A theoritical study of the alternative structure of copolymer ligands of catalyst for carbonylation of methanol to acetic acid has been carried out in terms of the ASED-MO method and Monte Carlo method.
本文采用以ASED-MO(含原子对排斥的EHMO法)为基础的结构自动优化的EHTOPT法及Monte-Carlo法,对甲醇羰基化制乙酸催化剂的共聚物配体交替结构进行了理论研究。
Theoritical study on the alternative structure of copolymer ligands of catalyst for methanol carbonylation to acetic acid has been investigated by the ASED-MO method and Monte Carlo method.
采用以ＡＳＥＤ—ＭＯ（合原子对排斥的ＥＨＭＯ法）为基础的结构自动优化的ＥＨＴＯＰＴ法及Ｍｏｎｔｅ—Ｃａｒｌｏ法对甲醇羰基化制乙酸催化剂的共聚物配体交替结构进行了理论研究，计算了ＡＡ，ＡＢ，ＢＢ，ＢＡ二聚反应的反应途径，找出了过渡态，并确定了反应活化势垒，在假设两反应频率因子相同的前提下，求出竞聚率，采用Ｍｏｎｔｅ－Ｃａｒｌｏ法模拟共聚物结构，计算出共聚物配体中起催化活性的ＡＢ交替结构所占比率，比较不同共聚物配体中ＡＢ比率，并研究了改变温度及单体浓度对共聚物配体交替结构的影响。
Study of PLGA Based Magnetic Microspheres
磁性聚乳酸聚乙醇酸共聚物载体微球的实验研究
Thermo-responsive Chitosan-g-NIPAAm/VL Copolymer Transgene Vector;
温度敏感壳聚糖—接枝-NIPAAm/VL共聚物转基因载体
Nanocarriers Based on Star-block Copolypeptides
基于星形嵌段多肽共聚物的纳米药物载体研究
Homopolymerization and Copolymerization of 1-Butene with Supported Titanium Catalyst System and Properties of Polymer;
负载钛体系催化1-丁烯均聚和共聚及其聚合物性能研究
Buffering capacity of nonviral gene carrier poly(ethylene glycol)-block-polyethylenimine copolymer
非病毒基因载体聚乙二醇-聚乙烯亚胺共聚物缓冲容量的研究
Research on Thermosensitive Graft Copolymeric System for Drug Delivery;
温敏性接枝共聚物胶束载药体系的研究
Research on Thermosensitive and pH Sensitive Copolymeric System for Drug Delivery;
温度及pH双敏感性共聚物胶束载药体系的研究
Agarose-Hyaluronan Copolymer for Carrier of Insulin
琼脂糖-透明质酸共聚物作为胰岛素载体
Syntheses of Block Copolymers of Polyphosphoester for Drug Delivery
聚磷酸酯嵌段共聚物的合成及其作为药物载体的研究
Synthesis and Characterization of Amphiphilic Graft Copolymers as Gene/Drug Co-delivery Carries
基因/药物共传输载体—两亲性接枝共聚物的合成与表征
Galactosylated Poly(Vinyldiaminotriazine) Copolymer-Based Vector for Gene Transfection;
基于半乳糖修饰的聚乙烯二氨基三嗪共聚物转基因载体
Micellization Behavior of Pluronic Block Copolymers in Aqueous Solution and Its Applicaton on Drug Carrier;
Pluronic两亲嵌段共聚物的胶束化行为及其作为药物载体的初步应用
Characterization and Degradation Behaviors of Nanoparticles of Amphiphilic PEG-PCL Copolymers as Durg Carriers;
PEG-PCL共聚物纳米粒降解行为及其用作药物载体的研究
Research on Nano-micelles Used as Drug Carriers Based on NIPAM Thermosensitive Amphiphilic Triblock Copolymers
基于NIPAM温敏性两亲型三嵌段共聚物纳米胶束作为药物载体的研究
Vinyldiaminotriazine/N-isopropylacrylamide Copolymer-Based Vectors for Gene Delivery;
乙烯二氨基三嗪/N-异丙基丙烯酰胺共聚物转基因载体
Agarose Grafting Hyaluronan Copolymer as Peptide Carrier
琼脂糖接枝透明质酸共聚物作为多肽载体的研究
Structure and Properties of HEMA and HEA Copolymer as Carrier for Microorganism Immobilization Synthesized by Irradiation Method
HEMA与HEA辐射共聚制备固定化微生物载体的结构与性能
Poly-aspartamide-glutamic acid grafted low molecular weight polye-thylenimine as a novel non-viral gene vector
聚-羟丙基-天冬氨酸-谷氨酸-聚乙烯亚胺共聚物作为非病毒载体的研究