Search results for "muurahaishappo"
showing 5 items of 5 documents
Dimers of the Higher-Energy Conformer of Formic Acid: Experimental Observation
2012
We report on the first experimental observation of formic acid dimers composed of two molecules of the higher-energy cis conformer. The cis–cis formic acid dimers are prepared in an argon matrix by selective vibrational excitation of the ground state trans conformer (deuterated form HCOOD) combined with thermal annealing of the matrix at about 30 K. Five cis–cis formic acid dimers are predicted by ab initio calculations (interaction energies from −16.9 to −27.2 kJ molˉ¹), and these structures are used for the assignment of the experimental spectra. Selective vibrational excitation of the obtained cis–cis dimers leads to the formation of several trans–cis dimers, which supports the proposed …
Ab initio molecular dynamics study of overtone excitations in formic acid and its water complex
2018
In this article, we present results from ab initio molecular dynamics simulation of overtone excitation in formic acid monomer and its water complex in the gas phase. For the monomer, a conformation change is observed employing both OH and CH vibrational excitations, which supports experimental findings. In the formic acid–water complex, interconversion also takes place, but it proceeds via hydrogen exchange rather than via intramolecular reaction. Simulations raise a question on effect of quantum and matrix effects to the results. Also, a brief test of different computation methods was done on the system. peerReviewed
Efficiency of acetic acid and formic acid as a catalyst in catalytical and mechanocatalytical pretreatment of barley straw
2016
In this study, the potential of organic acids (formic acid, acetic acid) in a catalytical and mechanocatalytic conversion of lignocellulosic barley straw to valuable sugars is explored using sulfuric acid as a reference. Acid-catalyzed hydrolysis has been carried out with acid-impregnated samples as well as unmodified barley straw. In the mechanocatalytical approach, pretreatment consists of impregnation with the acid catalyst and mechanical treatment by ball milling following chemical hydrolysis. Straw samples and residues were analyzed by Fourier transform infrared spectrometry (FT-IR) whereas hydrolysate analysis was based on total reducing sugar (TRS) determination following the DNS met…
Selective hemicellulose hydrolysis of Scots pine sawdust
2019
The depletion of fossil resources is driving forward the search for new and alternative renewable feedstocks in the production of renewable chemicals, which could replace the petroleum-based ones. One such feedstock is pine (Pinus sylvestris) sawdust, which is generated enormous amounts in Finnish sawmills yearly. However, prior to the utilization in high-value applications, it needs to be fractionated into its constituents. In this work, the objective was to produce monomeric hemicellulose sugars from pine sawdust without degrading cellulose or lignin simultaneously. The influence of the reaction temperature and time, as well as acid type and concentration, was studied. Based on the result…