In many countries around the world, municipal sewage and industrial wastewaters are typically treated, or sometimes only partially treated, prior to their discharge into surface waters. A major anionic surfactant, Linear Alkyl benzene Sulfonate (LAS), and a degraded product of a non-ionic surfactant, Nonylphenol (NP), are frequently found in municipal wastewaters. When wastewater containing such surfactants and their degraded products is used for irrigation, it can have an effect on the sorption/desorption and movement of pesticides in soils. Therefore, a lysimeter study was conducted, in summer 2004, to assess the effect of LAS and NP on the movement of agricultural herbicides through a sandy loam soil. The degradation of the herbicides was studied in lysimeters over a ninety-day period. Irrigation water with a concentration of 12 mg L -1 of LAS and NP was used to assess their effect on the leaching of atrazine, metolachlor, and metribuzin. Moreover, a laboratory sorption experiment was undertaken to estimate the partition coefficients (kd) of the three herbicides with water containing the same concentrations of LAS and NP. Irrigation water containing low concentrations of surfactants (LAS and NP) did not increase leaching of the three herbicides. Therefore, these results would reduce the concerns regarding pesticide leaching through sandy soil brought on by LAS and NP in wastewaters for irrigation, which is becoming more important due to increasing water scarcity in the dry climate regions of the world. / Beside the lysimeter study, mathematical models can be used effectively and economically in a very short period of time for simulating herbicide concentrations into soil. PESTFADE, a one dimensional transient flow model, was used, in this study, to simulate the fate of the three herbicides in sandy soils. Another model, Artificial Neural Network (ANN), was also used over mathematical modeling due to its faster execution period and less input parameter requirements, for predicting the concentrations of the three herbicides in a sandy loam soil. The predicted concentrations, from both models were compared with the experimental results from the lysimeter study. Although slight overestimations and underestimations were observed, both models simulated herbicide concentrations in the soil profile satisfactorily.

19 Dec 2004. / Published through the Information Bridge: DOE Scientific and Technical Information. "IS-T 1944" Lisa M. Ponton. 12/19/2004. Report is also available in paper and microfiche from NTIS.

Verändern Photoreaktionen eingelagerter Substanzen die Klärtemperatur flüssigkristalliner Polyelektrolyt-Tensid-Komplexe? Komplexe (Salze) aus Polyaminen und Alkylsulfonsäuren bilden mit Wasser einen hexagonalen Flüssigkristall, der sich beim Erwärmen in eine optisch isotrope Phase umwandelt. In diese Demethylionenalkylsulfonate genannten Komplexe werden Bisthienylcyclopentene mit Alkylsulfonatseitenketten zwar ortsfest eingelagert, deren Photozyklisierung verschiebt das Gleichgewicht jedoch nur wenig von der hexagonalen zur isotropen Phase. Hingegen verläuft die Photozyklisierung der Bisthienylcyclopentene im festen Komplex teilweise deutlich langsamer als in Lösungen. / Can photoreactions of embedded substances change phase transition temperatures of polyelectrolyte surfactant complexes? Complexes made from polyamines and alkyl sulfonates form an hexagonal liquid crystal in presence of water, which is converted to optical isotropic phase by heating. These complexes resembling those of ionenes are called demethyl-ionene alkyl sulfonates. Bisthienylcyclopentenes bearing alkyl sulfonate side chains are incorporated into these complexes and keep their locations over prolonged periods of time, but the photocyclization of the chromophore only slightly shifts the equilibrium from hexagonal liquid crystal towards the optical isotropic phase. Conversely, the photocyclization of bisthienylcyclopentenes partially proceeds appreciably slower within the solid complex than in solution.

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BACKGROUND: Perfluorinated compounds (PFCs) have been used as durable water and oil repellent treatments in clothing for more than 50 years. The reason for its popularity is related to the chemical structure, which also makes these compounds persistent in the environment. Numerous studies have shown negative environmental and health effects related to high concentrations of perfluorinated compounds in blood serum. Due to these studies, this paper aimed to find out if perfluorinated compounds could be replaced by non-perfluorinated without compromising performance related to water and oil repellency. METHODOLOGY: A reference sample impregnated with fluorocarbons was compared with the following non-perfluorinated treatments, aliphatic polyurethane (comb polymer) organic silicone and acid (comb polymer) and hydrocarbon (dendrimer). Impregnations were subjected to abrasion, UV-radiation and washing and after each destructive treatment; oil and water repellency tests were conducted. The environmental and health effect of all treatments were examined in a theoretical study. RESULTS: Due to difficulties with the impregnation process, comparable results could only be concluded with the perfluorinated and the hydrocarbon compound. The hydrocarbon was superior the perfluorinated compound to abrasion but for usage simulation methods that allowed chemical reactions, hence UV-radiation and washing, the fluorocarbons showed better resistance. CONCLUSION: Results show that the hydrocarbon treatment could replace perfluorinated treatments commercially when only water and not oil repellency is required. The alternative treatments in this study are not yet sufficiently examined with respect to environmental and health and can therefore not be called greener with certainty. / Program: Textilingenjörsutbildningen

Les appareils de haute technologie (ordinateurs, télévisions, téléphones, …) sont fabriqués à partir de composants relativement simples (transistors, diiodes électroluminescentes, …) qui utilisent du silicium comme semiconducteur. En électronique moléculaire, les composés organiques π- conjugués qui ont un écart HOMO-LUMO faible peuvent présenter cette propriété. Dans le cadre de ce travail, nous avons étudié la synthèse de nouveaux semiconducteurs organiques parpolymérisation par métathèse d’alcynes. Pour cela, des composés de type dialcynylaromatique ont été préparés. Leur étude en polymérisation ainsi que leurs propriétés électroniques ont été réalisées dans des laboratoires collaborateurs d’un projet ANR (CADISCOM). Dans une seconde partie, indépendante de la première, les couplages croisés catalysés par le palladium sont d’une importance capitale dans la chimie organique de synthèse actuelle. De nombreux travaux ont été menés sur le partenaire organométallique de la réaction, mais très peu en ce qui concerne le partenaire électrophile. Lors de ce travail, nous avons élaboré un nouveau groupe partant à partir de précurseurs très peu onéreux que nous avons pu appliquer dans les quatre "grands couplages" les plus utilisés (Suzuki, Stille, Sonogashira et Heck). / High-technology devices (computers, TV, mobile phones, …) are manufactured from simple components (transistors, LED, …) which use silicium as semiconductor. In organic electronics, π- conjugated organic compounds with low HOMO-LUMO gap can show this property. This work is dealing with the synthesis of new organic semiconductors via alkyne metathesis polymerization.Dialkynyl compounds were synthetized. Their polymerization studies as well as electronic characterization were conducted by collaborating groups in an ANR project (CADISCOM). In an independent second part, palladium-catalyzed cross-coupling are of great importance in actual organic synthesis. Many studies have been focused on the organometallic partner of the reaction,but the electrophilic partner have received much less attention. In this work, we developed a new leaving group from cheap precursors that we applied in the four most well-known couplings (Suzuki, Stille, Sonogashira, Heck).

Proton conducting membranes are a key component in fuel cell designs. Properties like proton conductivity, water uptake, ion exchange capacity and physiochemical stability dictate the performance and longevity of the complete fuel cell system. Designing a proton conductiting membrane takes several factors, such as monomer choice and their respective functionalization into account. Besides that, economically favourable reactions as well as environmental compability have to be considered. This work demonstrates the development of a fuel cell membrane material starting from broadly available, cost-efficient educts. Few reaction steps, also including cost-efficient reagents, have been employed in order to obtain a doubly sulfonated monomer based on naphthalene-1,5-disulfonic acid (Armstrong´s acid) suitable for polymerizations. Suzuki polycondensation of the given monomer partly yielded processable films for further investigation. A cost-efficient, atom-economic deprotection stategy was developed for sulfonated polyphenylenes, yielding proton conducting membranes. Further modification of the backbone structure, by incorporating an excess of hydrophobic meta,meta,meta-terphenylene units, led towards balanced properties of the material. The impact of polymer constitution, was investigated and discussed via the implementation of para,meta,para-substituted instead of meta,meta,meta-substituted terphenylene. Alternating and statistical copolymers including para,meta,para-substituted terphenylene were developed and investigated. The reported proton conducting membranes pose suitable and promising candidates for fuel cell applications.

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