“復(fù)雜化工過(guò)程物質(zhì)轉(zhuǎn)化機(jī)理與能效分析”立項(xiàng)報(bào)告

周興貴　袁希剛　李平　許志美　袁渭康

摘 要：我國(guó)化學(xué)工業(yè)整體水平距離世界先進(jìn)水平仍有較大差距，缺乏核心競(jìng)爭(zhēng)力；同時(shí)面臨著節(jié)能、減排和降耗等迫切要求。隨著介觀和微觀物理化學(xué)現(xiàn)象測(cè)量與表征技術(shù)的進(jìn)步，以及計(jì)算機(jī)和計(jì)算方法的飛速發(fā)展，開始具備條件認(rèn)識(shí)和描述物質(zhì)轉(zhuǎn)化過(guò)程中涉及的復(fù)雜物理化學(xué)過(guò)程。近年來(lái)化學(xué)工程的研究工作已從宏觀現(xiàn)象描述和實(shí)驗(yàn)數(shù)據(jù)關(guān)聯(lián)逐步轉(zhuǎn)向?qū)ξ镔|(zhì)轉(zhuǎn)化過(guò)程的本質(zhì)的認(rèn)識(shí)。該項(xiàng)目將以乙烯工業(yè)中的主要生產(chǎn)單元為主要研究對(duì)象，研究主要反應(yīng)的反應(yīng)機(jī)理和動(dòng)力學(xué)；流場(chǎng)結(jié)構(gòu)形成機(jī)制與調(diào)控和反應(yīng)/傳遞過(guò)程協(xié)同機(jī)制及能效分析。通過(guò)研究分析過(guò)程與設(shè)備行為特征，確定和優(yōu)化對(duì)過(guò)程能效有決定性影響的特征結(jié)構(gòu)。形成基于微觀反應(yīng)動(dòng)力學(xué)建立宏觀反應(yīng)動(dòng)力學(xué)模型的方法、利用反應(yīng)-擴(kuò)散模擬預(yù)測(cè)顆粒動(dòng)力學(xué)的方法以及反應(yīng)動(dòng)力學(xué)與流場(chǎng)結(jié)構(gòu)有機(jī)結(jié)合的過(guò)程模型化方法，建立物質(zhì)轉(zhuǎn)化機(jī)理與過(guò)程效率的聯(lián)系，用以實(shí)現(xiàn)過(guò)程行為的預(yù)測(cè)和優(yōu)化。提出基于反應(yīng)器內(nèi)構(gòu)件結(jié)構(gòu)優(yōu)化的流體流動(dòng)和相間接觸結(jié)構(gòu)化及過(guò)程強(qiáng)化方法，包括特定結(jié)構(gòu)內(nèi)構(gòu)件的構(gòu)建、內(nèi)構(gòu)件及其組合與操作方式的匹配、特定內(nèi)構(gòu)件與其相應(yīng)的操作參數(shù)協(xié)調(diào)等，以對(duì)反應(yīng)器的多尺度流場(chǎng)結(jié)構(gòu)進(jìn)行多方面、多層次協(xié)同控制，到達(dá)反應(yīng)/傳遞協(xié)同增效的目標(biāo)。形成通過(guò)塔間或塔內(nèi)透熱的乙烯精餾分離系統(tǒng)能量集成關(guān)鍵技術(shù)，從根本上提高精餾過(guò)程熱力學(xué)效率，實(shí)現(xiàn)乙烯分離流程的單元設(shè)備節(jié)能10%以上。

關(guān)鍵詞：復(fù)雜化工過(guò)程 物質(zhì)轉(zhuǎn)化機(jī)理 能效分析 反應(yīng)動(dòng)力學(xué) 反應(yīng)/傳遞耦合 傳遞/傳遞耦合 乙烯工業(yè)

Abstract：The state of art of chemical industries as a whole in our country is far behind the advanced level in the world， as testified by the lack of the core competitiveness. The techniques for energies saving， wastes reduction and consumption lowering are highly desired. With the development of the measurement and characterization techniques and the advance of computer hardware and software， the researchers now have the capability of cognition and description of the complicated chemical process. The researches in chemical engineering field have been transferred from correlation of macroscopic phenomena to description of the intrinsic mass transformation mechanism. Targeted to the important process units in ethylene industry， the reaction mechanisms and kinetics of some main reactions， the formation mechanism and its adjustment of the fluid field and the synergic effects and energy efficiencies of the coupled reaction/transportation process are to be studies in this project to analyze the characteristics of process and equipment behaviors and determine the key structure properties for the process energy efficiencies. The methods of modeling macro-kinetics based on microkinetic analysis， prediction of apparent kinetics on catalyst particles by multi-scale reaction-diffusion modeling and process simulation by combined kinetics and computational fluid dynamics are to be developed， by which the relationship between mass transformation mechanism and energy efficiencies is to be built for prediction and optimization the process performances. A practical way based on novel inserts designs and their matching with operation conditions is brought out to achieve the synergic manipulation of multi-scale fluid field to improve the process energy efficiencies. The novel ethylene purification process by adopting intermediate heat-integrated sequence of distillation columns is proposed. This process would fundamentally improve the energy efficiencies of distillation columns and save energy consumption of ethylene purification process above 10%.

Key Words：Complicated chemical processes；Mass transformation mechanism；Reaction kinetics；Coupled reaction/transportation； Coupled transportation/ transportation；Ethylene industry

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