ASPEN估算二甲基砜的物性!? 最近需要计算一个 二甲基砜 的反应热,需要估算二甲基砜的物性。二甲基砜(C2H6O2S)在ASPEN数据库里是没有的,使用ASPEN的UNIFAC估算其物性时输入其分子式后计算结果总是出错,见下: ->Processing input specifications ... * 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 C2H6O2S C2H6O2S * WARNING IN PHYSICAL PROPERTY SYSTEM FUNCTIONAL GROUP GENERATION FOR THE UNIFAC METHOD CANNOT BE COMPLETED FOR COMPONENT C2H6O2S. THE FOLLOWING ATOMS WERE NOT MATCHED: S 1 O 2 O 5 THE FUNCTIONAL GROUPS GENERATED GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR. 1015 2 * WARNING IN PHYSICAL PROPERTY SYSTEM FUNCTIONAL GROUP GENERATION FOR THE UNIF-LBY METHOD CANNOT BE COMPLETED FOR COMPONENT C2H6O2S. THE FOLLOWING ATOMS WERE NOT MATCHED: S 1 O 2 O 5 THE FUNCTIONAL GROUPS GENERATED GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR. 1015 2 * WARNING IN PHYSICAL PROPERTY SYSTEM FUNCTIONAL GROUP GENERATION FOR THE UNIF-DMD METHOD CANNOT BE COMPLETED FOR COMPONENT C2H6O2S. THE FOLLOWING ATOMS WERE NOT MATCHED: S 1 O 2 O 5 THE FUNCTIONAL GROUPS GENERATED GROUP NUMBER NO. OF OCCUR. GROUP NUMBER NO. OF OCCUR. 1015 2 * WARNING IN PHYSICAL PROPERTY SYSTEM FUNCTIONAL GROUP GENERATION FOR THE UNIF-R4 METHOD CANNOT BE COMPLETED FOR COMPONENT C2H6O2S. THE FOLLOWING ATOMS WERE NOT MATCHED: S 1 O 2 O 5 似乎是使用UNIFAC计算不了二甲基砜的物性,原子不匹配?是哪里出了问题?请高手指点!查看更多0个回答 . 1人已关注