Analysis of a new multispecies tumor growth model coupling 3D phase-fields with a 1D vascular network

In this work, we present and analyze a mathematical model for tumor growth incorporating ECM erosion, interstitial flow, and the effect of vascular flow and nutrient transport. The model is of phase-field or diffused-interface type in which multiple phases of cell species and other constituents are separated by smooth evolving interfaces. The model involves a mesoscale version of Darcy’s law to capture the flow mechanism in the tissue matrix. Modeling flow and transport processes in the vasculature supplying the healthy and cancerous tissue, one-dimensional (1D) equations are considered. Since the models governing the transport and flow processes are defined together with cell species models on a three-dimensional (3D) domain, we obtain a 3D–1D coupled model.     

水热法制备二氧化锡/钨酸铋复合光催化材料及其催化活性研究

本文用水热法制备了正交晶系的纳米球状结构的二氧化锡和正交晶系的由片状聚集成球状结构的钨酸铋,并且对二者进行了复合,制备出了二氧化锡/钨酸铋复合光催化材料。采用X射线衍射(XRD)、扫描电子显微镜(SEM)、比表面积测试仪(BET)、紫外可见分光光度计等技术对复合样品的结构、形貌、比表面积、孔容孔径和光学性质进行了表征。用碘钨灯模拟太阳光,分别以二氧化锡、钨酸铋和二氧化锡/钨酸铋复合材料为催化剂降解罗丹明B(RhB),研究所制备的二氧化锡/钨酸铋复合材料的光催化活性。光催化90 min时二氧化锡、钨酸铋和二氧化锡/钨酸铋对罗丹明B的降解率分别是9%、22%和30%。实验结果表明,在可见光下,二氧化锡/钨酸铋复合材料的光催化活性要高于单一的二氧化锡和钨酸铋。     

核壳Fenton催化剂CuFe_2O_4@PDA-Cu的制备、表征及其活化H_2O_2降解染料的性能

为得到新型高效多相催化剂,有效去除废水中的染料,以Cu(Ac)_2与CuFe_2O_4@PDA为原料制备了催化剂CuFe_2O_4@PDA-Cu.通过IR、XRD、XPS、UV-Vis、DRS技术对催化剂的性能进行了表征,考察了温度、H_2O_2用量、催化剂用量、pH值、盐等对催化活性的影响.利用HPLC测定降解产物,采用自由基捕获和抑制实验进行机理验证,发现催化剂是核壳结构.温度升高、pH值升高、H_2O_2和催化剂用量的增加均有利于提高催化活性;氯化物、硫酸盐、硝酸盐和磷酸盐不影响催化效果,溴化物和亚硝酸盐降低了催化效果.得到的最优降解条件为:T=30℃,催化剂用量10mg·L~(-1),pH=9,过氧化氢用量10mmol·L~(-1),染料浓度30mg·L~(-1).最优条件下催化剂可循环使用4次以上;甲基橙、茜素红和罗丹明B的去除率为100%;染料R0213、O0118和B0115的去除率大于60%.降解产物有草酸、马来酸和CO_2.甲基橙、茜素红和罗丹明B降解后COD_(Mn)=2~4mg·L~(-1).水杨酸捕获·OH生成2.5-二羟基苯甲酸,叔丁醇抑制染料降解.结果表明,催化剂可活化H_2O_2产生·OH,·OH攻击染料分子开环降解直至矿化.该研究为开发高效多相催化剂,有效去除废水中的染料提供了科学依据.     

Kinetics Study of the Thermal Decomposition of Post-consumer Poly(Ethylene Terephthalate) in an Argon Atmosphere

The thermal decomposition of post-consumer samples of a carbonated water bottle made of poly(ethylene terephthalate), PC-PET, was examined by linear temperature programing under an argon atmosphere to determine its mass loss kinetics. A simple kinetic model, called the first order pseudo single-component model, was used. The total weight-loss of each sample assumed to be in two periods, with each period corresponding to a one step decomposition of the PC-PET to volatiles. Three methods for determining the kinetic parameters by thermal gravimetric analysis were examined: differential analysis at a constant heating rate (differential), temperatures of a given conversion at a number of heating rates (isoconversional), and the maximum rate at multiple heating rates (peak temperature). The latter two multiple heating rates methods results were comparable to each other but they were not in agreement with the results from the differential method. The results of the differential method were insensitive to the heating rate and consistent with kinetics data reported in the literature for PET.     

Dissipation of chlortetracycline in the aquatic environment: Characterization in terms of a generalized multiphase pseudo–zero-order rate law

The kinetics of the dissipation of chlortetracycline in the aquatic environment was studied over a period of 90 days using microcosm experiments and distilled water controls. The distilled water control experiments, carried out under dark conditions as well as exposed to natural sunlight, exhibited biphasic linear rates of dissipation. The microcosm experiments exhibited triphasic linear rates of degradation both in the water phase (2.7 × 10⁻², 7 × 10⁻³, 1.3 × 10⁻³ μg g⁻¹ day^–1) and the sediment phase (3.4 × 10⁻², 6 × 10⁻³, 1 × 10⁻³ μg g⁻¹ day^–1). The initial slow rate of dissipation in the dark control (3 × 10⁻³ μg g⁻¹ day^–1) was attributed to a combination of evaporation and hydrolysis, whereas the subsequent fast rate (1.8 × 10⁻³ μg g⁻¹ day^–1) was attributed to a combination of evaporation, hydrolysis, and microbial degradation. For the sunlight-exposed control, the initial slow rate of dissipation (1.5 × 10⁻³ μg g⁻¹ day^–1) was attributed to a combination of evaporation, hydrolysis, and photolysis, whereas the subsequent fast rate was attributed to a combination of evaporation, hydrolysis, photolysis, and microbial degradation (5.1 × 10⁻³ μg g⁻¹ day^–1). The initial fast rate of dissipation in the water phase of the microcosm experiment is attributed to a combination of evaporation, hydrolysis, photolysis, and microbial degradation, whereas all subsequent slow rates in the water phase and all rates of degradation in the sediment phase are attributed to microbial degradation of the colloidal and sediment particle adsorbed antibiotic. A multiphase zero-order kinetic model is presented that takes into account (a) dissipation of the antibiotic via evaporation, hydrolysis, photolysis, microbial degradation, and adsorption by colloidal and sediment particles and (b) the dependence of the dissipation rate on the concentration of the antibiotic, type and count of microorganisms, and type and concentration of colloidal particles and sediment particle adsorption sites within a given aquatic environment.     

A Polypyridyl‐Based Layered Complex as Dual‐Functional Co‐catalyst for Photo‐Driven Organic Dyes Degradation and Water Splitting

With the ever‐increasing concerns on environmental pollution and energy crisis, it is of great urgency to develop high‐performance photocatalyst to eliminate organic pollutants from wastewater and produce hydrogen via water splitting. Herein, a polypyridyl‐based mixed covalent Cu^I/II complex with triangular {Cu₃} and rhombic {Cu₂Cl₄} subunits alternately extended by mixed SCN^– and Cl^– heterobridges [Cu₄(DNP)(SCN)Cl₄]_n ( 1 ) [DNP = 2,6‐bis(1,8‐naphthyridine‐2‐yl)pyridine] was solvothermally synthesized and employed as a dual‐functional co‐photocatalyst. Resulting from a narrowed band‐gap of 1.07 eV with suitable redox potential and unsaturated Cu^I/II sites, the complex together with H₂O₂ can effectively degrade Rhodamine B and methyl orange up to 87.4 and 88.2 %, respectively. Meanwhile, the complex mixed with H₂PtCl₆ can also accelerate the photocatalytic water splitting in the absence of a photosensitizer with the hydrogen production rate of 27.5 μmol · g^–1 · h^–1. These interesting findings may provide informative hints for the design of the multiple responsive photocatalysts.     

原位合成Bi3O4Br/Bi12O17Br2光催化剂及其对磺胺甲噁唑降解性能

Bi_xO_yBr_z光催化剂在有机药物废水处理领域有着非常广阔的潜在应用价值,但因光生电子和空穴的快速复合而表现出较低的光催化效率,进而限制了其应用范围。通过简易的水解-焙烧法原位制得一种新型的Bi₃O₄Br/Bi₁₂O₁₇Br₂复合光催化剂,并以磺胺甲噁唑(SMX)为模拟药物污染物进行了光催化性能测试,对所制催化剂进行了X射线衍射(XRD)、X射线光电子能谱(XPS)、扫描电子显微镜(SEM)、紫外可见漫反射光谱(UV-Vis DRS)、电化学阻抗(EIS)、光致发光光谱(PL)等表征。结果表明所制备的Bi₃O₄Br/Bi₁₂O₁₇Br₂复合光催化剂具有较强的光生载流子分离率、较低的界面电荷转移电阻,进而展示出优异的光催化降解SMX性能,在模拟太阳光下照射30 min,SMX降解率达到87%,相较于纯的Bi₃O₄Br和Bi₁₂O₁₇Br₂催化剂,降解率分别提升了30%和24%。最后基于自由基捕获实验和催化剂能带结构分析了所制催化剂的降解机理。     

两个基于2,5-二甲氧基对苯二甲酸和咪唑衍生物的超分子钴配位聚合物的结构及光催化反应

本文以咪唑衍生物为配体,通过水热合成法与钴离子制备出两个配位聚合物:{[Co(DTA)(1,4-DIB)(H₂O)]·H₂O}_n(1)和[Co(DTA)(1,3-BMIB)]_n(2)(1,4-DIB=1,4-二(1H-咪唑-1-基)苯; 1,3-BMIB=1,3-二(4-甲基-1H-咪唑-1-基)苯;H₂DTA=2,5-二甲氧基对苯二甲酸)。利用X射线单晶衍射、粉末衍射、热失重、元素分析、红外光谱以及固体紫外-可见光谱等对两个配合物进行了表征。结构分析证实配合物1和2是通过二维结构堆积成的三维超分子化合物。粉末衍射测试则显示两个配合物在水中有很好的稳定性。固体紫外-可见光谱显示两个配合物属半导体材料,对紫外-可见光有很强的吸收作用。在光催化实验中,配合物1和2可加快亚甲基蓝的降解速度。