Studio e validazione sperimentale di un nuovo sistema per ultrafiltrazione in emodialisi

La dialisi, le cui basi sono state fondate a metà ottocento dal chimico Thomas Graham, è la terapia, alternativa al trapianto, utilizzata su pazienti affetti da insufficienza renale. Ad oggi tale terapia ha un numero sempre maggiore di utilizzatori, più di 2,5 milioni di persone al mondo, ragione per cui ha un impatto sempre più grande sul sistema sanitario. La terapia, ha come scopo principale quello ripristinare gli equilibri idro-elettrolitico e acido-base del sangue del paziente utilizzando principi quali ultrafiltrazione, convezione e diffusione. Per raggiungere questo obiettivo, il sangue del paziente viene fatto scorrere controcorrente al liquido di dialisi, di composizione nota, ai capi di una membrana semipermeabile. Nel caso dell’emodialisi tutto il processo si svolge in circolazione extracorporea. La dialisi viene eseguita quando i reni del paziente non riescono più a espletare la loro funzione, con conseguente accumulo di tossine e di liquidi, che nel giro di pochi giorni porterebbe alla morte se non si interviene. Data la sua funzione, una parte importante della macchina che esegue l’emodialisi, è il sistema di controllo dell’ultrafiltrazione, che permette di rimuovere in maniera controllata i liquidi che il paziente non riesce a smaltire in maniera autonoma. La rimozione di liquidi avviene mediante la creazione di un gradiente pressorio tra il lato sangue e il lato dializzato, che causa il passaggio di liquidi da una parte all’altra della membrana semipermeabile. Esistono vari metodi che permettono di realizzare questo processo, che si differenziano per la strategia utilizzata per creare i gradienti pressori; ognuno dei quali permette di ottenere una determinata accuratezza. Scopo del mio lavoro di tesi è stato quello di studiare e validare un nuovo sistema di realizzazione e controllo dell’ultrafiltrazione.

Analisi del rendimento di sistemi micro ORC di tipo sperimentale

In questo lavoro si analizza il rendimento isoentropico di diversi espansori adottati all’interno di sistemi micro-ORC (Organic Rankine Cycle). Si parte da una descrizione generale dei sistemi ORC, mettendone in evidenza le principali caratteristiche, il layout tipico, le differenze rispetto ad un ciclo Rankine tradizionale, e gli ambiti di utilizzo. Si procede ad una trattazione teorica del rendimento isoentropico del compressore e dell’espansore, specificando le ipotesi adottate nei calcoli e mettendo in luce la relazione tra rendimento isoentropico e politropico nell’uno e nell’altro apparato. Si passa poi alla descrizione delle quattro principali tipologie di espansori presenti in letteratura: scroll, screw, vane e piston, e si prosegue con l'analisi nel dettaglio della letteratura relativa alla valutazione dell’efficienza di questi quando utilizzati all’interno di un sistema micro-ORC. Infine, dopo aver descritto il sistema ORC del laboratorio di via Terracini del DIN, illustrandone layout, componenti principali, potenza scambiata all’interno dei componenti e modalità di calcolo adottata per la valutazione del rendimento isoentropico dell’espansore e del sistema complessivo, si confrontano i dati di efficienza di questo con quelli reperiti in letteratura. Il confronto del rendimento, dell'espansore e complessivo, del sistema del DIN, 33.8% e 1,818% rispettivamente, con quelli degli altri sistemi, è risultato di difficilmente valutazione a causa delle condizioni di forte off-design del sistema stesso. Dalla ricerca è inoltre emerso che i fluidi più utilizzati nella sperimentazione, e dunque capaci di migliori prestazioni, sono R245fa, R134a e R123. Per quel che riguarda infine gli espansori, nel range di potenza di 1-10 kW, lo scroll risulta essere il migliore.

Text watermarking e Social Network: uno studio sperimentale

La diffusione dei Social Network ha portato alla necessità di utilizzare tecniche per fare copyright e autenticazione dei file su di essi diffusi. Viene presentato un metodo di watermarking testuale basato sulla sostituzione dei caratteri omoglifi e studiato nell'ambiente dei Social Network. E' stata posta particolare attenzione sulla possibilità che questi adottino già tecniche di watermarking testuale e successivamente sono state studiate le potenzialità dell'algoritmo proposto sulle diverse piattaforme, valutandone la percentuale di successo, la robustezza e l'invisibilità.

Measurement of anisotropies of the kinetic energy and anharmonicity in pyrolytic graphite by neutron Compton scattering

Neutron Compton scattering (NCS) measurements of the anisotropy of the momentum distribution and the mean Laplacian of the interatomic potential ∇2V have been performed using electron volt neutrons, with wave vector transfers between 24 Å−1 and 98 Å−1. The measured momentum distribution of the atoms displays significantly more anisotropy than a calculation using a model density of states. We have observed anisotropies in ∇2V for the first time. The results suggest that the atomic potential is harmonic within the graphite planes, but anharmonic for vibrations perpendicular to the planes.

Neutron Compton scattering from selectively deuterated acetanilide

With the aim of developing the application of neutron Compton scattering (NCS) to molecular systems of biophysical interest, we are using the Compton spectrometer EVS at ISIS to characterize the momentum distribution of protons in peptide groups. In this contribution we present NCS measurements of the recoil peak (Compton profile) due to the amide proton in otherwise fully deuterated acetanilide (ACN), a widely studied model system for H-bonding and energy transfer in biomolecules. We obtain values for the average width of the potential well of the amide proton and its mean kinetic energy. Deviations from the Gaussian form of the Compton profile, analyzed on the basis of an expansion due to Sears, provide data relating to the Laplacian of the proton potential. (C) 1998 Elsevier Science B.V. All rights reserved.

The temperature dependence of the momentum distribution of beryllium measured by neutron Compton scattering

In this paper we report a new neutron Compton scattering (NCS) measurement of the ground state single atom kinetic energy of polycrystalline beryllium at momentum transfers in the range 27}104 As ~1 and temperatures in the range 110}1150 K. The measurements have been made with the electron Volt spectrometer (eVS) at the ISIS facility and the measured kinetic energies are shown to be &10% higher than calculations made in the harmonic approximation.

Final-state effects in neutron Compton scattering measurements on zirconium deuteride and beryllium

We report inelastic neutron scattering measurements of the neutron Compton profile, J(y), for Be and for D in polycrystalline ZrD2 over a range of momentum transfers, q between 27 and 178 °A−1. The measurements were performed using the inverse geometry spectrometer eVS which is situated at the UK pulsed spallation neutron source ISIS. We have investigated deviations from impulse approximation (IA) scattering which are generically referred to as final state effects (FSEs) using a method described by Sears. This method allows both the magnitude and the q dependence of the FSE to be studied. Analysis of the measured data was compared with analysis of numerical simulations based on the harmonic approximation and good agreement was found for both ZrD2 and Be. Finally we have shown how (∇2V), where V is the interatomic potential, can be extracted from the antisymmetric component of J(y).

Water-ethanol mixtures by molecular dynamics and x-ray Compton scattering

Water-ethanol mixtures are commonly used in industry and house holds. However, quite surprisingly their molecular-level structure is still not completely understood. In particular, there is evidence that the local intermolecular geometries depend significantly on the concentration. The aim of this study was to gain information on the molecular-level structures of water-ethanol mixtures by two computational methods. The methods are classical molecular dynamics (MD), where the movement of molecules can be studied, and x-ray Compton scattering, in which the scattering cross section is sensitive to the electron momentum density. Firstly, the water-ethanol mixtures were studied with MD simulations, with the mixture concentration ranging from 0 to 100%. For the simulations well-established force fields were used for the water and ethanol molecules (TIP4P and OPLS-AA, respectively). Moreover, two models were used for ethanol, rigid and non-rigid. In the rigid model the intramolecular bond lengths are fixed, whereas in the non-rigid model the lengths are determined by harmonic potentials. Secondly, mixtures with three different concentrations employing both ethanol models were studied by calculating the experimentally observable x-ray quantity, the Compton profile. In the MD simulations a slight underestimation in the density was observed as compared to experiment. Furthermore, a positive excess of hydrogen bonding with water molecules and a negative one with ethanol was quantified. Also, the mixture was found more structured when the ethanol concentration was higher. Negligible differences in the results were found between the two ethanol models. In contrast, in the Compton scattering results a notable difference between the ethanol models was observed. For the rigid model the Compton profiles were similar for all the concentrations, but for the non-rigid model they were distinct. This leads to two possibilities of how the mixing occurs. Either the mixing is similar in all concentrations (as suggested by the rigid model) or the mixing changes for different concentrations (as suggested by the non-rigid model). Either way, this study shows that the choice of the force field is essential in the microscopic structure formation in the MD simulations. When the sources of uncertainty in the calculated Compton profiles were analyzed, it was found that more statistics needs to be collected to reduce the statistical uncertainty in the final results. The obtained Compton scattering results can be considered somewhat preliminary, but clearly indicative of the behaviour of the water-ethanol mixtures when the force field is modified. The next step is to collect more statistics and compare the results with experimental data to decide which ethanol model describes the mixture better. This way, valuable information on the microscopic structure of water-ethanol mixtures can be found. In addition, information on the force fields in the MD simulations and on the ability of the MD simulations to reproduce the microscopic structure of binary liquids is obtained.

A computational study of Compton profiles of water - methanol solutions

The molecular level structure of mixtures of water and alcohols is very complicated and has been under intense research in the recent past. Both experimental and computational methods have been used in the studies. One method for studying the intra- and intermolecular bindings in the mixtures is the use of the so called difference Compton profiles, which are a way to obtain information about changes in the electron wave functions. In the process of Compton scattering a photon scatters inelastically from an electron. The Compton profile that is obtained from the electron wave functions is directly proportional to the probability of photon scattering at a given energy to a given solid angle. In this work we develop a method to compute Compton profiles numerically for mixtures of liquids. In order to obtain the electronic wave functions necessary to calculate the Compton profiles we need some statistical information about atomic coordinates. Acquiring this using ab-initio molecular dynamics is beyond our computational capabilities and therefore we use classical molecular dynamics to model the movement of atoms in the mixture. We discuss the validity of the chosen method in view of the results obtained from the simulations. There are some difficulties in using classical molecular dynamics for the quantum mechanical calculations, but these can possibly be overcome by parameter tuning. According to the calculations clear differences can be seen in the Compton profiles of different mixtures. This prediction needs to be tested in experiments in order to find out whether the approximations made are valid.

The Electronic Structure of Graphite from Compton Profile Measurements

Compton profile data are used to investigate the ground state wavefunction of graphite. The results of two new $\gamma$-ray measurements are reported and compared with the results of earlier $\gamma$-ray and electron scattering measurements. A tight-binding calculation has been carried out and the results of earlier calculations based on a molecular model and a pseudo-potential wavefunction are considered. The analysis, in terms of the reciprocal form factor, shows that none of the calculations gives an adequate description of the data in the basal plane although the pseudo-potential calculation describes the anisotropy in the plane reasonably well. In the basal plane the zero-crossing theorem appears to be violated and this problem must be resolved before more accurate models can be derived. In the c-axis direction the molecular model and the tight binding calculation give better agreement with the experimental data than does the pseudopotential calculation.

Local structure of water studied by Compton scattering

This thesis presents a novel application of x-ray Compton scattering to structural studies of molecular liquids. Systematic Compton-scattering experiments on water have been carried out with unprecedented accuracy at third-generation synchrotron-radiation laboratories. The experiments focused on temperature effects in water, the water-to-ice phase transition, quantum isotope effects, and ion hydration. The experimental data is interpreted by comparison with both model computations and ab initio molecular-dynamics simulations. Accordingly, Compton scattering is found to provide unique intra- and intermolecular structural information. This thesis thus demonstrates the complementarity of the technique to traditional real-space probes for studies on the local structure of water and, more generally, molecular liquids.

The role of Compton and Raman scattering in the quasar continuum

There are three ways in which an electromagnetic wave can undergo scattering in a plasma: (i) when the scattering of radiation occurs by a single electron, it is called Compton Scattering (CS); (ii) if it occurs by a longitudinal electron plasma mode, it is called Stimulated Raman Scattering (SRS), and (iii) if it occurs by a highly damped electron plasma mode, it is called Stimulated Compton Scattering (SCS). The non-thermal continuum of quasars is believed to be produced through the combined action of synchrotron and inverse Compton processes, which are essentially single-particle processes. Here, we investigate the role of SRS and SCS in the generation of continuum radiation from these compact objects. It is shown as an example that the complete spectrum of 3C 273 can be reproduced by suitably combining SCS and SRS. The differential contributions of SCS and SRS under different values of the plasma parameters are also calculated.