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11.
Eugene Shrimpton-Phoenix Dr. John B. O. Mitchell Prof. Michael Bühl 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(70):e202201728
Is-PETase has become an enzyme of significant interest due to its ability to catalyse the degradation of polyethylene terephthalate (PET) at mesophilic temperatures. We performed hybrid quantum mechanics and molecular mechanics (QM/MM) at the DSD-PBEP86-D3/ma-def2-TZVP/CHARMM27//rev-PBE-D3/dev2-SVP/CHARMM level to calculate the energy profile for the degradation of a suitable PET model by this enzyme. Very low overall barriers are computed for serine protease-type hydrolysis steps (as low as 34.1 kJ mol−1). Spontaneous deprotonation of the final product, terephthalic acid, with a high computed driving force indicates that product release could be rate limiting. 相似文献
12.
无机纳米颗粒在塑料抗紫外的研究中一直备受关注,主要介绍了四种(TiO2、ZnO、SiO2、CeO2)典型的无机纳米颗粒在该领域的应用。首先归纳了其既能吸收又能反射或散射紫外线的抗紫外机理;其次,分别论述了不同无机纳米颗粒适用的紫外光波长范围,以在塑料中的添加方法和应用特点为主线,重点介绍了国内外四种无机纳米颗粒在塑料抗紫外性能中的研究现状和进展;最后,将四种无机纳米颗粒在塑料抗紫外性能中的应用特点进行了对比,提出了应用过程中存在的分散和相容性差等问题,以期为无机纳米颗粒的深入应用和发展提供一定的参考。 相似文献
13.
To study phase transition kinetics on submillisecond time scale a sensitive ultrafast nanocalorimeter was constructed. Controlled
ultrafast cooling, as well as heating, up to 106K/s was attained. The method was applied for the measurements of the superheating phenomenon in a set of linear polymers:
iPS, PBT, PET, and iPP. A power law relation between the superheating and the heating rate holds in the heating rate range
10-2-104K/s. A limiting superheating of about 10% of the melting temperature was observed at rates above 104-105K/s. This limit depends on annealing conditions before sample melting. The observed superheating limit, as well as the power
law, can be accounted for the internal stresses near the crystalline amorphous interface in semicrystalline polymers induced
by heating, which are related to the thermal expansion gradients inherent in a semicrystalline material. 相似文献
14.
This paper investigates finite-stretching corrections
to the classical Milner-Witten-Cates theory for semi-dilute
polymer brushes in a good solvent. The dominant correction to the
free energy originates from an entropic repulsion caused by the
impenetrability of the grafting surface, which produces a
depletion of segments extending a distance μ∝L-1
from the substrate, where L is the classical brush height. The
next most important correction is associated with the
translational entropy of the chain ends, which creates the
well-known tail where a small population of chains extend beyond
the classical brush height by a distance ξ∝L-1/3.
The validity of these corrections is confirmed by quantitative
comparison with numerical self-consistent field theory. 相似文献
15.
Xingchen Jiao Kai Zheng Qingxia Chen Xiaodong Li Yamin Li Weiwei Shao Jiaqi Xu Junfa Zhu Yang Pan Yongfu Sun Yi Xie 《Angewandte Chemie (International ed. in English)》2020,59(36):15497-15501
Reported here is the first highly selective conversion of various waste plastics into C2 fuels under simulated natural environment conditions by a sequential photoinduced C?C cleavage and coupling pathway, where single‐use bags, disposable food containers, food wrap films, and their main components of polyethylene, polypropylene, and polyvinyl chloride can be photocatalytically transformed into CH3COOH without using sacrificial agents. As an example, polyethylene is photodegraded 100 % into CO2 within 40 h by single‐unit‐cell thick Nb2O5 layers, while the produced CO2 is further photoreduced to CH3COOH. Various methods and experiments disclose that O2 and .OH radicals trigger the oxidative C?C cleavage of polyethylene to form CO2, while other investigations show that the yielded CH3COOH stems from CO2 photoreduction by C?C coupling of .COOH intermediates. This two‐step plastic‐to‐fuel conversion may help to simultaneously address the white pollution crisis and harvest highly valuable multicarbon fuels in natural environments. 相似文献
16.
17.
溶胶-凝胶富勒烯固相微萃取-气相色谱法测定塑料水浸泡液中多种邻苯二甲酸二酯 总被引:6,自引:0,他引:6
利用新型溶胶-凝胶富勒烯涂层,结合顶空固相微萃取-气相色谱法-FID检测,对PVC塑料制品在水溶液浸泡液中的12种邻苯二甲酸二酯进行了分析和测定,其检出限为0.097~3.646 μg/L;回收率为87.9%~107%;RSD<8%.对12种邻苯二甲酸二酯类增塑剂的固相微萃取条件和色谱条件进行了优化,并与商用固相微萃取聚二甲基硅氧烷(PDMS)探头的性能进行了比较.本方法应用于PVC玩具及PVC餐垫样品的分析,结果令人满意. 相似文献
18.
《Journal of Dispersion Science and Technology》2013,34(3-4):305-341
Abstract Plasma treatment of polymers encompasses a variety of plasma technologies and polymeric materials for a wide range of applications and dates back to at least the 1960s. In this article we provide a brief review of the United States patent literature on plasma surface modification technologies and a brief review of the scientific literature on investigations of the effects of plasma treatment, the nature of the plasma environment, and the mechanisms that drive the plasma–surface interaction. We then discuss low‐radio‐frequency capacitively coupled nitrogen plasmas and their characteristics, suggesting that they provide significant plasma densities and populations of reactive species for effective plasma treatments on a variety of materials, particularly when placing the sample surface in the cathode sheath region. We further discuss surface chemical characterization of treated polymers, including some results on polyesters treated in capacitively coupled nitrogen plasmas driven at 40 kHz. Finally, we connect plasma characterization with surface chemical analysis by applying a surface sites model to nitrogen uptake of poly(ethylene terephthalate) (PET) and poly(ethylene naphthalate) (PEN) treated in a 40 kHz nitrogen plasma. This example serves to suggest an interesting practical approach to comparisons of plasma treatments. In addition, it suggests an approach to defining the investigations required to conclusively identify the underlying treatment mechanisms. 相似文献
19.
K. Broderix M. Weigt A. Zippelius 《The European Physical Journal B - Condensed Matter and Complex Systems》2002,29(3):441-455
We consider the gelation of particles which are permanently connected by random crosslinks, drawn from an ensemble of finite-dimensional
continuum percolation. To average over the randomness, we apply the replica trick, and interpret the replicated and crosslink-averaged
model as an effective molecular fluid. A Mayer-cluster expansion for moments of the local static density fluctuations is set
up. The simplest non-trivial contribution to this series leads back to mean-field theory. The central quantity of mean-field
theory is the distribution of localization lengths, which we compute for all connectivities. The highly crosslinked gel is
characterized by a one-to-one correspondence of connectivity and localization length. Taking into account higher contributions
in the Mayer-cluster expansion, systematic corrections to mean-field can be included. The sol-gel transition shifts to a higher
number of crosslinks per particle, as more compact structures are favored. The critical behavior of the model remains unchanged
as long as finite truncations of the cluster expansion are considered. To complete the picture, we also discuss various geometrical
properties of the crosslink network, e.g. connectivity correlations, and relate the studied crosslink ensemble to a wider class of ensembles, including the Deam-Edwards
distribution.
Received on 24 April 2002 Published online 14 October 2002
RID="a"
ID="a"deceased
RID="b"
ID="b"e-mail: weigt@theorie.physik.uni-goettingen.de 相似文献
20.
研究墙体对微波脉冲的衰减特性,测量了微波脉冲垂直入射墙体后的脉冲信号,经过计算得到普通砖混墙、普通钢筋混凝土墙、钢筋网混凝土墙对窄带微波和超宽带微波的衰减值;分析了微波脉冲穿越不同墙体的频谱变化。研究结果表明,普通钢筋混凝土墙和普通砖混墙对窄带微波脉冲的衰减为0.342~0.699 dB/cm,对超宽带信号的衰减为0.134~0.183 dB/cm。钢筋网混凝土墙(厚65 cm)对超宽带信号的衰减较大(29.07~45.79 dB),同时使穿透墙体的超宽带信号频率分布向高频位移。 相似文献