Density functional theory (DFT) studies of vanadium-titanium based selective catalytic reduction (SCR) catalysts

Based on density functional theory (DFT) and basic structure models, the chemical reactions on the surface of vanadium-titanium based selective catalytic reduction (SCR) denitrification catalysts were summarized. Reasonable structural models (non-periodic and periodic structural models) are the basis of density functional calculations. A periodic structure model was more appropriate to represent the catalyst surface, and its theoretical calculation results were more comparable with the experimental results than a non-periodic model. It is generally believed that the SCR mechanism where NH₃ and NO react to produce N₂ and H₂O follows an Eley-Rideal type mechanism. NH₂NO was found to be an important intermediate in the SCR reaction, with multiple production routes. Simultaneously, the effects of H₂O, SO₂ and metal on SCR catalysts were also summarized.     

UV/H2O2 oxidation of tri(2-chloroethyl) phosphate: Intermediate products, degradation pathway and toxicity evaluation

Tri(2-chloroethyl) phosphate (TCEP) with the initial concentration of 5 mg/L was degraded by UV/H₂O₂ oxidation process. The removal rate of TCEP in the UV/H₂O₂ system was 89.1% with the production of Cl^? and PO₄^3? of 0.23 and 0.64 mg/L. The removal rate of total organic carbon of the reaction was 48.8% and the pH reached 3.3 after the reaction. The oxidative degradation process of TCEP in the UV/H₂O₂ system obeyed the first order kinetic reaction with the apparent rate constant of 0.0025 min^?1 (R²=0.9788). The intermediate products were isolated and identified by gas chromatography-mass spectrometer. The addition reaction of HO? and H₂O and the oxidation reaction with H₂O₂ were found during the degradation pathway of 5 mg/L TCEP in the UV/H₂O₂ system. For the first time, environment risk was estimated via the “ecological structure activity relationships” program and acute and chronic toxicity changes of intermediate products were pointed out. The luminescence inhibition rate of photobacterium was used to evaluate the acute toxicity of intermediate products. The results showed that the toxicity of the intermediate products increased with the increase of reaction time, which may be due to the production of chlorine compounds. Some measures should be introduced to the UV/H₂O₂ system to remove the highly toxic Cl-containing compounds, such as a nanofiltration or reverse osmosis unit.     

2019年10~12月京津冀及周边“2+26”城市重污染减排效果评估

为评估京津冀及周边区域重污染过程期间应急减排措施的效果,基于情景模拟的方法,采用NAQPMS模式和多种观测资料,分析了2019年10~12月期间京津冀及周边区域环境空气质量、重污染过程和气象条件概况,评估了模式24、72和144 h的PM_2.5预报效果,并对应急减排措施的效果和不确定性进行了讨论.结果表明,2019年10~12月京津冀及周边"2+26"城市PM_2.5平均浓度64 μg ·m^-3,同比降低了10 μg ·m^-3;区域性重污染过程4次,受影响城市重污染过程期间PM_2.5平均浓度156 μg ·m^-3."2+26"城市PM_2.5气象条件评估指数（EMI）变化值范围为-15.6%~16.8%,EMI显示北京、天津和石家庄等12个城市气象条件与同期相比变差,变差程度范围为3.2%~16.8%.减排情景模拟分析显示应急减排措施有效减少了区域性重污染过程的发生,污染物峰值浓度降幅明显,未出现区域性严重污染过程.典型重污染期间,北京、石家庄、保定和唐山等城市PM_2.5日均浓度削减2%~9%.区域应急减排措施促使"2+26"城市PM_2.5季度均值分别降低1~3 μg ·m^-3左右,区域性减排效果明显.     

德州市夏季臭氧敏感性特征及减排方案

近年来德州市臭氧污染频发,2018年夏季（6~8月）,德州市发生了严重臭氧污染事件,臭氧日最大8 h浓度值超标天数达60 d,超标率65%,3个月平均值为176 μg ·m^-3,最高达262 μg ·m^-3.本研究利用WRF-CAMx耦合的HDDM模块,分析期间德州臭氧敏感性特征及减排方案.结果表明,在空间上,德州市中心城区为VOCs控制区,而郊区为NO_x与VOCs协同控制区.在时间上,VOCs敏感值每日为正值,但dO₃_V₅₀在6月（城区18.7 μg ·m^-3,郊区19.7 μg ·m^-3）和8月（城区15.3 μg ·m^-3,郊区16.4 μg ·m^-3）高于7月（城区13.0 μg ·m^-3,郊区11.8 μg ·m^-3）,NO_x敏感值城区呈正负交错,郊区大部分为正值,并与VOCs敏感值接近.对于城区减排方案应考虑以仅VOCs削减为优先,而郊区由于NO_x和VOCs对臭氧减排效果相当,建议以NO_x：VOCs=1：1为优.     

氨基酸法现场快速测定废水中的磷酸盐

通过磷酸盐与钼酸盐、氨基酸反应使样品呈淡蓝色,讨论了在事故现场快速测定水中磷的方法。试验表明方法灵敏,操作简单快速。检测范围0～15mg/L。     

Flue gas treatability studies: a tool for techno-economic control of industrial air pollution

Air pollution problems in developing countries have gained larger fraction in the last decade especially due to non functioning and non implementation of effective air pollutioncontrol devices in industries. In industrial wastewater management, adequate treatability studies are conducted to arrive at a techno-economic treatment option. However no suchstudies were done for reducing air pollution or emission fromindustries until now in India. Little information was availableabout such studies in other countries. This article provides information about a novel technique known asflue gas treatability studies and to undertake such studies, a pilot scale system is installed in Air Pollution Control Divisionof M/s National Environmental Engineering research Institute, NEERI, Nagpur-20, India. This study is a tool for techno-economicselection of air pollution control systems specially for small/medium scale industrial emissions.     

有机磷酸酯诱导迟发性神经毒性及其对神经毒性酯酶（NTE）活性影响的动态研究

以成年产卵来航母鸡为试验动物，研究了三甲基苯基磷酸酯（Ｔｒｉ－ｏ－ＣｒｅｓｙｌＰｈｏｓ－ｐｈａｔｅ，ＴＯＣＰ）诱导的迟发性神经毒性．试验发现，母鸡口服ＴＯＣＰ（７５０ｍｇ／ｋｇ）后，经过大约８－１０ｄ的潜伏期开始出现中毒症状，其表现为以步态失调为主要特征的运动障碍呈进行性加重，至第２１ｄ开始便发展为瘫痪，对鸡脑神经病损靶标酯酶（ＮｅｕｒｏｐａｔｈｙＴａｒｇｅｔＥｎｚｙｍｅ，ＮＴＥ）活性的测定表明，有机械诱导的迟发性神经毒性（Ｏｒｇａｎｏｐｈｏｓｐｈａｔｅ－ＩｎｄｕｃｅｄＤｅｌａｙｅｄＰｏｌｙｎｅｕｒｏｐａｔｈｙ，ＯＰＩＤＰ）与ＮＴＥ活性抑制之间的关系不平行，其毒性症状的轻重与ＮＴＥ活性被抑制的强弱也不呈正相关，很可能，在给药后２４ｈ，体内ＯＰＩＤＰ已被触发，此外，实验观察到给予ＴＯＣＰ后被试鸡的体重明显下降。     

GHG emission reductions and costs to achieve Kyoto target

Emission projection and marginal abatement cost curves (MACs) are the central components of any assessment of future carbonmarket, such as CDM (clean development mechanism) potentials, carbon quota price etc. However, they are products of very complex,dynamic systems driven by forces like population growth, economic development, resource endowments, technology progress and so on. The modeling approaches for emission projection and MACs evaluation were summarized, and some major models and their results were compared.Accordingly, reduction and cost requirements to achieve the Kyoto target were estimated. It is concluded that Annex I Parties‘ total reduction requirements range from 503--1304 MtC with USA participation and decrease significantly to 140--612 MtC after USA‘ s withdrawal. Total costs vary from 21--77 BUSD with USA and from 5--36 BUSD without USA if only domestic reduction actions are taken. The costs would sharply reduce while considering the three flexible mechanisms defined in the Kyoto Protocol with domestic actions‘ share in the all mitigation strategies drons to only 0--16%.     

湖泊水体中硫酸盐增高的环境效应研究

通过对高原３个硫酸盐浓度差异的湖泊沉积物水界面硫的形态分布、扩散通量和碎屑有机硫通量等估算，揭示了湖泊水体硫酸盐增加以后的环境效应和自然反馈机制．研究认为：水体向沉积物内部扩散和界面硫酸盐还原作用是高硫酸盐浓度水体硫酸盐的主要清除作用，随硫酸盐浓度的增加，它在水体清除硫酸盐作用的贡献逐渐增大，而低硫酸盐含量湖泊水体生物同化吸收作用是水体硫酸盐的主要清除机制，它在硫酸盐浓度不同的水体没有差异．     

Effects of the new nitrification inhibitor 3,4-dimethylpyrazole phosphate (DMPP) on nitrate and potassium leaching in two soils

In this study, soil column was used to study the new nitrification inhibitor 3,4-dimethylpyrazole phosphate (DMPP) on nitrate (NO3--N) and potassium (K) leaching in the sandy loam soil and clay loam soil. The results showed that DMPP with ammonium sulphate nitrate (ASN) ((NH4)2SO4 and NH4NO3) or urea could reduce NO3--N leaching significantly, whereas ammonium (NH4 -N) leaching increased slightly. In case of total N (NO3--N NH4 -N), losses by leaching during the experimental period (40 d) were 37.93 mg (urea), 31.61 mg (urea DMPP), 108.10 mg (ASN), 60.70 mg (ASN DMPP) in the sandy loam soil, and 30.54 mg (urea), 21.05 mg (urea DMPP), 37.86 mg (ASN), 31. 09 mg (ASN DMPP) in the clay loam soil, respectively. DMPP-amended soil led to the maintenance of relatively high levels of NH4 -N and low levels of NO3--N in soil, and nitrification was slower. DMPP supplementation also resulted in potassium leached less, but the difference was not significant except the treatment ASN and ASN DMPP in the sandy loam soil. Above results indicate that DMPP is a good nitrification inhibitor, the efficiency of DMPP seems better in the sandy loam soil than in the clay loam soil and lasts longer.