X-ray structure analysis system for fibrous polymers using imaging plate and GUI

使用成像板和 GUI 的纤维聚合物 X 射线结构分析系统

基本信息

批准号：
10555329
负责人：
OKUYAMA Kenji
金额：
$ 2.88万
依托单位：
Tokyo University of Agriculture and Technology
依托单位国家：
日本
项目类别：
Grant-in-Aid for Scientific Research (B)
财政年份：
1998
资助国家：
日本
起止时间：
1998 至 2001
项目状态：
已结题

来源：
https://kaken.nii.ac.jp/en/grant/KAKENHI-PROJECT-10555329/
关键词：
fibrous polymer crystalline polymer graphic user interface fiber diffraction x-ray diffraction LALS crystal structure analysis imaging plate 強度測定システムファイバーデイフラクション纎維状高分子纎維回折 X線回析組織回析 X線強度測定システム

项目摘要

The aim of this research project is to improve X-ray structure analysis system for fibrous polymers which we are using in our laboratory and to circulate this system globally for the benefit of related researchers. We changed our initial plan because of the high performance personal computer being available on the market with reasonable price during four years of this research term. In our final plan, we divided the system into two parts, data processing part and structure analysis part. For the former part we use a Work Station and for the latter we use several MS-Windows PCs having a minimum of Pentium. In this project we mainly improved structure analysis part and following results were obtained.(1) WinLALS program was reconstructed from the latest version of LALS (Linked-Atom Least-Squares) program and coded with Fortran 90 to run on MS-Windows PC.(2) PreLALS was designed to help WinLALS users to prepare input data with easy-to-use graphical user interface, to view molecular and crystal structure at various stages of structure analysis, and to execute WinLALS.(3) Four computational results of WinLALS program for the compounds of chitosan, triacetylcurdlan, polyimide and poly(ethylenesuccinate) were completely coincident with those obtained by the recent version of LALS. There are many merits of using PCs, such as computational time, easy to use and cost efficiency without burden.

该研究项目的目的是改善我们在实验室中使用的纤维聚合物的X射线结构分析系统，并在全球范围内循环该系统以造福相关研究人员。我们更改了我们的初始计划，因为在本研究期限的四年中，市场上有合理的价格在市场上提供了高性能的个人计算机。在最终计划中，我们将系统分为两个部分，数据处理部分和结构分析部分。对于前一部分，我们使用一个工作站，对于后者，我们使用了几台MS-Windows PC，其中最少有pentium。 In this project we mainly improved structure analysis part and following results were obtained.(1) WinLALS program was reconstructed from the latest version of LALS (Linked-Atom Least-Squares) program and coded with Fortran 90 to run on MS-Windows PC.(2) PreLALS was designed to help WinLALS users to prepare input data with easy-to-use graphical user interface, to view molecular and crystal structure at various stages of structure analysis, and to （3）Winlals程序的四个计算结果，用于壳聚糖，TriacetylCurdlan，Polyimide和Poly（乙烯二酰基乙酸乙酯）的化合物，与最近版本的LALS获得的化合物完全吻合。使用PC有很多优点，例如计算时间，易于使用和成本效率，而没有负担。