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鹽酸等四種液體;窊]發(fā)過(guò)程中團(tuán)簇結(jié)構(gòu)的研究

發(fā)布時(shí)間:2018-03-03 11:36

  本文選題:液體; 切入點(diǎn):揮發(fā) 出處:《天津科技大學(xué)》2013年碩士論文 論文類(lèi)型:學(xué)位論文


【摘要】:液體危險(xiǎn)化學(xué)品,簡(jiǎn)稱(chēng)液體;,是易揮發(fā)、蒸氣劇毒或有強(qiáng)腐蝕性或有強(qiáng)刺激性的液體,在運(yùn)輸、生產(chǎn)、儲(chǔ)存、使用過(guò)程中經(jīng)常發(fā)生泄漏事故,泄露同時(shí)伴生大量有毒氣體。目前,針對(duì)液體危化品泄漏事故,如何在第一時(shí)間內(nèi)有效控制有毒氣體的生成與傳輸,是應(yīng)急救援措施亟待解決的關(guān)鍵技術(shù)難題。然而,目前國(guó)內(nèi)外有關(guān)液體危化品有毒氣體生成與傳輸?shù)臋C(jī)理研究鮮少報(bào)道。本文通過(guò)研究鹽酸等四種液體危化品在不同溫度下的自然揮發(fā)過(guò)程,計(jì)算液體;返膫髻|(zhì)系數(shù)及傳質(zhì)速率,運(yùn)用Gaussian03計(jì)算液體危化品揮發(fā)過(guò)程中團(tuán)簇結(jié)構(gòu)的變化,從能量障礙角度系統(tǒng)研究有毒氣體生成與傳輸?shù)臋C(jī)理。本文以常見(jiàn)的4種液體危化品:氨水、鹽酸、甲醛、硝酸為研究對(duì)象。以溫度為液體;窊]發(fā)的主要影響因素,在20℃~45℃進(jìn)行了400min自然揮發(fā)實(shí)驗(yàn),通過(guò)測(cè)定溶液濃度隨時(shí)間的變化規(guī)律、計(jì)算傳質(zhì)系數(shù)及傳質(zhì)速率,研究4種液體;返膿]發(fā)過(guò)程。實(shí)驗(yàn)結(jié)果表明,液體危化品的揮發(fā)隨著溫度的增加而加強(qiáng),但揮發(fā)速率在溫度方面都存在明顯的區(qū)域性,即在相應(yīng)的區(qū)域內(nèi)揮發(fā)程度相似。并且,4種液體危化品中,氨水的揮發(fā)速度最快,鹽酸與甲醛的揮發(fā)次之,硝酸的揮發(fā)最難進(jìn)行,35℃時(shí)氨水的傳質(zhì)系數(shù)為1.97×10-4 m/min;鹽酸為0.934×10-5 m/min;甲醛為0.880×10-5 m/min;硝酸為0.803 ×10-6m/min。本文通過(guò)團(tuán)簇結(jié)構(gòu)的能量計(jì)算出團(tuán)簇結(jié)構(gòu)變化過(guò)程中所需的能量。得出結(jié)論:氨水揮發(fā)過(guò)程中各階段所需要的能量分別為11.09kJ/mol、13.76kJ/mol、18.67kJ/mol,氨水揮發(fā)為逐漸變慢的過(guò)程;鹽酸揮發(fā)過(guò)程中各階段所需要的能量分別為21.81kJ/mol、51.39kJ/mol、18.42kJ/mol,鹽酸的揮發(fā)過(guò)程為逐漸變慢然后變快的過(guò)程;甲醛揮發(fā)過(guò)程中各階段所需要的能量分別為22.55kJ/mol、18.98kJ/mol,甲醛的揮發(fā)過(guò)程為逐漸變快的過(guò)程;硝酸揮發(fā)過(guò)程中各階段所需要的能量分別為63.17kJ·mol-1、 107.9kJ·mol-1,硝酸的揮發(fā)過(guò)程為逐漸變慢的過(guò)程。
[Abstract]:Liquid hazardous chemicals, referred to as liquid hazardous chemicals, are volatile, highly toxic, or highly corrosive or irritating liquids, often leaking in the course of transportation, production, storage and use. At present, how to effectively control the generation and transmission of toxic gases in the first time is a key technical problem to be solved in emergency rescue measures. There are few reports at home and abroad on the mechanism of formation and transport of toxic gases of liquid dangerous chemicals. In this paper, the natural volatilization processes of four kinds of liquid dangerous chemicals such as hydrochloric acid at different temperatures are studied. The mass transfer coefficient and mass transfer rate of liquid dangerous chemicals were calculated, and the change of cluster structure during the volatilization of liquid dangerous chemicals was calculated by Gaussian03. The mechanism of the formation and transport of toxic gases is systematically studied from the point of view of energy barrier. In this paper, four kinds of liquid dangerous chemicals: ammonia, hydrochloric acid, formaldehyde, nitric acid are taken as the research objects, and temperature is taken as the main influencing factor of volatilization of liquid dangerous chemicals. A 400min natural volatilization experiment was carried out at 20 鈩,

本文編號(hào):1560884

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