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Charles University in PragueFaculty of Mathematics and Physics

S U M M A R Y O F D O C T O R A L T H E S I S

tepn roucka

L A B O R A T O RY A S T R O C H E M I S T R Y A N D A P P L I C AT I O N S O FC O M P U T E R S I M U L A T I O N S

Department of Surface and Plasma ScienceSupervisor of the doctoral thesis: Prof. RNDr. Rudolf Hrach, DrSc.

Advisor: Prof. RNDr. Juraj Glosk, DrSc.

Study branch: 4F2Physics of Plasmas and Ionized Media

Prague, June 2012


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Univerzita Karlova v PrazeMatematicko-fyzikln fakulta

A U T O R E F E R T D I S E R T A C N P R C E

tepn roucka

L A B O R A T O R N A S T R O C H E M I E A A P L I K A C EP O C T A C O V C H M O D E L U

Katedra fyziky povrchu a plazmatuVedouc doktorsk prce: Prof. RNDr. Rudolf Hrach DrSc.

Konzultant: Prof. RNDr. Juraj Glosk, DrSc.

Studijn obor: 4F2Fyzika plazmatu a ionizovanch prostred

Praha, cerven 2012


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Dizertacn prce byla vypracovna na zklade vsledku, kter byly zsknybehem doktorskho studia na MFF UK v Praze v letech 20082012.

Uchazec:Mgr. tepn Roucka

Katedra fyziky povrchu a plazmatu MFF UKV Holeovickch 2180 00 Praha 8

kolitel:prof. RNDr. Rudolf Hrach DrSc.Katedra fyziky povrchu a plazmatu MFF UKV Holeovickch 2180 00 Praha 8

Oponenti:prof. RNDr. Stanislav Novk CSc.Katedra fyziky PrF UJEPCesk mldee 8400 96 st nad Labem

Mgr. Zdenek Bonaventura, Ph.Dstav fyzikln elektroniky PrF MUKotlrsk 267/2611 37 Brno

Autorefert byl rozesln dne 17. srpna 2012

Obhajoba se kon dne 19. zr 2012 od 11:00 pred komis pro obhajobydizertacnch prac v oboru F2, fyzika plazmatu a ionizovanch prostred,v mstnosti A042 na KFPP MFF UK, V Holeovickch 2, Praha 8.

S dizertac je mono se seznmit na studijnm oddelen doktorskstudium MFF UK, Ke Karlovu 3, Praha 2. Elektronick verze je k dis-pozici na http://www.roucka.eu/thesis

Predsedkyne oborov rady F2: prof. RNDr. Jana afrnkov, DrSc.

iv
http://www.roucka.eu/thesishttp://www.roucka.eu/thesis


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C O N T E N T S

1 in tr od uc t io n 12 computational techniques 2

2.1 Electromagnetic Fields 22.2 Particle Modelling 2

3 experimental techniques 3

3.1 RF Ion Trapping 33.2 MAC-E Filter 4

4 the es-mpt apparatus 44.1 Design of the MAC-E Filter 54.2 Motion in Superimposed RF and Magnetic Fields 54.3 Energy Resolution of the ES-MPT 64.4 Experimental Results 7

5 m e asu re m en t o f t h e H+ H rate coefficient 95.1 Experimental 105.2 Results and Discussion 10

6 electron kinetics in the afterglow plasma 11

6.1 Cooling of the Carrier Gas 126.2 Collisional Radiative Recombination 136.3 Electron Temperature in the Afterglow 136

.4

Recombination Kinetics - Experimental Results14

bibliography 16

a list of publications 19

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1 I N T R O D U C T I O N

A major part of this work is focused on various aspects of the associativedetachment (AD) reaction. The AD reaction is a general process, whichcan be symbolically described as

A + B AB AB(v, J) + e(E) . (1)

The short-lived reaction complex AB plays a role in a number of scat-tering processes besides the associative detachment, e. g., in elastic andinelastic electron-molecule scattering, dissociative electron attachment,

collisional detachment, or other types of reactive scattering.

The H2 Reaction Complex

An important example of the AD is the reaction of H+ H described byequation

H+ H H2 + e H = 3.723 eV . (2)

The symbol H indicates the reaction enthalpy. The AD reaction of

H

+ H belongs to the main channel of the molecular hydrogen produc-tion in the primordial gas, which in turn allowed efficient cooling andformation of protogalaxies and population III stars. It was shown thata big uncertainty in the knowledge of the rate coefficient introduces un-certainties of several orders of magnitude into the models of formationof protogalaxies (Glover et al., 2006).

The reaction was investigated by several theoretical studies. Amongthem, Bieniek and Dalgarno, 1979 emphasized the need for the statespecific cross sections and presented such cross sections for two elec-tron energies. The theoretically predicted product energy distributions

of H+ H AD have been not been studied experimentally yet. The ques-tion of the product energy distributions of the H + H associative de-tachment is our main motivation for building a new apparatuselectronspectrometer with a multipole trap (ES-MPT), which will be capable of mea-suring energy distributions of electrons produced in a radiofrequencyion trap.

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The H2O Reaction Complex

The first collision system which will be studied with the ES-MPT isO+ H2. At low energies, this reaction can proceed via two exothermicchannels (Lee and Farrar, 1999)

O+ H2 H2O + e H = 3.60 eV (3) OH + H H = 0.28 eV . (4)

The product energy distributions of these reactions have been studiedby several authors. Lee and Farrar, 1999 studied the vibrational distribu-tion of the OH and OD products. They have found strong unpredictedisotopic effects and suggest that the presence of the associative detach-ment channel can be related to these effects. The isotopic effects on theenergy distribution of electrons have not been studied so far. Therefore,studying the isotopic effects on the associative detachment reaction is

one of the aims of the newly built electron spectrometer with a multi-pole trap (ES-MPT) apparatus described in chapter 4.

2 C O M P U T AT I O N A L T E C H N I Q U E S

Our models are mainly based on analysis of the behavior of the chargedparticles in external electromagnetic fields.

2.1 electromagnetic fields

The electrostatic fields are calculated by the finite difference and finiteelement methods. Our models implement a two-dimensional finite dif-ference solver of the Poisson equation in cartesian and cylindrical co-ordinates. The sets of linear equations are solved using the UMFPACKlibrary (Davis, 2004).

In complicated geometries, we employ the finite element method. Theequations for the electrostatic and magnetostatic scalar and vector poten-

tials in two and three dimensions are solved using freely available finiteelement solvers FEniCS (Logg and Wells, 2010; Logg et al., 2012), Elmer(see Elmer in the bibliography), and FEMM (Meeker, 2009).

2.2 particle modelling

The equations of motion are integrated numerically using the simplesecond order leap frog scheme. The magnetic force is incorporated usingthe half-acceleration rotation half-acceleration (HARHA) scheme (Birdsall

and Langdon,1991

).

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The collisions of the charged particles are accurately simulated usingthe Monte Carlo method. The null collision method is used to improve theefficiency of the simulation while retaining its accuracy. We implementthe Langevin model of ion-neutral collisions (Nanbu and Kitatani, 1995).The electron collisions include electron-neutral collisions with arbitrary

cross-sections and Coulombic collisions of electrons with other electronsand ions.

3 E X P E R I M E N T A L T E C H N I Q U E S

3.1 r f io n t r ap p in g

The RF trapping technique is involved in the majority of experiments

related to this work. It is based on storing a particle of charge q andmass m in an effective potential V given by equation

V =q2E20

4m2. (5)

The potential is produced by an inhomogeneous oscillatory electric fieldE(r, t) = E0(r) cos(t), where denotes the angular frequency of oscil-lations.

The approximate solution in the form of the effective potential is calledthe adiabatic approximation. The range of validity of the adiabatic approx-

imation is characterized by the adiabaticity parameter, which is definedas

= 2q|E0|/m2 . (6)

It is discussed by Gerlich, 1992 that the adiabatic approximation is validwith good accuracy for < 0.3.

3.1.1 Linear Multipole Traps

A specialbut widely usedsubset of the radio-frequency (RF) multi-

pole traps are the linear multipole traps. The field of a linear 2n-poleis produced by placing 2n parallel conducting rods with diameter d ina circular configuration with inscribed radius r0. RF potential with am-plitude V0 is assigned to the rods in alternating manner. The effectivepotential of the linear multipole can be expressed as

V =1

8

(qV0)2

r2n2 , (7)

where V0 is the amplitude of the alternating potential applied to therods, U0 is the static part of the potential, and r = r/r0 is the reduced

radius.

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3.2 mac-e filter

The name MAC-E filter stands for the Magnetic Adiabatic Collimatorwith Electrostatic filter. The MAC-E filter is an energy spectrometer de-veloped by Beamson et al., 1980. The principle of the adiabatic collima-

tion lays in the adiabatic transformation of a random initial velocity intoa collimated velocity in a decreasing magnetic field. This process is aconsequence of the conservation of the magnetic moment

=E

B= const. , (8)

where E is the kinetic energy associated with the motion perpendicularto the magnetic field.

We assume that the particles are produced at a point (1) with energyE and a isotropic velocity distribution. The particles travel from field B1

at point (1) to field B2 at point (2). The resolution E of the MAC-E filterdefined as the theoretical peak width can be calculated as

E

E=

B2B1

. (9)

4 T H E E S - M P T A P PA R A T U S

To investigate the product energy distributions of the AD reaction underthe thermal conditions at temperatures of 300 K and below, we havestarted the development of a novel experimental technique based on thecombination of an ion trap with an electron spectrometerthe electronspectrometer with a multipole trap (ES-MPT).

The configuration of the experimental setup is schematically shownin figure 1. The ions are produced in the RF storage ion source, massselected in the quadrupole mass spectrometer (QPMS), and injected intothe RF octopole ion guide, which is used as a trap.

Figure 1: Schematic drawing of the main components of the ES-MPT apparatus.

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Figure 2: Electromagnetic design of the MAC-E filter - cross section. Calculatedmagnetic flux tube emanating from the ion trapping region is shown.

The magnetic field of the electron spectrometer (MAC-E filter) guidesthe electrons produced in the trap into the weak field region, where aretarding potential barrier is applied. A microchannel plate (MCP) de-tector is used to detect the ions and electrons.

4.1 d e sig n o f t h e m ac-e filter

The electromagnetic fields of the MAC-E filter are designed to achievethe relative resolution

E

E=

BminBmax

=1

30. (10)

The field in the trap is produced by two coils (approximately Helm-holtz coils) surrounded by two ferromagnetic rings as indicated in figure2. The configuration of coils and electrodes was developed with the help

of computer simulations and experimentally verified by measuring themagnetic field using a Hall probe (Roucka et al., 2010).

4.2 motion in superimposed rf and magnetic fields

In order to assess the feasibility of running the linear multipole RF trapin a weak magnetic field, we investigate the problem of ion motion ina superposition of RF and magnetic field. An important parameter for

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Figure 3: Resonant increase of the particles kinetic energy as a function of =c/.

describing the interplay of magnetic and electric fields is the ratio of thecyclotron frequency c to the RF frequency ,

= c/ . (11)

In the case of 1 , which corresponds to the conditions in ourexperiment, the coupling between the RF oscillations and gyration isnegligible and the Lorentz force corresponding to the secular motion is

just added to the effective potential force.

The coupling between the RF driving force and gyration is illustratedin figure 3, where we have numerically calculated the maximum energyreached by a test particle as a function of the superimposed magneticfield in a cylindrical magnetron. At 0.1 the tail of the cyclotronresonance peak starts influencing the energy. Additional resonances areobserved at integer fractions 1/2, 1/3, and 1/4 and also at double of thecyclotron frequency.

A two dimensional model of an infinitely long octopole was then usedto study the ion trapping and cooling in the trap. An example of theeffects of magnetic fields on a H particle trajectory in the RF octopole

is shown in figure 4. The calculated energetic and spatial distributionsof O and Hions and are presented in the thesis with a discussion ofsuitable operating conditions.

4.3 energy resolution of the es-mpt

The resolution is mainly limited by the influence of the RF field on theelectron energy. A three dimensional particle simulation was developedto study the spectrometer resolution. The configuration of coils and elec-

trodes accurately represents our experimental setup shown in figure2

.

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Figure 4: Trajectories of the H ion in a RF octopole trap with superimposedmagnetic field Bz = 30 mT (left panel) and without magnetic field(right panel).

color [nm] h [eV] Eelectron [eV]

red 660 1.879 0.418

green 532 2.331 0.870

blue 405 3.062 1.601

Table 1: Overview of the laser wavelengths used in the photodetachment exper-iments. The right column shows energy of electrons produced by pho-todetachment of O with electron affinity 1.4610 eV (Bartmess, 2012).

We have simulated the spectra of electrons produced by the protodetach-ment with red, green, and blue lasers from table 1 under the influence ofthe RF field with parameters /2= 6 MHz, V0 = 10 V. The normalizedretarding spectra are shown in figure 5.

We have also investigated the possible effect of mechanical or electricimperfections of the octopole on the measured spectra. A simulation ofspectra with a 20 % increase of RF amplitude on one of the rods, whichroughly corresponds to displacing the rod by 0.2 mm towards the axis,is slso hown in figure 5. The simulation shows the strong effects of such

perturbation. This means that the mechanical accuracy of the trap andsymmetricity of the RF field are essential for successful operation of theES-MPT apparatus.

4.4 experimental results

ion storage in the magnetic field The possibility of ion stor-age in the trap with the superimposed magnetic field was tested bystoring the O ions. The ion storage time was measured for different

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Figure 5: Influence of the imperfections of the RF fieldsimulated spectra ofelectrons produced by the photodetachment of Oby 660 nm, 532 nm,

and 405 nm lasers. The simulations with ideal octopole field and with20 % higher amplitude on one of the rods are shown in dashed andsolid lines respectively.

Figure 6: Combined measurement of ion loss and electron production. Theoret-ical electron production obtained from the ion decays is indicated bythe dashed line. The cumulative sum of detected electrons is indicated

by the solid line.

magnetic field intensities and it was observed that the storage time is in-dependent on the magnetic field within the range of experimental error

detection of electrons For tests of the electron detection, againthe O ions were used. The electrons produced by photodetachmentwith a 660 nm laser beam were detected using the MCP detector. Underthe same conditions, the ion signal was also measured. The ion countswith and without the laser beam are shown in figure 6. The expected

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Figure 7: Comparison of the measured electron spectra from the O

photode-tachment by lasers with three different wavelengths. The theoreticalpositions of the peaks are indicated by the colored bars.

number of electrons calculated from the ion signal is plotted in figure 6in comparison with the measured electron signal. The slope of the curveis in a very good agreement with the prediction.

measured spectra Finally, the spectra of the photodetached elec-trons produced by the red, green, and blue lasers at operating condi-tions /2 = 6 MHz, V0 = 10 V are compared in figure 7. The figuredemonstrates that the current energy resolution is approximately 20 %.The offset of the peaks in comparison with the theoretical positions iscaused by the interaction of the electrons with the RF field with a pos-sible contribution of the contact potential between the octopole and theelectrostatic filter.

5 M E A S U R E M E N T O F T H E H+ H R AT E C O E F F I C I E N T

This chapter describes the measurement of the reaction rate coefficientof the H+ H associative detachment

H+ H H2 + e . (2)

The results of the experiment and the description of the experimentalsetup are published by Gerlich et al., 2012. Additional measurementsused for the absolute and relative calibration of the measurement arepresented by Roucka et al., 2011; Jusko et al., 2011b.

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Figure 8: Schematic drawing of the AB-22PT apparatus. Components from leftto right: discharge source of H, ion source, ion trap, ion detectionsystem, laser for photodetachment experiments. The dimensions arenot to scale.

5.1 e x pe r im e nta l

Our experimental setup is based on a 22-pole RF ion trap in combinationwith an effusive beam source of atomic hydrogen. The machine is calledAB-22PT, which stands for atomic beam combined with 22-pole trap (Borodiet al., 2009).

The H ions are produced in a storage ion source (Gerlich, 1992) bythe electron bombardment of the the H2 precursor gas and injected intothe 22-pole trap. The ion trap temperature T22PT is variable in the range10 K < T22PT < 300 K. The ions are cooled down close to the trap tem-perature by collisions with the H2 buffer gas.

The H atoms are produced by the dissociation of the H2 in an RFdischarge. A cold effusive beam is then formed by flowing the partiallydissociated hydrogen through a cold nozzle (accommodator). The atomsin the beam are thermalized to the accommodator temperature, whichis in the range 6 K < TACC < 300 K.

5.2 results and discussion

The final results in comparison with previous measurements and the-

ory are plotted in the figure 9. The error-bars represent the standarddeviation of our data points. The systematic error is 45 % due to limitedaccuracy of the hydrogen density calibration.

We have independently measured the absolute value of the thermalrate coefficient in a yet unexplored temperature range. Our results arein a good agreement with theories of Cek et al., 1998 and Sakimoto,1989. In the overlapping temperature range our results agree within thesystematic error with the results of Kreckel et al., 2010. Further measure-ments with a more accurate calibration reaction in a broader tempera-ture range are planned. Further studies of the H+ H AD are planned,

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Figure 9: Measured data (squares) in comparison with measured thermal rate

coefficient by Bruhns et al., 2010 . Round points indicate the flow tubemeasurements at 300 K. Theoretical results of Cek et al., 1998 andSakimoto, 1989 and the Langevin limit are shown for comparison.

Figure 10: Schematic drawing of the FALP experiment

including measurements of the isotopic effects and product energy dis-tributions.

6 E L E C T R O N K I N E T I C S I N T H E A F T E R G L O W P L A S M A

In this chapter, we analyze the methods used to produce the thermalplasma at temperatures T = 40300 K in the two plasmatic afterglowexperiments in our laboratory, which are used to investigate the processof electron-ion recombination at low temperatures.

One of the experiments is the flowing afterglow with Langmuir probe(FALP) experiment, which is schematically shown in figure 10. In theFALP, the plasma is produced by a microwave discharge in a glass tubeupstream from the metallic flow tube. The decaying plasma (afterglow)is then carried by the flowing gas through the flow tube and the electrondensity is measured by a Langmuir probe along the tube. The tube iscooled by a liquid nitrogen bath or by a closed cycle helium refrigerator

in the newer design (Kotrk et al.,2011

a; Kotrk et al.,2011

b).

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Figure 11: Calculated temperature of the carrier gas on axis for various flowvelocities.

The other experiment is the stationary afterglow with cavity ring-down spectrometer (SA-CRDS). There, a pulsed microwave dischargeis ignited directly inside a liquid-nitrogen-cooled glass tube. Thanks tothe higher initial electron concentrations and the smaller diameter ofthe tube, the time scale of the afterglow is much shorter than in theFALP. Therefore, the afterglow can be considered stationary. The evo-lution of concentrations of ions is monitored by the cavity ring-downspectrometer (CRDS) (Macko et al., 2004), which is a highly sensitive ab-

sorption spectrometer capable of determining the absolute densities ofions in specific rotational states.

6.1 c o ol ing of th e c a rr ier ga s

The gas flow in the afterglow experiments is laminar with a negligiblenatural convection. A simple model of the heat transport in the flow-ing gas was constructed and solved using the FEniCS software on a 3Dcylindrical domain. The boundary conditions were determined using anindependent 2D thermal model of the flow tube.

The calculations were motivated by the measurements of the collisionalradiative recombination (CRR) of Ar+ in the FALP experiment. The mea-surement is very sensitive to the temperature due to the strong varia-tion of the CRR reaction coefficient with temperature. The model of gastemperature along the flow tube axis corresponding to the experimentalconditions is shown in figure 11. The points where the gas thermalizesto the wall temperature within less than 10 % indicated in figure 11 werethen used in the data analysis to verify the valid range of measurement.

The same model was also applied to the conditions of the newly builtCryo-FALP apparatus with helium refrigerator, where the flow tube can

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be cooled down to 40 K. At these low temperatures and strong tem-perature gradients, the heat transport associated with expansion of thewarmer gas and compression of the cold gas at the walls becomes non-negligible. Nevertheless, our model provides a reasonable upper esti-mate of the temperature.

Finally, the cooling of gas in the SA-CRDS instrument was analyzedusing our model. Our calculations show that the gas is perfectly ther-malized in the discharge area.

6.2 collisional radiative recombination

The CRR is a multi-step recombination process characterized by cascad-ing of electrons from the free continuum states towards the ground statethrough a sequence of intermediate Rydberg states. The energy of recom-

bination from the collisional transitions transfered to the electron gas isE 0.136 eV per electron recombined in our conditions.

In the conditions of the SA-CRDS experiment, the process is effectivelythree-body recombination. Therefore, we describe the CRR in our anal-ysis using a three body reaction coefficient with a variable factor Acrr

Kcrr =crr

ne= AcrrT

4.5e , (12)

the theoretical value by Stevefelt et al., 1975 is Acrr = 3.8109 K4.5 cm6 s1.

Apart from the CRR, the electrons in the afterglow are destroyed bythe effective binary recombination with a rate coefficient eff and by dif-fusion to the walls with a diffusion time D. The electron concentrationin the bulk plasma is approximately described by the balance equation

dnedt

= Kcrr(Te(ne))n3e effn

2e

ne

D. (13)

The electron temperature as a function of electron concentration is deter-mined by the heat balance between the heating by CRR and cooling byelastic or inelastic collisions with neutrals and ions.

6.3 electron temperature in the afterglow

The evolution of the electron temperature can be written as

dTedt

=2Ecrr/3kB

crr+

Tg Teen

+Ti Te

ei+

Trot Terot

. (14)

where the terms with crr, en, ei, and rot account for the heating byCRR, cooling by elastic collisions with neutrals, cooling by Coulombic

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Figure 12: Measured electron number density decay in comparison with mod-els. The solid red line shows the least squares fit of a model withAcrr and eff as free parameters. The dotted and dashed lines showfits with eff as a free parameter and Acrr fixed at a hypotheticalvalues 1109 K4.5 cm6 s1 and 3.8109 K4.5 cm6 s1 respectively. Fi-nally, the dash-dotted line shows the model for fixed values of effand Acrr as indicated in the legend. In all fits, the initial number ofelectrons, ne, and D are also treated as free parameters.

collisions with ions, and cooling by the rotational excitation of ions. The

energy equipartition times are described in the thesis in detail.In our experimental conditions, the temperature relaxation processes

have time constants typically < 10 s, whereas the decay processes ofrecombination and diffusion have time constants 100 s. Therefore,the time derivative term in equation (14) can be neglected. The electrontemperature is obtained by a numerical solution of equation (14).

6.4 recombination kinetics - experimental results

The equation (13

) was solved with the electron temperature given as afunction of electron concentration and other experimental parameters.The theoretical decay curves were fitted with various parameters to theexperimentally obtained curves. An example of experimentally obtainedelectron density decay is shown in the figure 12. The unconstrainedfit results basically zero value of Acrr in comparison with the theoret-ical value of Stevefelt et al., 1975. Using a hypothetical fixed value ofAcrr = 10

9 K4.5 cm6 s1 results in a fit which is still in a good agree-ment with the data. However, the small value of eff obtained fromthis fit is not consistent with the independent measurements of H +3 re-

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combination by Glosk et al., 2009. The fits which use the fixed valueAcrr = 3.8109 K4.5 cm6 s1 are not able to reproduce the measured data.

7 S U M M A R Y A N D O U T L O O K

The ES-MPT apparatus was designed using numerical simulations whichare described by Roucka et al., 2009; Roucka et al., 2010. First experimentaltests have qualitatively confirmed the validity of our design. The resultsof the initial tests were presented by Jusko et al., 2012a. A publication de-scribing the apparatus and the first results is in preparation (Jusko et al.,2012b). Further plans consist of measuring the electron spectra from theO+ H2 and O+ D2 associative detachment reactionsMeasuring the,yet unknown, spectra from the reaction with D

2.

The temperature dependence of the reaction rate coefficient of theH + H associative detachment reaction was measured using the AB-22PT apparatus. Our measurements providing the value of the reactionrate coefficient in a range of temperatures 10135 K are published by Ger-lich et al., 2012. Details of the calibration measurements and data analysisare described by Roucka et al., 2011; Jusko et al., 2011a. Further experi-ments are planned to reduce the systematic error of our measurementand to study the isotopic effects in the reactions D+ H.

The process of thermalization of the plasma in the low-temperature af-

terglow experiments was investigated using mathematical models. A sim-ple model of cooling of the carrier gas was developed and used to verifythe thermalization in the FALP experiment. The results of the model arepublished by (Kotrk et al., 2011b; Kotrk et al., 2011a).

Another model was developed to calculate the temperature of elec-trons in the afterglow plasma. The model was used for the analysis ofthe results from the SA-CRDS experiment. The conclusion of the analy-sis is that the collisional radiative recombination does not influence themeasurement of the effective binary recombination of H+3 in the experi-ments (Dohnal et al., 2012a; Dohnal et al., 2012b).

The computer models used in this thesis are based on the computeralgorithms for particle in cell simulations at moderate pressures whichwere developed for the masters thesis of the author (Roucka, 2008). Thedescription of the collision model in combination with the particle in cellmodel was published by Roucka and Hrach, 2011.

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B I B L I O G R A P H Y

Bartmess, J. (2012). NIST Chemistry WebBook, NIST Standard Refer-ence Database Number 69. In: ed. by P. Linstrom and W. Mallard.retrieved May 28, 2012. Gaithersburg MD, 20899: National Instituteof Standards and Technology. Chap. Negative Ion Energetics Data.url: http://webbook.nist.gov .

Beamson, G., H. Q. Porter, and D. W. Turner (1980). The collimatingand magnifying properties of a superconducting field photoelectronspectrometer. In: J. Phys. E: Sci. Instrum. 13.1, p. 64. doi: doi:10.1088/0022-3735/13/1/018.

Bieniek, R. and A. Dalgarno (Mar. 1979). Associative detachment incollisions of H and H. In: Astrophys. J. 228, pp. 635639. doi: 10.1086/156889.

Birdsall, C. K. and A. B. Langdon (1991). Plasma Physics via ComputerSimulation. Philadelphia: IOP Publishing.

Borodi, G., A. Luca, and D. Gerlich (2009). Reactions of CO+2 with H, H2and deuterated analogues. In: Int. J. Mass Spectrom. 280.1-3, pp. 218225. doi: 10.1016/j.ijms.2008.09.004 .

Bruhns, H., H. Kreckel, K. A. Miller, X. Urbain, and D. W. Savin (Oct.2010). Absolute energy-resolved measurements of the H + H

H2 + e associative detachment reaction using a merged-beam appa-ratus. In: Phys. Rev. A 82.4, p. 042708. doi: 10.1103/PhysRevA.82.042708.

Cek, M., J. Horcek, and W. Domcke (June 1998). Nuclear dynamicsof the H collision complex beyond the local approximation: asso-ciative detachment and dissociative attachment to rotationally andvibrationally excited molecules. In: J. Phys. B: At. Mol. Opt. Phys. 31,pp. 25712583. doi: 10.1088/0953-4075/31/11/018.

Davis, T. A. (June 2004). Algorithm 832: UMFPACK V4.3anunsymmetric-pattern multifrontal method. In: ACM Trans. Math.Soft. 30.2, pp. 196199. doi: 10.1145/992200.992206.

Dohnal, P., M. Hejduk, J. Varju, P. Rubovic, . Roucka, T. Kotrk, R. Plail,J. Glosk, et al. (2012a). Binary and ternary recombination of para-and ortho-H+3 with electrons; State selective study at 77200 K. In: J.Chem. Phys. 136.24, 244304, p. 244304. doi: 10.1063/1.4730162. url:http://link.aip.org/link/?JCP/136/244304/1 .

Dohnal, P., M. Hejduk, J. Varju, P. Rubovic, . Roucka, T. Kotrk, R. Plail,R. Johnsen, et al. (2012b). Binary recombination of para- and ortho-H+3 with electrons at low temperatures. In: Philos. Trans. R. Soc. Lon-don, Ser. A. in print.

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Gerlich, D., P. Jusko, . Roucka, I. Zymak, R. Plail, and J. Glosk (Apr.

2012). Ion Trap Studies of H + H H2 + e between 10 and 135K. In: Astrophys. J. 749, 22, p. 22. doi: 10.1088/0004-637X/749/1/22 .

Glosk, J., R. Plail, I. Korolov, T. Kotrk, O. Novotn, P. Hlavenka, P.Dohnal, J. Varju, et al. (May 2009). Temperature dependence of bi-nary and ternary recombination of H+3 ions with electrons. In: Phys.Rev. A 79 (5), p. 052707. doi: 10.1103/PhysRevA.79.052707 .

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Jusko, P., D. Roucka . Mulin, R. Plail, and J. Glosk (2011a). Atomic

Beam Calibration for the H + H Experiment. In: WDS11 Proceed-ings of Contributed Papers: Part II - Physics. Prague, Czech Republic:Matfyzpress, pp. 165168.

Jusko, P., . Roucka, D. Mulin, R. Plail, and J. Glosk (2011b). AtomicBeam Calibration for the H + H Experiment. In: WDS Proceedingsof Contributed Papers: Part II - Physics. Prague, Czech Republic: Mat-fyzpress, pp. 158164.

Jusko, P., . Roucka, R. Plail, D. Gerlich, and J. Glosk (2012a). Elec-tron Spectrometer Multipole Trap: First Experimental Results. In:WDS12. (May 2931, 2011). poster presentation. Prague, Czech Re-public.

(2012b). Electron Spectrometer Multipole Trap: First ExperimentalResults. In: Acta Universitatis Carolinae, Mathematica et Physica. inpreparation.

Kotrk, T., P. Dohnal, P. Rubovic, R. Plail, . Roucka, S. Opanasiuk, andJ. Glosk (2011a). Cryo-FALP study of collisional-radiative recombi-nation of Ar+ ions at 40200 K. In: Eur. Phys. J.Appl. Phys. 56.02,p. 24011. doi: 10.1051/epjap/2011110158 .

Kotrk, T., P. Dohnal, . Roucka, P. Jusko, R. Plail, J. Glosk, and R.

Johnsen (Mar. 2011b). Collisional-radiative recombination Ar

+ +e

+

e: Experimental study at 77180 K. In: Phys. Rev. A 83 (3), p. 032720.doi: 10.1103/PhysRevA.83.032720 .

Kreckel, H., H. Bruhns, M. Cek, S. C. O. Glover, K. A. Miller, X. Ur-bain, and D. W. Savin (2010). Experimental Results for H2 Forma-tion from H and H and Implications for First Star Formation. In:Science 329.5987, pp. 6971. doi: 10.1126/science.1187191 .

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Roucka, . and R. Hrach (Nov. 2011). Extending PIC Models to HigherPressures - Enhanced Model of Collisions. In: IEEE Trans. PlasmaSci. 39.11, pp. 3244 3250. doi: 10.1109/TPS.2011.2164789 .

Roucka, ., P. Jusko, I. Zymak, D. Mulin, R. Plail, and J. Glosk ( 2011).Influence of the 22-pole Trap Imperfections on the Interaction ofIons with a Neutral Beam. In: WDS Proceedings of Contributed Papers:Part II - Physics. Prague, Czech Republic: Matfyzpress, pp. 158164.

Roucka, ., A. Podolnk, P. Jusko, T. Kotrk, R. Plail, and J. Glosk (2009).Combination of a 22-pole Trap with an Electron Energy Filter Study of Associative Detachment H + H H2 + e. In: WDS09Proceedings of Contributed Papers: Part II - Physics. Prague, Czech Re-public: Matfyzpress, pp. 121128.

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A L I S T O F P U B L I C A T I O N S

publications in impacted journals

Dohnal, P., M. Hejduk, J. Varju, P. Rubovic, . Roucka, T. Kotrk, R. Plail,J. Glosk, et al. (2012a). Binary and ternary recombination of para-and ortho-H+3 with electrons; State selective study at 77200 K. In:Journal of Chemical Physics 136.24, 244304, p. 244304. doi: 10.1063/1.4730162.

Dohnal, P., M. Hejduk, J. Varju, P. Rubovic, . Roucka, T. Kotrk, R. Plail,R. Johnsen, et al. (2012b). Binary recombination of para- and ortho-H+3 with electrons at low temperatures. In: Philos. Trans. R. Soc. Lon-don, Ser. A. in print.

Gerlich, D., P. Jusko, . Roucka, I. Zymak, R. Plail, and J. Glosk (Apr.2012). Ion Trap Studies of H + H H2 + e between 10 and 135K. In: The Astrophysical Journal 749, 22, p. 22. doi: 10.1088/0004-637X/749/1/22.

Glosk, J., I. Korolov, R. Plail, T. Kotrk, P. Dohnal, O. Novotn, J. Varju,. Roucka, et al. (2009). Binary and ternary recombination of D+3ions with electrons in He-D2 plasma. In: Physical Review A: General

Physics 80.4, 042706, p. 042706. doi: 10.1103/PhysRevA.80.042706 .Glosk, J., R. Plail, T. Kotrk, P. Dohnal, J. Varju, M. Hejduk, I. Korolov, .Roucka, et al. (2010). Binary and ternary recombination of H+3 andD+3 ions with electrons in low temperature plasma. In: MolecularPhysics 108.17, pp. 22532264. doi: 10.1080/00268976.2010.507555 .

Hrach, R., . Roucka, V. Hrachov, and L. Schmiedt (2009). Study ofplasma-solid interaction in electronegative gas mixtures at higherpressures. In: Vacuum 84.1, pp. 9496. doi: 10.1016/j.vacuum.2009.06.008.

Jusko, P., . Roucka, R. Plail, D. Gerlich, and J. Glosk (2012a). Electron

Spectrometer Multipole Trap: First Experimental Results. In: ActaUniversitatis Carolinae, Mathematica et Physica. in preparation.

Kotrk, T., P. Dohnal, I. Korolov, R. Plail, . Roucka, J. Glosk, C. Greene,and V. Kokoouline (2010). Temperature dependence of binary andternary recombination of D+3 ions with electrons. In: Journal of Chem-ical Physics 133.3, 034305, p. 034305. doi: 10.1063/1.3457940.

Kotrk, T., P. Dohnal, P. Rubovic, R. Plail, . Roucka, S. Opanasiuk, andJ. Glosk (2011c). Cryo-FALP study of collisional-radiative recombi-nation of Ar+ ions at 40200 K. In: The European Physical Journal -

Applied Physics 56.02, p. 24011. doi: 10.1051/epjap/2011110158 .

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http://dx.doi.org/10.1063/1.4730162http://dx.doi.org/10.1063/1.4730162http://dx.doi.org/10.1063/1.4730162http://dx.doi.org/10.1088/0004-637X/749/1/22http://dx.doi.org/10.1088/0004-637X/749/1/22http://dx.doi.org/10.1088/0004-637X/749/1/22http://dx.doi.org/10.1103/PhysRevA.80.042706http://dx.doi.org/10.1103/PhysRevA.80.042706http://dx.doi.org/10.1080/00268976.2010.507555http://dx.doi.org/10.1080/00268976.2010.507555http://dx.doi.org/10.1016/j.vacuum.2009.06.008http://dx.doi.org/10.1016/j.vacuum.2009.06.008http://dx.doi.org/10.1016/j.vacuum.2009.06.008http://dx.doi.org/10.1063/1.3457940http://dx.doi.org/10.1051/epjap/2011110158http://dx.doi.org/10.1051/epjap/2011110158http://dx.doi.org/10.1051/epjap/2011110158http://dx.doi.org/10.1063/1.3457940http://dx.doi.org/10.1016/j.vacuum.2009.06.008http://dx.doi.org/10.1016/j.vacuum.2009.06.008http://dx.doi.org/10.1080/00268976.2010.507555http://dx.doi.org/10.1103/PhysRevA.80.042706http://dx.doi.org/10.1088/0004-637X/749/1/22http://dx.doi.org/10.1088/0004-637X/749/1/22http://dx.doi.org/10.1063/1.4730162http://dx.doi.org/10.1063/1.4730162


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Kotrk, T., P. Dohnal, . Roucka, P. Jusko, R. Plail, J. Glosk, and R.Johnsen (Mar. 2011d). Collisional-radiative recombination Ar+ + e +e: Experimental study at 77180 K. In: Physical Review A: GeneralPhysics 83 (3), p. 032720. doi: 10.1103/PhysRevA.83.032720 .

Roucka, and R. Hrach (Nov. 2011). Extending PIC Models to Higher

Pressures - Enhanced Model of Collisions. In: Plasma Science, IEEETransactions on 39.11, pp. 3244 3250. doi: 10.1109/TPS.2011.2164789 .

Zymak, I., P. Jusko, . Roucka, R. Plail, P. Rubovic, D. Gerlich, andJ. Glosk (2011b). Ternary association of H+ ion with H2 at 11 K,experimental study. In: The European Physical Journal Applied Physics56.2, 24010, p. 24010. doi: 10.1051/epjap/2011110172 .

publications in wos registered proceedings

Pekrek, Z., . Roucka, and R. Hrach (2008). 3D particle simulations ofplasma-solid interaction: magnetized plasma and a cylindrical cav-ity. In: Journal of Physics: Conference Series 100.6, p. 062010.

Varju, J., . Roucka, T. Kotrk, R. Plail, and J. Glosk (2010). Applicationof NIR-CRDS for state selective study of recombination of para andortho H+3 ions with electrons in low temperature plasma. In: Journalof Physics: Conference Series 227.1, p. 012026.

publications in conference proceedings

Jusko, P., . Roucka, D. Mulin, R. Plail, and J. Glosk (2011a). AtomicBeam Calibration for the H + H Experiment. In: WDS11 Proceed-ings of Contributed Papers: Part II - Physics. Prague, Czech Republic:Matfyzpress, pp. 165168.

Jusko, P., I. Zymak, D. Mulin, . Roucka, R. Plail, D. Gerlich, and J.Glosk (2012c). Experimental determination of conditions in thetrap: reaction temperature and reactant density. In: XVIIIth Sympo-sium on Atomic, Cluster and Surface Physics 2012 (SASP 2012) Contri-

butions. Ed. by M. Lewerenz and R. Dutuit O. Marquardt. InnsbruckUniversity Press, pp. 200203.

Jusko, P., . Roucka, I. Zymak, R. Plail, D. Gerlich, and J. Glosk (2011b).Combination of an Electron Spectrometer with an Ion Trap: firstresults for H + h and H + H. In: SAPP XVIII, Book of ContributedPapers. Ed. by J. Orszgh, P. Papp, and . Matejck. UK Bratislava,pp. 252256.

Kotrk, T., P. Dohnal, S. Opanasiuk, P. Rubovic, . Roucka, R. Plail, andJ. Glosk (2011a). New Cryo-FALP Experiment to Study CollisionalRadiative Recombination of Ar+ Ions at 40200 K. In: WDS11 Pro-ceedings of Contributed Papers: Part II - Physics. Prague, Czech Repub-lic: Matfyzpress, pp. 136140.

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http://dx.doi.org/10.1103/PhysRevA.83.032720http://dx.doi.org/10.1109/TPS.2011.2164789http://dx.doi.org/10.1109/TPS.2011.2164789http://dx.doi.org/10.1051/epjap/2011110172http://dx.doi.org/10.1051/epjap/2011110172http://dx.doi.org/10.1051/epjap/2011110172http://dx.doi.org/10.1109/TPS.2011.2164789http://dx.doi.org/10.1103/PhysRevA.83.032720


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Kotrk, T., P. Dohnal, R. Plail, . Roucka, and J. Glosk (2011b). Exper-imental Study of Collisional Radiative Recombination of Ar ions atlow temperatures. In: SAPP XVIII, Book of Contributed Papers. Ed. by

J. Orszgh, P. Papp, and . Matejck. UK Bratislava, pp. 161165.Roucka, , A. Podolnk, P. Jusko, T. Kotrk, R. Plail, and J. Glosk (2009a).

Combination of a 22-pole Trap with an Electron Energy Filter Study of Associative Detachment H + H H2 + e. In: WDS09Proceedings of Contributed Papers: Part II - Physics. Prague, Czech Re-public: Matfyzpress, pp. 121128.

(2010b). Study of Capture and Cooling of H Ions in RF Octopolewith superimposed Magnetic Field. In: WDS10 Proceedings of Con-tributed Papers: Part II - Physics. Prague, Czech Republic: Matfyzpress,pp. 105111.

Roucka, , P. Jusko, I. Zymak, D. Mulin, R. Plail, and J. Glosk ( 2011b).Influence of the 22-pole Trap Imperfections on the Interaction of

Ions with a Neutral Beam. In: WDS11 Proceedings of Contributed Pa-pers: Part II - Physics. Prague, Czech Republic: Matfyzpress, pp. 158164.

Roucka, , P. Jusko, I. Zymak, R. Plail, D. Gerlich, and J. Glosk (2011e).Study of Astrophysically Relevant Hydrogen Chemistry: combiningan RF Ion Trap with a Cold Effusive Beam. In: SAPP XVIII, Book ofContributed Papers. Ed. by J. Orszgh, P. Papp, and . Matejck. UKBratislava, pp. 204209.

Roucka, , P. Dohnal, M. Hejduk, J. Varju, P. Rubovic, S. Opanasiuk, R.Plail, and J. Glosk (2012a). Collisional Radiative Recombinationof H+3 Ion in Low Temperature Plasma. In: XVIIIth Symposium on

Atomic, Cluster and Surface Physics 2012 (SASP 2012) Contributions. Ed.by M. Lewerenz and R. Dutuit O. Marquardt. Innsbruck UniversityPress, pp. 259262.

Rubovic, P., T. Kotrk, P. Dohnal, . Roucka, M. Hejduk, S. Opanasiuk, R.Plail, and J. Glosk (2011). Swarm Experiments at 40-100 K, Cryo-FALP. In: WDS11 Proceedings of Contributed Papers: Part II - Physics.Prague, Czech Republic: Matfyzpress, pp. 146151.

Zymak, I., P. Jusko, . Roucka, D. Mulin, R. Plail, and J. Glosk (2011a).

Association of H

+

with H2 at low temperatures. In: WDS11

Pro-ceedings of Contributed Papers: Part II - Physics. Prague, Czech Repub-lic: Matfyzpress, pp. 175179.

presentations at international conferences

Only the contributions presented by the author are listed.

Hrach, R., . Roucka, V. Hrachov, and L. Schmiedt (2008). Study ofplasma-solid interaction in electronegative gas mixtures at higher

pressures. In:12th

Joint Vacuum Conference,10th

European Vacuum

21


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Conference. (Sept. 2226, 2008). poster presentation. Balatonalmadi,Hungary.

Roucka, , A. Podolnk, P. Jusko, T. Kotrk, R. Plail, and J. Glosk (2009b).Combination of a 22-pole Trap with an Electron Energy Filter Study of Associative Detachment H + H H2 + e. In: WE-Heraeus-

Seminar "Anions - from the lab to the stars". (June 711, 2009). posterpresentation. Bad Honnef, Germany.

(2009c). Combination of a 22-pole Trap with an Electron EnergyFilter Study of Associative Detachment H + H H2 + e. In:WDS09. (June 25, 2009). poster presentation. Prague, Czech Repub-lic.

Roucka, and R. Hrach (2009). Computational Study of Plasma-SolidInteraction at Increasing Pressures. In: 21st International Conferenceon Numerical Simulation of Plasmas. (Oct. 610, 2009). poster presenta-tion. Lisbon, Portugal.

Roucka, , P. Jusko, A. Podolnk, T. Kotrk, R. Plail, and J. Glosk (2010a).Study of Associative Detachment Using RF Ion Trap With ElectronSpectrometer. In: 3rd ITS LEIF Winter School: Complex Systems & IonOptical Tools. (Mar. 712, 2010). oral presentation. Pralognan, France.

Roucka, , A. Podolnk, P. Jusko, T. Kotrk, R. Plail, and J. Glosk (2010c).Study of Capture and Cooling of H Ions in RF Octopole with su-perimposed Magnetic Field. In: WDS10, (June 14, 2010). posterpresentation. Prague, Czech Republic.

Roucka, , P. Jusko, I. Zymak, D. Mulin, R. Plail, and J. Glosk (2011a).Influence of the 22-pole Trap Imperfections on the Interaction ofIons with a Neutral Beam. In: WDS11. (May 31June 3, 2011). posterpresentation. Prague, Czech Republic.

Roucka, , A. Podolnk, P. Jusko, T. Kotrk, R. Plail, and J. Glosk (2011c).Interactions of H Anions with Atomic HydrogenIon Trap studyat 10135 K. In: XXVII International Conference on Photonic, Electronicand Atomic Collisions. (July 27Aug. 2, 2011). poster presentation. Belfast,Northern Ireland, UK.

Roucka, , P. Jusko, I. Zymak, R. Plail, D. Gerlich, and J. Glosk (2011d).Study of Astrophysically Relevant Hydrogen Chemistry: combining

an RF Ion Trap with a Cold Effusive Beam. In: SAPP XVIII,18th

Symposium on Application of Plasma Processes. (Mar. 712, 2010). oralpresentation. Vrtna, Slovakia.

Roucka, , P. Dohnal, M. Hejduk, J. Varju, P. Rubovic, S. Opanasiuk, R.Plail, and J. Glosk (2012b). Collisional Radiative Recombinationof H+3 Ion in Low Temperature Plasma. In: XVIII

th Symposium on

Atomic, Cluster and Surface Physics. (July 27Aug. 2, 2011). poster pre-sentation. Alpe dHuez, France.

summary roucka

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