physical chemistry, chemical physics and biophysical chemistry. To be suitable for publication in PCCP, articles must include significant innovation and/or insight into physical chemistry; this is the most important criterion that reviewers and Editors will judge against when evaluating submissions. The journal has a broad scope and welcomes contributions spanning experiment, theory, computation and data science. Topical coverage includes spectroscopy, dynamics, kinetics, statistical mechanics, thermodynamics, electrochemistry, catalysis, surface science, quantum mechanics, quantum computing and machine learning. Interdisciplinary research areas such as polymers and soft matter, materials, nanoscience, energy, surfaces/interfaces, and biophysical chemistry are welcomed if they demonstrate significant innovation and/or insight into physical chemistry. Joined experimental/theoretical studies are particularly appreciated when complementary and based on up-to-date approaches.











![2-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraen-1-yloxy]-1,3-propanediol structure 2-[(5Z,8Z,11Z,14Z)-5,8,11,14-Icosatetraen-1-yloxy]-1,3-propanediol structure](https://cnstatic.chemtradehub.com/structs/222/222723-55-9-0348.webp)

![N-{3-[Benzyl(methyl)amino]propyl}-9-chloro-5,6,7,8-tetrahydro-2-acridinecarboxamide structure N-{3-[Benzyl(methyl)amino]propyl}-9-chloro-5,6,7,8-tetrahydro-2-acridinecarboxamide structure](https://cnstatic.chemtradehub.com/structs/142/1426944-49-1-1e4c.webp)
