无法估算二元相互作用参数，怎么办? 估算二元相互作用参数，出现如下警告： * warning in physical property system the following conventional components were not in a data bank. check data bank names for spelling. cid data bank name dezhi c4h6f2o2 * warning in physical property system functional group generation for the unifac method cannot be completed for component dezhi. the following atoms were not matched: f 7 f 8 the functional groups generated group number no. of occur. group number no. of occur. 1505 1 1010 1 1005 1 * warning in physical property system functional group generation for the unif-lby method cannot be completed for component dezhi. the following atoms were not matched: f 7 f 8 the functional groups generated group number no. of occur. group number no. of occur. 1505 1 1010 1 1005 1 * warning in physical property system functional group generation for the unif-dmd method cannot be completed for component dezhi. the following atoms were not matched: f 7 f 8 the functional groups generated group number no. of occur. group number no. of occur. 1505 1 1010 1 1005 1 * warning in physical property system functional group generation for the unif-r4 method cannot be completed for component dezhi. the following atoms were not matched: f 7 f 8 the functional groups generated group number no. of occur. group number no. of occur. 1505 1 1010 1 1005 1 * warning in physical property system prop-name renon for component pair dmso and dfea cannot be estimated using the unifac method as specified because of missing input parameters: structur, gmufr , gmufq * warning in physical property system prop-name renon for component pair dmso and 142a cannot be estimated using the unifac method as specified because of missing input parameters: structur, gmufr , gmufq * warning in physical property system prop-name renon for component pair dmso and dezhi cannot be estimated using the unifac method as specified because of missing input parameters: structur, gmufr , gmufq * warning in physical property system prop-name renon for component pair dmf and dfea cannot be estimated using the unifac method as specified because of missing input parameters: structur, gmufr , gmufq * warning in physical property system prop-name renon for component pair dmf and 142a cannot be estimated using the unifac method as specified because of missing input parameters: structur, gmufr , gmufq * warning in physical property system prop-name renon for component pair dmf and dezhi cannot be estimated using the unifac method as specified because of missing input parameters: structur, gmufr , gmufq * warning in physical property system prop-name renon for component pair ch4o and dfea cannot be estimated using the unifac method as specified because of missing input parameters: structur, gmufr , gmufq * warning in physical property system prop-name renon for component pair ch4o and 142a cannot be estimated using the unifac method as specified because of missing input parameters: structur, gmufr , gmufq * warning in physical property system prop-name renon for component pair ch4o and dezhi cannot be estimated using the unifac method as specified because of missing input parameters: structur, gmufr , gmufq structure for component dfea has not been defined. pces cannot use group-contribution methods to estimate missing properties use the structures paragraph to define structures of this component. * warning in physical property system prop-name renon for component pair dfea and 142a cannot be estimated using the unifac method as specified because of missing input parameters: structur, gmufr , gmufq * warning in physical property system prop-name renon for component pair dfea and dezhi cannot be estimated using the unifac method as specified because of missing input parameters: structur, gmufr , gmufq structure for component 142a has not been defined. pces cannot use group-contribution methods to estimate missing properties use the structures paragraph to define structures of this component. * warning in physical property system prop-name renon for component pair 142a and dezhi cannot be estimated using the unifac method as specified because of missing input parameters: structur, gmufr , gmufq 怎么办 查看更多
第1天
关注盖德视界
添加小助手
