Ammonia serves as a critical industrial feedstock and a potential carbon-free energy carrier. However, its conventional synthesis method (the Haber-Bosch process) suffers from high energy consumption and substantial carbon emissions. The electrochemical nitrate reduction reaction (eNO(3)RR) has emerged as a promising alternative pathway, capable of converting nitrate pollutants in water into high-value ammonia under mild conditions, enabling green synthesis while offering dual benefits of environmental remediation and energy conversion. Single-atom catalysts (SACs), with their maximal atom utilization efficiency, well-defined active sites, and highly tunable electronic structures, have demonstrated exceptional catalytic performance and selectivity in eNO(3)RR. This review systematically summarizes recent advances of SACs in eNO(3)RR, with a focus on reaction mechanisms, advanced in situ characterization techniques, theoretical calculation, and the catalytic behavior and structure-activity relationships of various non-noble metal centers (e.g., Cu, Fe, Co). Key strategies for enhancing SACs performance are elaborated, alongside an analysis of microenvironmental influences such as electrolyte composition, pH, and potential. Finally, we outlines current challenges in material design, dynamic active site identification, and the industrial application of SACs, and propose future research directions aimed at facilitating the practical implementation of eNO(3)RR technology and contributing to the establishment of a sustainable ammonia economy.

Acrylic polyester resin is an important synthetic resin. It has become an indispensable material in many fields due to its excellent mechanical strength, outstanding corrosion resistance, and ability to withstand extreme temperatures. However, as the market demand for acrylic polyester resin continues to grow, some technical challenges encountered during the production process have gradually emerged. Due to the changes in temperature and viscosity of the polymerization reaction, as well as the limitations of the parameters of the reaction conditions, the production process of acrylic polyester resins leads to insufficient yield to meet the market demand. This paper comprehensively introduces the synthesis method of acrylic polyester resin and systematically analyzes the key steps in the synthesis of acrylic polyester resin. This paper provides new insights and a practical basis for improving the production process, which is of great significance to meet the growing industrial demand and promote the sustainable development of this field.

The escalating problem of nitrate pollution, coupled with the environmental burden of the Haber-Bosch process, has spurred intense interest in the electrocatalytic nitrate reduction reaction (eNO3RR) as a sustainable route for simultaneous wastewater treatment and ammonia production. However, the efficiency and selectivity of eNO3RR are hampered by the multi-step proton-coupled electron transfer process and the competing hydrogen evolution reaction. This review provides a comprehensive and critical overview of recent advances in understanding and designing catalysts for eNO3RR. We begin by elucidating the fundamental mechanisms and key reaction pathways, followed by a discussion on how critical parameters (e.g., electrolyte microenvironment, applied potential, reactor design) dictate performance. Further discussion of recent advances in catalysts, including single-metal catalysts, alloy catalysts, transition metal compounds, single-atom catalysts, carbon-based non-metal catalysts, and composite catalysts, highlights their significant roles in enhancing both the efficiency and selectivity. A distinctive feature of this review is its consistent critical assessment of catalysts through the dual lenses of practicality and sustainable development. Finally, we outline prevailing challenges and propose future research directions aimed at developing scalable and commercially viable electrocatalytic systems for green nitrogen management.

To reduce the environmental pollution caused by pathogens and radioactive substances carried by medical waste, and alleviate the shortage of non-renewable energy, this work proposes a novel overall process for hydrogen production from medical waste by plasma gasification coupled with ionic liquid-based CO2 capture. The validity of the model is verified by the experimental data. Based on the simulation results, the effects of medical waste types, different gasification agents and carbon conversion rate on the syngas compositions, H2/CO ratio, carbon conversion rate, higher heating value and exergy efficiency are explored. The results show that the rate of hydrogen production from surgical masks is more than twice that of the other two types of medical waste. Steam is the best gasification agent. At this time, the higher heating value of syngas is 26.72 MJ/kg and the exergy efficiency is 78.25%. A comprehensive analysis of the thermodynamic efficiency and technical economy of the overall process shows that the total exergy efficiency is 70.84%. The production cost is 2115.74 USD and the raw material consumption is 2.61 t/t H2. This study can provide a promising theoretical guidance for the resource treatment of medical waste. © 2023 The Institution of Chemical Engineers

This wok proposed the extraction distillation coupled pervaporation (ED+PV) technology process using two different solvents to separate isopropanol (IPA) and diisopropylether (DIPE) from DIPE/IPA/H2O tern-ary heterogeneous azeotropes in industrial wastewater from the synthesis of isopropanol in this study. Based on strict design specifications, simulation and sequential iteration methods are used for process design and optimization. Compared to the ethylene glycol (EG)-EG+H2O process and the 1,3-propanediol (PDO)-IPA+H2O process, the total annual cost (TAC) of the EG-IPA+H2O process decreased by 20.76% and 7.86% (PDO). Compared to the EG-EG+H2O process, the TAC of the PDO-IPA+H2O process reduced 14%, but the global warming potential (GWP) and human toxicity of the PDO-IPA+H2O process increased 11.3% and 4.07% respectively. Compared to the PDO-IPA+H2O process, the EG-IPA+H2O process saves 7.86% (TAC), 9.78% (GWP) and 9.85% (human toxicity). The ED+PV process with EG is superior to PDO in factors of TAC, energy consumption, human toxicity and environment. The EG-IPA+H2O process changed the separation order of the products of the multi-azeotropic system, reduced the cost and energy conservation of the system, and enhanced the environmental protection evaluation of the process, is the best process through life cycle assessment for analyzing the economy, energy conservation, environmen-tal assessment and human toxicity, designing cleaner products, controlling waste discharge, and promot-ing the chemical purification industry. This work provides a new process design and optimized separation ideas, will have a good guiding significance for the research and application separation of multi-azeotropic mixture with mixed solvents in organic wastewater from the cleaner chemical produc-tion, has been up to standard wastewater discharge process, and realized the development goal of carbon peak and carbon neutrality in the sustainable development of chemical clean industry. (c) 2022 The Chemical Industry and Engineering Society of China, and Chemical Industry Press Co., Ltd. All rights reserved.

苯基乙基丙二酸二乙酯是一种中枢神经药物的有机中间体,用于生产苯巴比妥、扑痫酮等神经性药物。现有合成工艺采用20%乙醇钠作为催化剂,苯乙酸乙酯、碳酸二乙酯与溴乙烷为原料,经克莱森酯缩合反应与乙基化反应合成产品。该工艺存在间歇操作、生产周期长等问题制约反应效率。因此,开发苯基乙基丙二酸二乙酯高效合成工艺,提升工艺生产效率具有重要意义。采用反应精馏技术对克莱森酯缩合反应进行改进,通过实验确定了克莱森酯缩合反应时间、原料配比以及乙基化反应时间等对于产品收率的影响。优化后的克莱森酯缩合反应时间为2 h,苯乙酸乙酯与碳酸二乙酯配比为1:4,乙基化反应时间为3 h。基于COSMO-SAC模型计算了反应体系各物质间的无限活度稀释系数并对数据进行回归,得到体系间的交互作用参数。对年产1400 t苯基乙基丙二酸二乙酯合成工艺进行模拟,基于序贯迭代优化序列优化工艺参数。利用能量、经济、环境与（火用）分析方法,评估工艺的可行性。结果表明:该工艺的运行成本为1.597×10~7$/y,设备成本为4.596×10~5$/y;产品市场价格不低于2.1×10~4$/t时,工艺具备工业应用潜力;反应精馏单元的高能耗造成的全球变暖潜能（GWP）和酸性气体潜能（AP）分别占工艺总排放的58.9%与50.28%;分离纯化单元的（火用）损失最高,占整个生产工艺（火用）损失的48.1%。设计了双塔变压间歇精馏与多储罐双塔变压间歇精馏工艺对回收的溴乙烷-乙醇共沸物与碳酸二乙酯-溴乙烷-乙醇三元单共沸混合物进行分离。基于带精英策略的非支配排序遗传算法（NSGA-Ⅱ）,分别以两种分离工艺的设备费用与二氧化碳排放作为目标函数,高压塔操作压力作为决策变量,对工艺参数进行多目标优化。双塔变压间歇精馏分离溴乙烷-乙醇工艺的高压塔操作压力为7 atm,工艺的设备成本为2.142×10~5$/y,二氧化碳排放为1.146×10~6 kg/h,TAC为1.942×10~5$/y;多储罐双塔变压间歇精馏工艺的高压塔操作压力为7 atm,工艺的设备成本为2.635×10~5$/y,二氧化碳排放为3.990×10~5 kg/h,TAC为1.294×10~5$/y。

离子液体（ILs）作为一种新型溶剂,具有挥发性低和结构可调等优点,近年来广泛应用于绿色合成、气体吸收和分离等领域。由于离子液体的阴-阳离子以及低共熔溶剂（DESs）的氢键供体-受体组合繁冗,导致其在气体吸收与萃取分离过程中的效果差异较大,通过分子动力学模拟（MD）与实验、流程模拟、生命周期评价等多种研究手段多尺度结合对碳捕集与低碳醇分离过程中的扩散性质及聚集行为展开研究具有重要意义。采用量子化学和分子动力学模拟方法考察CO2和H2S等酸性气体在咪唑基ILs中的结构和动力学特性,并对乙醇胺基DES氢键供受体及两者摩尔比的组合设计。模拟ILs密度与实验密度的偏差小于5%,验证了力场参数及分析结果的准确性。计算动力学平衡后的不同分子间总非键相互作用力、径向分布函数与空间分布函数,相互作用能结果表明,Ch Cl:MEA（1:6）与CO2间总非键相互作用力为-3674.88 k J·mol-1,高于Ch Cl:MEA（1:7）、Ch Cl:MEA（1:8）,且MEA与CO2间总非键相互作用力占DES总体的76.87%,与工业中常用吸收剂10%MEA相比提升约4.2倍。动力学分析结果表明,Ch Cl:MEA（1:6）中两种不同的MEA分子通过NH2/NH2、NH2/OH和OH/OH基团间的氢键直接相互作用,CO2分布MEA周围无Ch Cl的空隙中,Ch Cl:MEA（1:6）在吸收前后结构几乎没有改变。综合考虑温度、粘度及溶剂成本,建议工业中使用10%的Ch Cl:MEA（1:6）。扩散系数顺序为:MDEA＜[BMIM][PF6]＜[BMIM][BF4]＜[HMIM][TF2N]＜[BMIM][TF2N]＜[EMIM][TF2N]。综合考虑离子液体粘度、热容、毒性,由于[EMIM]+在低温下容易结晶,增加温度控制的成本,选择[BMIM][TF2N]作为吸收剂。采用生命周期评价方法评估咪唑型ILs脱除酸性气体新工艺实际减少的碳排放和增加的能源消耗。对三种离子液体碳脱除与存储流程溶剂生产和使用阶段的生命周期环境分析对比表明,基础原料的制备过程中废弃化合物排放占全生命周期的90%,改进后工艺对环境的影响仅为基础工艺的33-36%,余热回收的碳捕集与存储工艺生命周期CO2排放量仅为2.03 kg CO2 eq/t。使用CML2000方法对CCS-IL过程的GWP、ADP、ODP、HTP、AP、EP、POCP、FAETP、TETP九个类别环境影响进行分析,除ADP外,其他环境影响指标均是Li NTf2占主要部分,生产阴离子前体的输入能量是阳离子前体的15倍,生产阴离子是造成环境负担的主要原因。采用相平衡计算、分子动力学模拟、流程模拟结合的方法实现咪唑型ILs绿色高效分离低碳醇共沸物。温度、压力、阴阳离子类型等预测变量对CO2溶解度影响趋势与实验报道相吻合,温度从25℃升高到60℃,萃取效率显著降低,室温效率高有利于工艺的节能降耗,且IL的萃取能力不受初始低碳醇浓度的影响,使IL可以应用于更广泛的低碳醇分离。以[BMIM][HSO4]作为萃取剂分离低碳醇工艺最低年总成本相比传统工艺低17.31%,GWP和EP分别降低了86.1%和85.0%,具有良好的可持续发展优势。

现代工业发展迅速,开发新能源、提高废弃物资源化利用率有利于经济社会的绿色、低碳发展。目前甲醇汽油、乙醇汽油等生物燃油由于其热值高、污染小等优势逐渐成为研究的热点,但其生产与加工过程中会产生很多含低碳醇二元共沸物。在工业上通常使用萃取精馏等特殊分离方法分离共沸物。作为一类新型离子液体,低共熔溶剂（DESs）由于其蒸汽压低、热稳定性好、制备简单、环境友好性强和可设计性等优点近年来被广泛应用于共沸物分离等领域。本文研究了以氯化胆碱:乙二醇（1:2）和氯化胆碱:甘油（1:2）两种DESs为萃取剂分离异丙醇-水共沸物的萃取精馏过程。首先从量子化学角度,使用COSMOSAC模型,通过分析多种萃取剂与异丙醇之间形成氢键的强度阐释了DESs能够高效分离异丙醇-水共沸物的微观机理,结果表明,DESs与异丙醇之间的氢键强度远高于乙二醇。从经济性能、热力学效率、环境影响对使用乙二醇为萃取剂的传统工艺和使用DESs为萃取剂的新工艺进行了对比。结果表明,以氯化胆碱:乙二醇（1:2）为萃取剂的工艺萃取剂用量、高压蒸汽和冷凝水用量分别降低66.67%、32.50%和35.48%,总设备成本降低27.31%,年度总成本（TAC）降低了30.92%,热力学效率提高40.34%,温室气体和酸性气体的排放量降低30%以上。将萃取精馏塔塔顶热量绝热压缩后作为再沸器的一部分热源,TAC进一步降低了7.69%。以氯化胆碱为氢键受体,乙二醇、甘油、尿素为氢键供体,制备了氯化胆碱:乙二醇（1:2）、氯化胆碱:甘油（1:2）、氯化胆碱:尿素（1:2）三种胆碱类DESs,通过核磁共振氢谱对DESs所含氢原子的类型及数量进行了验证。以三种DESs为萃取剂在298.15 K、1 atm的条件下测量了正己烷-甲醇-DESs和正己烷-异丙醇-DESs三元体系的液液相平衡数据并计算了甲醇和异丙醇在DESs中的分配系数及DESs对它们的选择性。结果表明,甲醇在三种DESs中的分配系数均为异丙醇的10倍以上,且DESs对甲醇的选择性比异丙醇高20倍以上。使用分子动力学模拟研究了DESs萃取甲醇和异丙醇液液相平衡过程中的萃取机理,计算了DESs与两种低碳醇之间的相互作用能、径向分布函数和空间分布函数等。结果表明DESs与甲醇之间的相互作用力远大于DESs与异丙醇之间的相互作用力,在三种DESs中,氯化胆碱:乙二醇（1:2）对低碳醇-正己烷共沸物的分离效果最佳,其中氯离子在萃取过程中发挥的作用最大。为了得到DESs从烷烃中提取低碳醇的一般规律,采用上述方法研究了DESs对甲醇-正庚烷和异丙醇-正庚烷两种共沸物的分离效果,并与之前的工作进行了对比。结果表明,DESs对甲醇-正庚烷共沸物的分离效果更好,且分离效果略优于甲醇-正己烷。从以上分析结果中可以总结出:DESs对低碳醇-正庚烷共沸物的分离效果优于低碳醇-正己烷共沸物。三种DESs中,氯化胆碱:乙二醇（1:2）对低碳醇-烷烃共沸物的分离效果最佳,低碳醇/烷烃与DESs之间相互作用力的强度随碳链的增长而减小,这对工业中含低碳醇二元共沸物的高效快速分离具有重要的借鉴意义。

本文针对丙二醇甲基醚和水二元非均相共沸物,借助Aspen Plus与Aspen Plus Dynamics软件研究了不同比例的萃取剂对分离性能的影响以及进料预热工艺和部分热集成工艺经济性、环境影响和热力学效率。同时,考察了混合萃取剂的液液萃取-共沸精馏工艺的动态控制性能并与单一萃取剂工艺的动态性能进行比较。基于溶剂选择性原则筛选了氯仿和2-乙基己酸为混合萃取剂。以最小年度总费用为目标,采用序贯迭代优化算法对氯仿和2-乙基己酸作为混合萃取剂的混合过程进行优化,得到了最佳溶剂比、过程的操作参数和TAC。与单一萃取剂氯仿和2-乙基己酸的工艺相比,混合溶剂（70 mol%氯仿和30 mol%2-乙基己酸）的TAC分别降低34.41%和26.7%。通过分析不同组成的混合溶剂与单一溶剂对精馏塔热负荷的影响,证明了混合溶剂带走大量的水,导致后续分离需要较小的热负荷进而降低工艺的TAC。基于最优比例萃取剂的过程,对其节能工艺进行了研究。结果表明,进料预热工艺的TAC降低了17.73%,二氧化碳排放减少12.32%,由于提升进料温度使得精馏塔内部的?损失得到降低,提高了过程的热力学效率;部分热集成工艺的TAC降低了22.55%,二氧化碳排放量减少16.40%,热力学效率提高到15.6%。基于70 mol%氯仿和30 mol%2-乙基己酸作为混合萃取剂的液液萃取-共沸精馏工艺,对其动态性能进行了探究。通过引入±20%进料流量和进料组成扰动对工艺进行分析,提出的组成与回流比串级控制结构对混合工艺具有非常好的抗扰动性能,实现了液液萃取-共沸精馏的有效控制。通过对比单萃取剂过程的动态性能,发现单萃取剂过程的动态性能要优于混合萃取剂的过程。为了进一步比较二者工艺的动态性能,将混合萃取剂过程的响应控制结构应用在单一萃取剂过程中,通过对比平方差积分（ISE）,发现混合萃取剂工艺的ISE大于单萃取剂工艺的ISE。通过对结果分析,表明了混合萃取剂工艺具有很大的节能优势,但是动态控制性能要逊于单萃取剂过程。

煤化工生产中的合成气净化系统直接影响整个煤气化过程及后续工序的稳定运行。低温甲醇洗技术是目前脱除合成气中酸性气体较为成熟的技术,其冷能消耗较大。本文针对该问题提出基于[BMIM][Tf2N]的德士古煤气化合成气的CO2捕集和脱硫工艺,基于多目标优化方法对工艺进行优化,结合余热制冷和余热发电技术改进工艺的能量利用效率,通过能量、?、经济和环境等方面对集成工艺进行分析和评价。本文提出了一种使用离子液体[BMIM][Tf2N]作为物理溶剂在常温下同时脱除合成气中H2S和CO2等酸性气体的工艺,该工艺对CO2和H2S的去除率分别达到97.6%和95.3%。与低温甲醇洗工艺相比,该工艺在CO2产品气中CO2的摩尔分数和CO2脱除率方面较优,同时离子液体的损耗率低,回收能耗低。因此,离子液体是一种很好的可以替代冷甲醇用于大规模捕集CO2和脱除H2S的溶剂。在基于[BMIM][Tf2N]的合成气净化基础工艺上添加了热集成、CO2压缩和运输过程对流程进行改进。对工艺的能源、经济和环境分析结果显示过程的经济性能与环境性能存在矛盾。为了平衡该矛盾,采用带精英策略的非支配排序遗传算法对过程进行多目标优化,计算得到的多目标优化方案的CO2逸出量和年总费用分别比其理想最小值高5.9%和1.5%。针对提出的CO2捕集与分离技术存在的电耗、冷能消耗高的问题,提出有机朗肯循环、吸收式制冷循环和合成气净化工艺集成的工艺。通过对该工艺在能源、?、经济和环境等方面的分析与计算发现,有机朗肯循环的热效率为0.148,吸收式制冷循环的性能系数为0.1058;余热利用系统的?效率为42.88%;集成工艺的运行成本比基础工艺降低81%;总等效CO2排放量为2.03 kg CO2-eq/t。因此,集成工艺的提出有利于煤化工行业CO2的捕集与分离以及利用低品位余热工艺的优化和改进。