Gas Flow in the Capillary of the Atmosphere-to-Vacuum Interface of Mass Spectrometers

Skoblin, M. G.; Chudinov, A. V.; Soulimenkov, Ilia V.; Brusov, V. S.; Kozlovskiy, V. I.

doi:10.1007/s13361-017-1743-7

Cited by 13 publications

(16 citation statements)

References 18 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…This is an idealization, since even for no electric heating, a heat flux into the gas is expected. For a well isolated capillary, even the wall friction should be considered, leading to a non-constant flow along the capillary length (see [21] and Supp. Mat.…”

Section: Gas Flow In a Heated Capillarymentioning

confidence: 99%

See 1 more Smart Citation

Gas Flow and Ion Transfer in Heated ESI Capillary Interfaces

Bernier

Pinfold

Pauly

et al. 2018

J. Am. Soc. Mass Spectrom.

View full text Add to dashboard Cite

Transfer capillaries are the preferred means to transport ions, generated by electrospray ionization, from ambient conditions to vacuum. During the transfer of ions through the narrow, long tubes into vacuum, substantial losses are typical. However, recently it was demonstrated that these losses can be avoided altogether. To understand the experimental observation and provide a general model for the ion transport, here, we investigate the ion transport through capillaries by numerical simulation of interacting ions. The simulation encompasses all relevant factors, such as space charge, diffusion, gas flow, and heating. Special attention is paid to the influence of the gas flow on the transmission and especially the change imposed by heating. The gas flow is modeled by a one-dimensional gas dynamics description. A large number of ions are treated as point particles in this gas flow. This allows to investigate the influence of the capillary heating on the gas flow and by this on the ion transport. The results are compared with experimental findings. Graphical Abstract ᅟ.

show abstract

Section: Gas Flow In a Heated Capillarymentioning

confidence: 99%

“…The effects of the heating on the gas flow are also investigated in [19]. Two recent articles, [20] and [21], present comparisons between flow simulations and experimental data. Remarkably, and despite comparable dimensions, the first article finds a turbulent flow, while the second one finds agreement with a laminar flow.…”

Section: Introductionmentioning

confidence: 99%

Gas Flow and Ion Transfer in Heated ESI Capillary Interfaces

Bernier

Pinfold

Pauly

et al. 2018

J. Am. Soc. Mass Spectrom.

View full text Add to dashboard Cite

show abstract

“…Changes in the gas velocity leads to the variation of t , and changes in pressure leads to the variation of k d 0 in eq . But previously performed computer simulation ,, of the gas dynamics in the inlet capillary and the fact that logarithm is slow changing function allows to neglect this effect.…”

Section: Simulation and Experimentsmentioning

confidence: 99%

Analytical Description of the H/D Exchange Kinetic of Macromolecule

et al. 2018

View full text Add to dashboard Cite

We present the accurate analytical solution obtained for the system of rate equations describing the isotope exchange process for molecules containing an arbitrary number of equivalent labile atoms. The exact solution was obtained using Mathematica 7.0 software, and this solution has the form of the time-dependent Gaussian distribution. For the case when forward exchange considerably overlaps the back exchange, it is possible to estimate the activation energy of the reaction by obtaining a temperature dependence of the reaction degree. Using a previously developed approach for performing H/D exchange directly in the ESI source, we have estimated the activation energies for ions with different functional groups and they were found to be in a range 0.04-0.3 eV. Since the value of the activation energy depends on the type of functional group, the developed approach can have potential analytical applications for determining types of functional groups in complex mixtures, such as petroleum, humic substances, bio-oil, and so on.

show abstract

“…It should be specially noted that in our simulations we employed a laminar ideal gas flow model in which heat transfer was taken into account. 6 In the system, the motion of an ion of mass M and charge q is determined by the resultant of the gas entraining force F drag , Coulomb repulsion force F C , and electrical forces caused by both stationary E DC and time-dependent E RF (t) electrical fields formed by voltages applied to the electrodes…”

Section: Theorymentioning

confidence: 99%

Numerical simulation of ion transport in an atmosphere-to-vacuum interface taking into account gas dynamics and space charge

Skoblin

Chudinov

Сулименков

et al. 2017

Eur J Mass Spectrom (Chichester)

View full text Add to dashboard Cite

A two-step approach was developed for the study of ion transport in an atmospheric pressure interface. In the first step, the flow in the interface was numerically simulated using the standard gas dynamic package ANSYS CFX 15.0. In the second step, the calculated fields of pressure, temperature, and velocity were imported into a custom-built software application for simulation of ion motion under the influence of both gas dynamic and electrostatic forces. To account for space charge effects in axially symmetric interfaces an analytical expression was used for the Coulomb force. For all other types of interfaces, an iterative approach for the Coulomb force computation was developed. The simulations show that the influence of the space charge is the main contributor to the loss of ion current in the heated capillary. In addition, the maximum ion current which can be transmitted through the heated capillary (0.58 mm inner diameter and 58.5 mm length) is limited to ∼6 nA for ions with m/z = 508 Da and with reduced ion mobility 1.05 cmVs. This limit remains practically constant and independent of the ion current at the entrance of the capillary. For a particular ion type, this limit depends on its m/z ratio and ion mobility.

show abstract

Gas Flow in the Capillary of the Atmosphere-to-Vacuum Interface of Mass Spectrometers

Cited by 13 publications

References 18 publications

Gas Flow and Ion Transfer in Heated ESI Capillary Interfaces

Gas Flow and Ion Transfer in Heated ESI Capillary Interfaces

Analytical Description of the H/D Exchange Kinetic of Macromolecule

Numerical simulation of ion transport in an atmosphere-to-vacuum interface taking into account gas dynamics and space charge

Contact Info

Product

Resources

About