Experimental and Computational Study on the Solubility of Argon in Propan-2-ol at High Temperatures

Abstract

2 Kafedra analitičeskoj i fizičeskoj himii, himičeskij fakul'tet, Čelâbinskij gosudarstvennyj universitet, ulica Brat'ev Kaširinyh 129, 454001 Chelyabinsk, An experimental and computational study on the solubility of argon in propan-2-ol at high temperatures and pressures was performed. The following values of the Henry's law constant for the solution of argon in propan-2-ol were obtained: 58 « 3 MPa at 480 K, 99 « 3 MPa at 420 K, and 114 « 2 MPa at 360 K.Keywords: Argon solubility | Propan-2-ol | Henry's law constant Studying phase equilibria and constructing phase diagrams is not only an important fundamental problem, but also an essential task for chemical engineering and technology. 1,2However, even for simple binary systems the process of collecting and systematising that type of thermophysical data is far from completion. Usually, both experimental and computational approaches are used to obtain the necessary information about the phase behavior of systems under consideration.Noble gases have found wide application in medicine, environmental chemistry, and lighting. The solubility and phase behavior of noble gases in water and organic solvents was studied rather widely, 3 however, for many systems the available information is not complete. The Henry's law constant for the solution of argon in propan-2-ol was previously reported only in a limited temperature range. 47 This communication describes an experimental and computational study on the solubility of argon in propan-2-ol at high temperatures.The experimental setup for the present gas solubility measurements 8 is the same as employed in earlier studies. The following substances were used: argon (CAS number 7440-59-7) supplied by Air Liquide in a gas tank under a pressure of 30 MPa with a volume fraction of 99.9999% and propan-2-ol (CAS number 67-63-0) supplied by Honeywell Riedelde Haën with a purity of >99.9%. The measuring cell was filled with argon and heated to about 20 K above the desired measuring temperature, and then the desired amount of propan-2-ol was added into it. When the mixture achieved a homogeneous state, the cell was slowly cooled down with the aim to reach the saturated liquid state. 9 The experiments were carried out at the temperatures 360, 420, and 480 K. The density of argon and propan-2-ol as well as the saturated vapor pressure of pure propan-2-ol at these temperatures were calculated with equations of state. 10,11 The experimental raw data together with the values used in the processing of them are presented in the Supporting Information. The resulting dependence of the phase equilibrium pressure on the mole fraction of argon in liquid propan-2-ol at 360, 420, and 480 K is depicted in Figure 1.As can be seen, the isotherms may be well approximated by straight lines. The slopes of these lines calculated with the least-squares technique were used to estimate the Henry's law constant at these temperatures; the estimated values together with their uncertainties are listed in Table 1.Several approaches have been proposed in the l...

Henry’s Law Constant of Noble Gases in Water, Methanol, Ethanol, and Isopropanol by Experiment and Molecular Simulation

“…Gas solubility measurements were conducted with an apparatus that was initially described by Windmann et al and was subsequently employed by our group to study various mixtures. ,, A detailed description of the measuring procedure was presented in these publications so that only its basic principles are outlined here. The synthetic method was used, which means that the masses of the pure components loaded into the measuring cell were precisely determined, leading to the mole fraction of the binary mixture.…”

“…To predict the Henry’s law constant by molecular simulation, suitable molecular force field models have to be employed. Molecular models from Abascal et al, Schnabel et al , and Nikolaychuk et al were used for the solvents water, methanol, ethanol, and propan-2-ol, respectively. Furthermore, the force field parameters of these molecular models are given in the Supporting Information.…”

“…Typical input files from the present simulations using the tool ms 2 are given in the Supporting Information and further details on the simulation procedure were given by Köster et al . and Nikolaychuk et al…”

“…he preise knowledge of phse equilirium ehvior is essentil for the design of numerous hemil engineering pplitionsD suh s distilltionD pervportionD E nd desorptionF 1,2 ispeilly phse equilirium dt of mixtures re ruil for the industry nd the suessful implementtion of vrious reserh projetsD 3,4 ut re often not ville for the relevnt systemsF gonsequentlyD further investigtion of these properties is neessry to inrese the opertionl rnge of existing pplitions s well s for the development of innovtive produts nd proessesF 5 sn this wyD resoures n e svedD supporting sustinle tretE ment of the environmentF sn this ontextD growing interest in the utiliztion of nole gses in tehnil pplitions n e oserved euse of their hemil inertnessD ut lso due to their unique physil properties tht llow for their usge in eletronis nd espeilly in the (eld of lightingF 6 woreoverD in onjuntion with nonEtoxiityD these hrteristis led to n inresing interest for the use of nole gses in mediine nd phrmeutisF 7 por mny pplitionsD the soluility of nole gses in liquidsD whih n e desried y mens of renry9s lwD 8 is of prtiulr interestF 9 roweverD gs soluility dt for relevnt solvents hve only een reported for limited temperture rngeF sn preeding pulitions of our groupD 10,11 renry9s lw onstnt dt for the solutes helium @reA nd rgon @erA in propnEPEol @PEryrA were determined over temperture rnge from PSR to RVP u y experiment nd moleulr simultionF hese experiments were ontinued in the present workD onsidering neon @xeAD krypton @urA nd xenon @eA in…”

“…In preceding publications of our group, , Henry’s law constant data for the solutes helium (He) and argon (Ar) in propan-2-ol (2-PrOH) were determined over a temperature range from 254 to 482 K by experiment and molecular simulation. These experiments were continued in the present work, considering neon (Ne), krypton (Kr) and xenon (Xe) in propan-2-ol.…”