2^nd International Conference on Advances in Chemical Engineering & Technology November 16-17, 2017 Paris, France (Hotel Novotel Marne la Vallée Noisy le Grand)

Carlos Zambra has his expertise in develop of mathematical models applied in computational mechanic to describe in two and three dimensional the transfer of momentum, heat and mass in porous medium. The main interest are the problems that involve chemical and biochemical reactions and new process such as membrane perstraction, pervaporation and membrane distillation.

Osmotic distillation (OD) is a membrane process used to evaporate water from a feed flow at ambient temperature. The most of the current mathematical models are based on phenomenological equations for boundary conditions and an equation for the transmembrane flux regardless the geometry of the membrane. These models are unable of describe the local variation which are product of geometric variables. If these variations were known this would allow improve predictions that can deliver information to build membrane modules with optimal geometries which is very important for efficiency, scalability and durability of them. A general 2D mathematical diffusion model adapted to one cylindrical hollow fiber was solved with the classical finite volume method proposed by Patankar. The boundary conditions consider the effective water activity in the boundary layer which is calculated using the UNIFAC and ASOG models. The accuracy of the solutions obtained with finite volume method are very good for diffusion problems. This is checked comparing the numerical results of a simple case with analytical results. Based on this an algorithm is developed to calculate the diffusion coefficient of gas phase through the membrane as function of feed concentration. In the commercial hollow fiber models the flow at the surfaces it is not the same. Three boundary zones for the mass distribution are clearly defined in studies of the fluid mechanics of hollow fiber modules. This is consider to describe the total mass transfer flow in a complete module used to concentrate cranberry juice. The numerical results allowed to reproduce experimental data of volume decrease of the juice and the augment of its concentration. These studies may be used to find the diffusion coefficient of a gas in a hollow fiber membrane as a function of the feed concentration and to optimize the mass transfer in membrane modules.

Irene Rapone graduated in industrial chemistry at La Sapienza University of Rome. She works in Eni, an Italian oil company, in Renewable Energy & Environmental R&D Center in Novara. She deals with process simulation in the department of process technologies.

The simulation of the FT synthesis section with iron catalyst is the aim of this work: Eni implemented the simulation of the FT reactor using kinetic data from experimental tests performed under kinetic-control and changing the type and design of the reactor. A model for the FT reactor has been developed with uniform and non uniform distribution of catalysts: state-of-the-art and FASTCARD alternative. A first sizing of the reactor has been performed. Moreover, the simulation developed in Eni include the complete FT section, with gas/liquid separation, recycle of not converted gas and purification of products, with the aim of enhancing the fuels recovery. FASTCARD aims to develop nano-designed iron based catalysts specifically for Biomass to Liquid (BTL) applications based on a fundamental understanding of the active sites for CO-hydrogenation and forward and reverse WGS. Eni used the experimental data obtained from its European partners to simulate the FT reactor. The work has included several activities: • Implementation of the correlations found in literature for FT and WGS (water gas shift) reactions in the Eni's proprietary software, called CheOpe (Chemical Operation). • Comparison between the results from different kinetics models (by the process simulator) and the data supplied from European partner (Johnson Matthey) in term of conversion and WGS has allowed to choose the two correlations having the best fit. • Regression of the kinetic model parameters to fit a set of experimental data and use these new modified parameters for the interpretation of new experimental data (all experimental data by Johnson Matthey). • Modelling of FT reactor using the new kinetic model (Figure1): the simulations have taken in to account the problem of heat removal. So the catalyst distribution has been studied in two cases: uniform and not uniform along the reactor. The impact on productivity has been underlined for the two cases. Acknowledgements. The investigation was carried out under the large scale collaborative project FASTCARD ("FAST Industrialisation by Catalysts Research and Development"), European Union 7th Framework Programme, Grant Agreement No 604277”.

Natalia Terán Acuña received her degree in Chemical Engineering from Universidad Industrial de Santanter (Colombia) in 2008, currently is student researcher in the master in materials engineering at the same university. Her research interests include the development of composite scaffolds for bone regeneration and the decontamination of industrial waste water.

Vitreous carbon foams have been shown to promote bone cell adhesion, mineralization and proliferation. However, their low mechanical resistance as well as their high manufacturing cost restrict their utilization in the biomedical area. The purpose of this study was to develop bone tissue engineering scaffolds from vitreous carbon foams, which were fabricated through the template route using an economical and renewable precursor. Towards this, cellulose sponges were impregnated with a sucrose-based resin and then carbonized under inert atmosphere. The effect of the concentration of the components of the resin (HNO3 and sucrose) on the mechanical and morphological properties of the resulting foams was determined. Moreover, the ability of the synthesized foams to promote cell adhesion was evaluated in vitro using human osteoblasts. Our results show that it was possible to produce vitreous carbon foams with highly interconnected polyhedral cells (cell size ~1000 μm). Scaffold morphology was strongly affected by the concentration of the catalyst in the resin (HNO3) due to its foaming effect, which lead to porous and irregular surfaces on the carbonaceous materials. Also, increasing the concentration of sucrose in the precursor resin favored the mechanical resistance of the resulting foams, reaching values close to the commercial foams. In conclusion, vitreous carbon foams with trabecular bone-like morphology were obtained from a non-toxic and renewable precursor. The fabricated foams were shown to be highly cytocompatible and to promote human osteoblast adhesion. Although the compressive strength of the foams is much lower than that of native bone, their high porosity will allow their reinforcement using an additional biocompatible phase (coating/filler). Therefore, the vitreous foams synthesized here could be used as the porous component of a composite biomaterial system for the treatment of bone defects.

Mahmoud Jaffari is an associate professor of physics at K. N. Toosi University of Technology. His PhD has been done in condensed mater field at University of Picardy Jules Verne in France (1991). His research interests are in the area of material science, in particularly computational study of physical properties of nanomaterial and 2D materials such as carbon and graphene. In addition his interests, work on fuel cell and biomaterial has been started.

In this paper, we have investigated the effect of impurity such as Fe on the electronic properties of Tin dioxide (SnO2) slab. The calculations have been performed in the framework of density functional theory and the GGA approximations within Quantum Espresso package. We employed two dimensional periodic boundary condition in the layered plane with a vacuum region (18Ã…) to ensure there was no interaction between SnO2 slabs. Our results show that the adding Fe impurity, change significantly the electronic properties of SnO2 slab and it create a magnetic property in the structure. The magnitude of the magnetic moment measured for Fe doped SnO2 slab is 3.98 Bohr Magneton.

Faroudja Mohellebi has her expertise in adsorption and sustainable development. She has always worked in the field of environmental protection and waste management. She has built several models after years of experience in research, evaluation, teaching and administration both in superior education institutions. Since the beginning of his career, Pr F. Mohellebi has been involved in multidisciplinary research on clays. In addition to their fundamental character, their research work almost always had an applied purpose. Its theme is centered on the physical-chemistry of lamellar materials (Clays, natural clay minerals) with the study * Surface properties and porosity, * Structural and textural modifications by thermal, chemical and / or physical means Currently, Prof. F. MOHELLEBI works on waste management by using them as a low cost adsorbent for emerging pollutants.

Environmental pollution as a consequence of technological evolvement has become one of the most crucial problems of the century [1]. Pharmaceutical pollutants (PPs) are a group of emerging anthropogenic hazard contaminants that contain different groups of human and veterinary medicinal compounds that are used widely all over the globe. PPs exist in the environment at a very low concentration but, generally due to their bio-accumulation, they pose a potential long-term risk for aquatic and terrestrial organisms.. Among the pharmaceuticals pollutants, the antibiotics deserve special attention because they are used in very large quantities and are biologically active molecules that can interact with specific biological targets leading to emergence of the phenomenon of microorganism’s resistance towards the potential pathogens such as bacteria. The adsorption process under laboratory conditions showed promising results in oxytetracyclin wastewater treatment in comparison with the traditional methods to treat pharmaceuticals discharge. Adsorbents that are commercially available, e.g., commercially activated carbon, are very effective but expensive [2,3]. Therefore, research is currently focused on adsorbents that remove pharmaceuticals pollutants from wastewater at a low cost [4,5 ]. An adsorbent can be considered low cost if it requires little processing is abundant in nature, or is a byproduct or waste material from another industry. Therefore, the natural adsorbents have gained much attention for the adsorption of various pollutants from an aqueous medium [6]. Bentonite clay may be an alternative adsorbent because of their abundance in most continents of the world and its low cost [7,8]. Bentonite is mainly composed of montmorillonite, consists of layers of two tetrahedral silica sheets sandwiching one octahedral alumina sheet. Adsorption of oxytetracyclin on grinded bentonite (particle size of 100 μm) was studied in batch reactor. This study investigated the influence of various parameters on the oxytetracyclin removal efficiency. These include bentonite types (untreated bentonite, Na-bentonite and H-bentonite), contact time, and effects of temperature. Results show that equilibrium was reached after 30 minutes of contact for the different bentonites. The results clearly depict that the Na-bentonite exhibited the best absorption under the conditions: Na-bentonite dosage of 4g/L, pH 6, reaction temperature of 19±1°C. It was found that the removal efficiencies of oxytetracyclin are of 70% and 80 % for antibiotic concentrations of 20 and 50 ppm, respectively. The adsorption isotherm data were well fitted well with Langmuir better than Freundlich models. Oxytetracyclin adsorption onto Na-bentonite was well represented by the pseudo second-order kinetic model. Thermodynamic parameters such as free energy change (ΔG°), enthalpy change (ΔH°) and entropy change (ΔS°) have been calculated on the basis of Langmuir constants. The negative values of ΔG° were indicative of the spontaneity of the adsorption process. The negative values of ΔH° revealed the exothermic nature of the adsorption process. The negative values of ∆S were due to the decrease in the degree of freedom resulting from the immobilization of pollutant molecules on the Na-bentonite surface.

Saliha Haddoum is a devoted Chemical Engineering lecturer at the Algiers Ecole Nationale Polytechnique. She is involved in Material Science and Catalysis and has authored or co-authored many papers in this field of research. During these last few years, she becoming more and more involved in bioenergy studies and sustainable development.

With increasingly stringent environmental and economic regulations, the main challenge faced by all industrial sectors is to find processes that are more environmentally friendly and less resource intensive (Fechete et al., 2008). In particular, the petrochemical industry has focused on the search for naphthenic ring-opening reactions on noble metal catalysts to improve the cetane number of diesel fuels and reduce harmful emissions (Kubicka Et al., 2004, McVicker et al., 2002, Jeddi et al., 2012). A practical solution is to find a "clean" and efficient catalyst to replace noble metal catalysts. Thus, the use of metal oxide catalysts can offer an alternative because of the environmental and economic advantages they provide, their good catalytic performance and their competitiveness with noble metals. In this context, the TUD-1 (Technische Universiteit Delft) mesoporous materials (Jansen et al., 2001) appear to be good candidates for hydrocarbon conversion in view of their large internal surface, high thermal stability and Which create new opportunities for heterogeneous catalysis (Beck et al., 1992). Therefore, in this study a research was conducted on Fe-TUD-1, to synthesize, characterize and test it in order to evaluate its catalytic capacity to convert the selected MCP as a model molecule.

Maryam Jaffari was born in Amiens in 1991. Her major is industrial engineering. She got bachelor degree at K N Toosi University of Technology at 2013. Now, she is pursuing industrial engineering master's student at Farabi campus of Tehran University. Moreover, she’s working as a system and methods expert in a construction company since 2012.

In this paper, we have investigated the thermal properties of titanium carbide nanowires (TiCNW). The calculations have been performed in the framework of density functional theory and the GGA approximations within Quantum Espresso package. To simulate a TiC nanowire with a diameter of ~3 nm, a unit cell of 8 atoms (four Ti and four C atoms) was considered. Cell parameters were set as follows: a=b=c=2.164 Ã…. Thermal properties were successfully carried out in terms of heat capacity (Cv) and entropy as a function of temperature. Our results shown that the Cv in nano are less than the bulk, while the entropy of the nano is higher than the bulk at all temperatures.

M. Fahed Qureshi.is currently a PhD fellow at Qatar University conducting research on improving effectiveness of low environmental impact gas hydrate inhibitors. He holds MSc degree in Chemical Process Research & Development from University of Leeds UK and has previously worked with Total E& P Qatar in Acid Stimulation project. He is also an associate member of Royal Society of Chemistry and Institute of Chemical Engineers UK. Currently, he has three publications in the field of gas hydrates and has been awarded Graduate studies research award for his PhD work by Qatar National Research Funds (QNRF). He is strongly interested in industry based research and entrepreneurship work.

Natural gas hydrates are ice-like crystalline compounds that are formed under higher pressure and low temperature conditions within offshore subsea lines. The formation of hydrate clusters is hazardous as they have the tendency to completely block the oil and gas pipelines and cause safety concern to nearby operators. Therefore, industry use thermodynamic hydrate inhibitors (THI) like methanol and mono-ethylene glycol (MEG) to prevent the risk of hydrate formation in offshore subsea lines. However, the major concern with the use of THI is that they are required in bulk quantity (>30 wt%), are highly flammable and cannot be easily dispose of into the environment. Ionic liquids (ILs) are organic salts with low melting point that have a tendency to exist in a liquid state at ambient temperature. They are widely applied in green chemical processes due to their negligible vapor pressure and low viscosity. Recently, ILs has been identified as the dual functional inhibitors as they can act as thermodynamic hydrate inhibitor and kinetic hydrate inhibitor both simultaneously. The thermodynamic inhibition (TI) and kinetic inhibition (KI) effectiveness of the IL varies with the amount used and the length of IL alky chain. In this work, the thermodynamic inhibition (TI) and kinetic inhibition (KI) effectiveness of pyrrolidinium based Ionic liquids (ILs) 1-Methyl-1-Propyl-pyrrolidinium Chloride [PM-Py][Cl] and 1-Methyl-1- Propyl-pyrrolidinium Triflate [PM-Py][Triflate] have been studied using quaternary gas mixture (Methane C1: 85.24 %, Ethane C2: 10.03 %, Carbon dioxide CO2: 2.49%, Nitrogen N2 : 2.22 and n-hexane C6+ : 0.02 %) on the rocking cell assembly (RC-5). The experiments are conducted using different concentrations (1-5 wt %) of ILs and within the pressure range of 40-120 bars. The experimental results, show that the selected ILs act as thermodynamic and kinetic inhibitors both simultaneously. The addition of synergents compounds like Caprolactum (VCAP) and Polyethylene Oxide (PEO) in equal ratio helps to improve their kinetic and thermodynamic inhibition effectiveness of ILs significantly. Acknowledgment: Author M. Fahed Qureshi would like to acknowledge GSRA. This work was made possible by GSRA # 2-1-0603-14012 from the Qatar National Research Fund (a member of Qatar Foundation). The statements made herein are solely the responsibility of the authors.