Changes of Petroleum Acid Distribution Characterized by FT-ICR MS in Heavy Acidic Crude Oil after True Boiling Point Distillation

The molecular transformations of carboxylic acids in heavy acidic SL crude before and after true boiling point distillation were examined by ultra-high resolution negative-ion electrospray ionization(ESI) Fourier transform ion cyclotron resonance mass spectrometry(FT-ICR MS). The acid class(heteroatom number), type(z numbers) and carbon number distributions were positively characterized. It was found out that the total acid number(TAN) of SL crude decreased after true boiling point distillation, and the abundance of O2 class in mass spectra was also found to be reduced from 67.6% to 34.5% in SL TBP mixed crude as measured by MS spectra, indicating to a potential carboxylic acid decomposition. However, it was interesting that the carboxylic acids type distribution in both oils was almost the same although their relative abundance in SL TBP mixed crude turned to be much lower, suggesting that various petroleum carboxylic acid types have the similar thermal decomposition reaction behavior. Furthermore, for each O2 type of acids in SL TBP mixed crude, the abundance of carboxylic acids with carbon number higher than 35 was reduced greatly, especially for those with carbon number higher than 60, the mass peaks of which were nearly totally removed, indicating that the large carboxylic acid molecules in heavy fractions decomposed more significantly because of longer heating time during the true boiling point distillation process. As a result, the reduction of TAN may be caused by the thermal decomposition of carboxylic acids especially those with high carbon number, suggesting that quick distillation or much lower pressure is required to avoid the thermal decomposition.

Support vector regression modeling in recursive just-in-time learning framework for adaptive soft sensing of naphtha boiling point in crude distillation unit

Prediction of primary quality variables in real time with adaptation capability for varying process conditions is a critical task in process industries.This article focuses on the development of non-linear adaptive soft sensors for prediction of naphtha initial boiling point(IBP)and end boiling point(EBP)in crude distillation unit.In this work,adaptive inferential sensors with linear and non-linear local models are reported based on recursive just in time learning(JITL)approach.The different types of local models designed are locally weighted regression(LWR),multiple linear regression(MLR),partial least squares regression(PLS)and support vector regression(SVR).In addition to model development,the effect of relevant dataset size on model prediction accuracy and model computation time is also investigated.Results show that the JITL model based on support vector regression with iterative single data algorithm optimization(ISDA)local model(JITL-SVR:ISDA)yielded best prediction accuracy in reasonable computation time.

QSPR Study on the Boiling Points of Some Oxygenand Sulfur-containing Organic Compounds

Structural and thermodynamic parameters of 56 oxygen-containing and 56 sulfur- containing organic compounds were computed at the B3LPY/6-311G＊＊ level using density functional theory （DFT） method. Furthermore,the dependent equations between the experimental data of boiling points （Tb） and theoretical parameters were proposed with SPSS12.0 for windows software,whose correlation coefficients R2 are 0.933 and 0.945. These dependent equations were validated by cross-validation method （q2 are 0.923 and 0.929,respectively）. VIF （variance inflation factors） and t-value methods were also used to verify the significance and self-correlationship of each variable. Results indicate that our dependent equation exhibits good prediction ability,and molecular polarizability （α） is the main factor affecting the Tb of oxygen- and sulfur-containing organic compounds. To our interest,obvious dependence could also be found among the oxygen- and sulfur-containing organic compounds＇ experimental data of boiling points （Tb） with R^2 of 0.857.

Structural Vector Description and Estimation of Normal Boiling Points for 66 Aromatic Hydrocarbons

A molecular vector-type descriptor containing 6 variables is used to describe the structure of aromatic hydrocarbons (AHs) and relate to normal boiling points (bp) of AHs. The col relation coefficient (R) between the estimated bp and experimental bp is 0.9988 and the root mean square error (RMS) is 7.907 degreesC for 66 AHs. The RMS obtained by cross-validation is 9.131 degreesC, which implies the relationship model having good prediction ability.

STUDY ON RULE OF THE BOILING POINTS OF 1-HALOALKANES

There are many reports on the study of boiling point of paraffins, but less work has been done about those of alkylhalides. Recently, J.Correia

A Review on Flow Boiling of the Fluid with Lower Boiling Point in Micro-Channels

With the advancement of micro machining technology,the high-heat-flux removal from miniature electronic devices and components has become an attractive topic.Flow boiling in micro-channels is an optimal form of heat transfer and has been widely employed in high-heat-flux cooling applications.This comprehensively-reviewed article focused on the available recent literatures of experimental investigation regarding the flow boiling heat transfer and unstable behaviors of the fluid with lower boiling point in micro-channels.The thermal-fluid characteristics and potential heat transfer mechanisms of low-boiling-point fluids flow boiling in different narrow passages were summarized and discussed.The literatures regarding the pressure drop and occurrence of the unstable phenomena existing in two-phase flow boiling process were also discussed.The emphasis was given to the heat transfer enhancement methods as well as instability elimination,and various methods such as modification of surface and channel flow geometries were considered.Some future researches in the field of micro-scale flow boiling were suggested.

Layer-by-layer slot-die coated high-efficiency organic solar cells processed using twin boiling point solvents under ambient condition

Layer-by-layer (LbL) strategy has been developed to form bulk heterojunction (BHJ) structure for processing efficient organic solar cells (OSCs). Herein, LbL slot-die coating with twin boiling point solvents (TBPS) strategy was developed to fabricate highly efficient OSCs, which matches with large-scale, high throughput roll-to-roll (R2R) industrialized mass process. The TBPS strategy could produce high-quality thin film without any additive, leading to the optimized vertical phase separation with interpenetrating nanostructures, as well as the enhanced charge transport and extraction. Thus, the power conversion efficiency up to 14.42% was achieved for [(2,6-(4,8-bis(5-(2-ethylhexyl-3-fluoro)thiophen-2-yl)-benzo [1,2-b:4,5-b′]dithiophene))-alt-(5,5-(1′,3′-di-2-thienyl-5′,7′-bis(2-ethylhexyl)benzo[1′,2′-c:4′,5′-c′]dithiophene-4,8-dione)]:2,2′-((2Z,2′Z)-((12,13-bis(2-ethylhexyl)-3,9-diundecyl-12,13-dihydro-[1,2,5]thiadiazolo[3,4-e]thieno[2″,3″:4″,5″]thieno[2′,3′:4,5]pyrrolo[3,2-g]thieno[2′,3′:4,5]thieno[3,2-b]indole-2,10-diyl)bis(methanylylidene)) bis(5,6-difluoro-3-oxo-2,3-dihydro-1H-indene-2,1-diylidene))dimalononitrile (PM6:Y6) OSCs fabricated via sequentially LbL slot-die coating using the TBPS strategy under ambient condition. The research provides a potential route for industrialized production of high-efficiency and large-area OSC devices.

Vacuum press drying studies on two fast-growing Indian wood species

Two fast-growing Indian species, Melia composita Benth. and Eucalyptus tereticornis Sm., which have different sets of physical properties, were dried together in a vacuum press dryer(VPD) under two drying conditions,i.e., above boiling point(ABP) and below boiling point(BBP). The ABP and BBP conditions were maintained by keeping the temperature constant at 75 ℃ and maintaining two pressure levels: 300 mm of Hg(ABP) and 450 mm of Hg(BBP). In order to understand pressure conditions at the core during vacuum drying, a cylindrical brass pipe was inserted in both wood cores and attached with pressure gauges placed outside of the VPD. The results indicate that the Melia wood core attained equilibrium pressure immediately with the pressure of VPD, while Eucalyptus attained it very slowly, reaching equilibrium at later stages of drying when cracks and checks advanced to the core.The drying rate was higher for Melia than Eucalyptus under both drying conditions. The drying rate of Melia(ABP) was higher than Melia(BBP), however, the drying rate for Eucalyptus(ABP) was not significantly different from the BBP drying rate.