共价键均裂在含能分子的热分解过程中普遍存在,因此极为重要.然而,以往的理论研究通常用键能(ΔH,BDE)估算均裂能垒,因忽略了熵效应,必然造成较大误差.采用对称破缺密度泛函方法(BS-UB3LYP/6-311+G**),对含能分子3-硝基-1,2,4-三唑-5-酮...共价键均裂在含能分子的热分解过程中普遍存在,因此极为重要.然而,以往的理论研究通常用键能(ΔH,BDE)估算均裂能垒,因忽略了熵效应,必然造成较大误差.采用对称破缺密度泛函方法(BS-UB3LYP/6-311+G**),对含能分子3-硝基-1,2,4-三唑-5-酮(NTO)的热分解机理进行了系统研究和梳理,计算了共价键均裂的过渡态及能垒.结果表明,C—NO_(2)键均裂和随后的自由基复合是最优途径,能垒为216.9 k J·mol^(-1)(523 K).随后产生的NO自由基通过多次“复合-均裂”过程促进三唑中间体开环,分解为HNCO,N_(2)O和CO等小分子,它们相互反应又生成NO_(2),N_(2)和CO_(2).这些分解产物与诸多实验观测结果一致.展开更多
Creating a sustainable energy and environment, alternative energy is needed to be developed instead of using fossil fuels. This research describe a comparison of the use of pyrolysis oils which are the tire pyrolysis ...Creating a sustainable energy and environment, alternative energy is needed to be developed instead of using fossil fuels. This research describe a comparison of the use of pyrolysis oils which are the tire pyrolysis oil, plastic pyrolysis oil and diesel oil in the assessment of engine performance, and feasibility analysis. Pyrolysis oils from waste tire and waste plastic are studied to apply with one cylinder multipurpose agriculture diesel engine. It is found that without engine modification, the tire pyrolysis offers better engine performance whereas the heating value of the plastic pyrolysis oil is higher. The plastic pyrolysis oil could improve performance by modifying engine. The economic analysis shows that the pyrolysis oil is able to replace diesel in terms of engine performance and energy output if the price of pyrolysis oil is not greater than 85% of diesel oil.展开更多
Kinetic knowledge is of great importance in achieving good control of the pyrolysis and gasification process and optimising system design. An overall kinetic pyrolysis scheme is therefore addressed here. The ki-net...Kinetic knowledge is of great importance in achieving good control of the pyrolysis and gasification process and optimising system design. An overall kinetic pyrolysis scheme is therefore addressed here. The ki-netic modelling incorporates the following basic steps: the degradation of the virgin biomass materials into pri-mary products ( tar, gas and semi-char), the decomposition of primary tar into secondary products and the continuous interaction between primary gas and char. The last step is disregarded completely by models in the literature. Analysis and comparison of predicted results from different kinetic schemes and experimental data on our fixed bed pyrolyser yielded very positive evidence to support our kinetic scheme.展开更多
The proper terminal disposal of organic solid waste such as domestic waste is a worldwide issue.Landfill covers a large area,with limited capacity,and a single landfill will be filled one day;incineration is costly to...The proper terminal disposal of organic solid waste such as domestic waste is a worldwide issue.Landfill covers a large area,with limited capacity,and a single landfill will be filled one day;incineration is costly to build and operate.These methods all need to transfer and centralized treatment,and secondary pollution is difficult to control,against the purification law of the nature."NIMBY effect"is very serious,and the social cost of treatment is increasing,becoming a heavy financial burden."The Distributed Waste Pyrolysis Cold Emission Energy Station"developed by Hunan Zhongzhou Energy-Saving Technology Co.,Ltd.overcomes these disadvantages and constructs a more appropriate environmental economic industrial chain for the treatment of organic solid waste such as urban and rural household waste.Based on its technical characteristics,this paper compares it with waste incineration power generation project in the aspects of secondary pollution control,treatment effect,energy utilization,investment and operation economy,etc.展开更多
文摘共价键均裂在含能分子的热分解过程中普遍存在,因此极为重要.然而,以往的理论研究通常用键能(ΔH,BDE)估算均裂能垒,因忽略了熵效应,必然造成较大误差.采用对称破缺密度泛函方法(BS-UB3LYP/6-311+G**),对含能分子3-硝基-1,2,4-三唑-5-酮(NTO)的热分解机理进行了系统研究和梳理,计算了共价键均裂的过渡态及能垒.结果表明,C—NO_(2)键均裂和随后的自由基复合是最优途径,能垒为216.9 k J·mol^(-1)(523 K).随后产生的NO自由基通过多次“复合-均裂”过程促进三唑中间体开环,分解为HNCO,N_(2)O和CO等小分子,它们相互反应又生成NO_(2),N_(2)和CO_(2).这些分解产物与诸多实验观测结果一致.
文摘Creating a sustainable energy and environment, alternative energy is needed to be developed instead of using fossil fuels. This research describe a comparison of the use of pyrolysis oils which are the tire pyrolysis oil, plastic pyrolysis oil and diesel oil in the assessment of engine performance, and feasibility analysis. Pyrolysis oils from waste tire and waste plastic are studied to apply with one cylinder multipurpose agriculture diesel engine. It is found that without engine modification, the tire pyrolysis offers better engine performance whereas the heating value of the plastic pyrolysis oil is higher. The plastic pyrolysis oil could improve performance by modifying engine. The economic analysis shows that the pyrolysis oil is able to replace diesel in terms of engine performance and energy output if the price of pyrolysis oil is not greater than 85% of diesel oil.
文摘Kinetic knowledge is of great importance in achieving good control of the pyrolysis and gasification process and optimising system design. An overall kinetic pyrolysis scheme is therefore addressed here. The ki-netic modelling incorporates the following basic steps: the degradation of the virgin biomass materials into pri-mary products ( tar, gas and semi-char), the decomposition of primary tar into secondary products and the continuous interaction between primary gas and char. The last step is disregarded completely by models in the literature. Analysis and comparison of predicted results from different kinetic schemes and experimental data on our fixed bed pyrolyser yielded very positive evidence to support our kinetic scheme.
文摘The proper terminal disposal of organic solid waste such as domestic waste is a worldwide issue.Landfill covers a large area,with limited capacity,and a single landfill will be filled one day;incineration is costly to build and operate.These methods all need to transfer and centralized treatment,and secondary pollution is difficult to control,against the purification law of the nature."NIMBY effect"is very serious,and the social cost of treatment is increasing,becoming a heavy financial burden."The Distributed Waste Pyrolysis Cold Emission Energy Station"developed by Hunan Zhongzhou Energy-Saving Technology Co.,Ltd.overcomes these disadvantages and constructs a more appropriate environmental economic industrial chain for the treatment of organic solid waste such as urban and rural household waste.Based on its technical characteristics,this paper compares it with waste incineration power generation project in the aspects of secondary pollution control,treatment effect,energy utilization,investment and operation economy,etc.
