Chemical structure model for the component of humic substances by the computer modeling.

本研究的目的是估计土壤胡敏酸组分的平均化学结构模型，该组分是通过使用疏水树脂DAX-8的吸附色谱进行分离的。本文<13>对灰低地土中胡敏酸的芳香族和脂肪族组分进行了元素分析、官能团分析、~ 1H-NMR和~ 1C-NMR分析。在~ 1C-BNR<13>分析中，CH、CH_2和CH_3的亚谱用DEPT法得到，季碳的亚谱用QUAT法得到。计算了各子谱中各种形态碳所占的比例。各种形式的氢的比例由1H-NMR光谱获得。芳香族组分的芳香碳和酚碳之和占总碳的55.6%，远远高于脂肪族组分的21%。在芳香族组分中，末端官能团（CH_3、CH_3O和COOH）的数目为 ...更多信息 脂肪族季碳、叔碳和O-C季碳的总量仅为3%。因此，芳香族组分具有带小烙印的结构。在脂肪族组分中，末端官能团的碳原子占总碳原子数的29%，脂肪族的季、叔碳原子占总碳原子数的22%左右。脂肪族组分的结构具有丰富的支化性。脂肪链的长度很长，中间的CH_2和CH_2O的总和占所有碳的28%以上。使结构单元的分子量为1500，从元素组成获得分子式，并以各种形式分配碳和氢数，从官能团分析计算官能团数，并从NMR光谱计算剩余部分的碳和氢数。提出了满足所有数据的化学结构模型。少

The purpose of this study is to estimate the averaged chemical structural model on the component of soil humic acid which was divided by the absorption chromatography using the hydrophobic resin DAX-8. Elemental and functional group analysis, ^1H-NMR, and ^<13>C-NMR, analysis were carried our on aromatic component and aliphatic component of the humic acid extracted from gray lowland soil (Entisol). In the ^<13>C-BNR analysis, CH, CH_2, and CH_3 subspectra were obtained by the DEPT method and the subspectrum of quaternary carbon was obtained by the QUAT method. The proportion of various form carbon was calculated in the every subspectrum. The proportion of the various form hydrogen was obtained from the -1H-NMR spectrum. The sum of aromatic carbon and phenol carbon of aromatic component is 55.6 % of all carbon, and it is very higher than that of the aliphatic component which is 21 % of total carbon. In the aromatic component, the number of end functional group (CH_3, CH_3O, and COOH) is … More little 11 % of all carbon, and the total of aliphatic quaternary and tertiary carbon and O-C quaternary carbon is very little 3 %. Therefore, the aromatic component has the structure with small branding. The carbon of end functional group is abounding 29 % of total carbon on the aliphatic component, and the total of aliphatic quaternary and tertiary carbon is many 22 % of all carbon. The branching is abounding for the structure of the aliphatic component . The length of the aliphatic chain is very long, as sum total of CH_2 and CH_2O in the middle of aliphatic chain is many 28 % of all carbon. The molecular weight of structural unit was made to be 1500, molecular formula was obtained from the elemental composition, and it was assigned in various form carbon and hydrogen number that it calculated the functional group number from the functional group analysis and calculated the number of carbon and hydrogen of the remainder from NMR spectra. Chemical structure model which satisfied all data was proposed. Less