![基于原子参数快速预报层状双金属氢氧化物层间距的方法](/CN/2016/1/96/images/201610482390.jpg)
基本信息:
- 专利标题: 基于原子参数快速预报层状双金属氢氧化物层间距的方法
- 专利标题(英):Method for quickly forecasting interlayer spacing of layered double hydroxides based on atomic parameters
- 申请号:CN201610482390.X 申请日:2016-06-28
- 公开(公告)号:CN106202625A 公开(公告)日:2016-12-07
- 发明人: 刘太昂 , 陆文聪 , 张庆 , 卢凯亮 , 胡彪 , 肖林辉 , 徐潇
- 申请人: 上海大学
- 申请人地址: 上海市宝山区上大路99号
- 专利权人: 上海大学
- 当前专利权人: 上海大学
- 当前专利权人地址: 上海市宝山区上大路99号
- 代理机构: 上海上大专利事务所
- 代理人: 陆聪明
- 主分类号: G06F17/50
- IPC分类号: G06F17/50 ; G06N3/04 ; G06N3/08
The invention relates to a method for quickly forecasting an interlayer spacing of layered double hydroxides based on atomic parameters. The method comprises the following steps of 1) collecting a plurality of known layered double hydroxides and the interlayer spacing of the layered double hydroxides; 2) collecting the atomic parameters of metal atoms in the layered double hydroxides in combination with a periodic table of elements; 3) taking the metal atomic parameters as independent variables, taking the interlayer spacing as a dependent variable, and building a quick forecast model for the interlayer spacing of the layered double hydroxides by adopting an artificial neural network algorithm; and 4) quickly forecasting the interlayer spacing of the layered double hydroxides according to the built quick forecast model for the interlayer spacing of the layered double hydroxides and atomic parameter data of to-be-detected new layered double hydroxides. The method has the advantages that the forecast is simple, convenient and quick, the cost is low, a sample is not destroyed, the environment is not polluted and the like.