Partitioning between polyurethane foam and the gas phase: data compilation, uncertainty estimation and implications for air sampling

2021 ◽  
Author(s):  
Yuening Li ◽  
Frank Wania
Keyword(s):  
Gas Phase ◽  
Polyurethane Foam ◽  
Partition Coefficients ◽  
Sampling Rate ◽  
Air Sampling ◽  
Uncertainty Estimation ◽  
Passive Sampler ◽  
Data Compilation ◽  
Sampling Volume ◽  
Phase Data

The uncertainty of the partition coefficients between sorbent and gas phase propagates to sampling rate, effective sampling volume and ultimately to the air concentrations derived from a passive sampler operating in the curvi-linear uptake regime.

Exploring chemistry features of favipiravir in octanol/water solutions

2021 ◽  
pp. 1-12
Author(s):  
Halimeh Rajabzadeh ◽  
Ayla Sharafat ◽  
Maryam Abbasi ◽  
Maryam Eslami Gharaati ◽  
Iraj Alipourfard
Keyword(s):  
Density Functional Theory ◽  
Gas Phase ◽  
Partition Coefficients ◽  
Density Functional ◽  
Water Solution ◽  
Peptide Group ◽  
Functional Theory ◽  
Water Solutions ◽  
Group Rotations ◽  
Heterocyclic Structure

Favipiravir (Fav) has become a well-known drug for medication of patients by appearance of COVID-19. Heterocyclic structure and connected peptide group could make changes for Fav yielding different features from those required features. Therefore, it is indeed a challenging task to prepare a Fav compound with specific features of desired function. In this work, existence of eight Fav structures by tautomeric formations and peptide group rotations were obtained using density functional theory (DFT) optimization calculations. Gas phase, octanol solution, and water solution were employed to show impact of solution on features of Fav besides obtaining partition coefficients (LogP) for Fav compounds. Significant impacts of solutions were seen on features of Fav with the obtained LogP order: Fav-7 >  Fav-8 >  Fav-4 >  Fav-3 >  Fav-2 >  Fav-5 >  Fav-1 >  Fav-6. As a consequence, internal changes yielded significant impacts on features of Fav affirming its carful medication of COVID-19 patients.

Polyurethane foam based biofilter media for toluene removal

2001 ◽  
Vol 43 (11) ◽  
pp. 35-42 ◽  
Author(s):  
W. M. Moe ◽  
R. L. Irvine
Keyword(s):  
Gas Phase ◽  
Polyurethane Foam ◽  
Solid Support ◽  
High Porosity ◽  
Residence Times ◽  
Nutrient Limitations ◽  
Support Medium ◽  
Volatile Organic ◽  
Chemical Studies ◽  
Physical And Chemical

Polyurethane foam medium was manufactured and analyzed to determine its suitability as a solid support medium for use in gas-phase biofilters. Physical and chemical studies were conducted to determine the medium's characteristics. The medium's ability to support an active biofilm capable of degrading volatile organic compounds was assessed using a laboratory scale biofilter fed a model waste stream containing toluene for more than 250 days with empty bed residence times (EBRTs) ranging from two to four minutes. Results are presented that show how a polyurethane foam medium with high porosity, suitable pore size, low density, and an ability to sorb water was able to remove over 99% of the influent toluene when fed at a concentration of 200 ppmv. An operating strategy is described which effectively prevented two problems common to conventionally operated biofilter systems: nutrient limitations and biosolid accumulation.

The vibrational force field of diazirine from gas phase data and from ab initio calculations

1994 ◽  
Vol 320 ◽  
pp. 107-123 ◽  
Author(s):  
Brenda P. Winnewisser ◽  
Alberto Gambi ◽  
Manfred Winnewisser
Keyword(s):  
Force Field ◽  
Ab Initio Calculations ◽  
Ab Initio ◽  
Gas Phase ◽  
Phase Data

scholarly journals 2.3.4 Extraterrestrial Particles in the Stratosphere

1976 ◽  
Vol 31 ◽  
pp. 279-283
Author(s):  
D.E. Brownlee ◽  
D.A. Tomandl ◽  
P.W. Hodge
Keyword(s):  
Silicone Oil ◽  
Thick Films ◽  
Air Sampling ◽  
High Volume ◽  
Ambient Air ◽  
Sampling Time ◽  
Sampling Techniques ◽  
The Past ◽  
Sampling Volume ◽  
Balloon Experiments

Over the past several years we have collected 2µm to 30µm particles from the stratosphere using high volume air sampling techniques. In 1970 and 1971 we flew balloon experiments to 34 km, sampling particles from 1.1 × 104 m3 of ambient air. Beginning in March 1974 we have flown 100 hours of sampling time on a NASA U-2 aircraft yielding a sampling volume of 9.3 × 104 m3. In both programs particles are collected by inertial deposition from a 200 ms−1 airstream on to clean surfaces coated with thick films of 500,000 centistokes silicone oil.

scholarly journals Correlation and Prediction of Partition Coefficients From the Gas Phase and from Water to Alkan-1-ols

2008 ◽  
Vol 47 (11) ◽  
pp. 3990-3995 ◽  
Author(s):  
Michael H. Abraham ◽  
Asadollah Nasezadeh ◽  
William E. Acree
Keyword(s):  
Gas Phase ◽  
Partition Coefficients

scholarly journals Identification of ion pairs in solution by IR spectroscopy: crucial contributions of gas phase data and simulations

2019 ◽  
Vol 21 (24) ◽  
pp. 12798-12805 ◽  
Author(s):  
Sana Habka ◽  
Thibaut Very ◽  
Jeremy Donon ◽  
Vanesa Vaquero-Vara ◽  
Benjamin Tardivel ◽  
...  
Keyword(s):  
Ir Spectroscopy ◽  
Gas Phase ◽  
Ion Pairs ◽  
Phase Data

Ion pairs between sodium and acetate are evidenced by IR spectroscopy in solution with the help of gas phase data and simulations.

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