Fortran Programs were prepared for indexing X-ray powder patterns. These programs can also give lattice constants and possible space groups. The algorithm is as follows. Assuming a diffraction group, possible reflection indices were selected by the extinction rule, and were compared with the peaks of the powder pattern. If more than a definit number of peaks have been assigned to their reflection indices, the indexing is considered to be successful for the diffraction group. Similar procedures were repeated for other diffraction groups. Because it is not necessary for every peak to be corresponded to the indices, these programs can be used in case some of the peaks were missed and/or extraneous peaks, such as those from impurities, were included. In Fig. 1 and Fig. 2 were shown the flow charts of these programs.
There were four programs, viz. programs for the cubic system, for the hexagonal and the trigonal systems, for the tetragonal system, and for the orthorhombic system. The numbers of the Fortran statements were 494 for the cubic system, 774 for the hexagonal and the trigonal systems, 814 for the tetragonal system, and 821 for the orthorhombic system. The total memory sizes were about 43 kilo-bytes, 66 kilo-bytes, 78 kilo-bytes, and 168 kilo-bytes respectively, on the FACOM M200 computer in Data Processing Center, Kyoto University.
The diffraction patterns of the powder of sodium chloride (space group Fm 3 m, diffraction group F*3*-1), α-alumina(R3c, R*C-1), rutile (P4₂/mnm, P4/*N-*1), barium carbonate (Pmcn, PNA*-1), and forsterite (Pbnm, PNA*-1) were processed. In Table 3 and Table 5 are given examples of the input data and the results with the running time on the FACOM M200 computer. In Table 4, the output of the Case 1 in Table 3 is presented, where it is indicated that the peaks of 1.1.3., 3.3.3./1.1.5., and 1.3.5. were missed and the peak of 2θ =95.00 was extraneous. The results show that these programs were practical.

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The hyrolysis of silica gels treated with C₁-C₃ alcohols and the pyrolysis of the corrresponding alcohols in gaseous phase or over silica gels have been investigated from the analysis of their products with a quadrupole mass spectrometer. The pyrolysis of the surface-treated silica gels has taken place in the following three temperature ranges, (i) 30-200°C, (ii) 250-500°C and (iii) 350-550°C. In the pyrolysis of silica gel treated with methanol, the temperature ranges of (ii) and (iii) have shifted to higher temperature ranges, (ii) 250-650°C and (iii) 550-750°C, respectively. The analysis of mass spectra of the vapors evolved in the first temperature range has shown that the vapors evolved are originated from physically sorbed water or alcohol. The water vapor has been found to evolve even up to 800°C and to be due to the dehydration of residual surface silanols. The vapor evolved in the temperature range of (ii) comes mainly from the alcohol used. This may have been caused by the hydrolysis of the surface groups due to water produced in the condensation of surface silanols. The phyrolysis of the surface-treated silicagels in the temperature range of (iii) takes place at appreciably lower temperatures than those of pyrolysis of alcohol in gaseous phase or over silica gel as a catalyst. The main product of pyrolysis of silica gel treated with methanol is CO, whilst the main products of silica gels treated with C₂-C₃ alcohols are olefins corresponding to the alcohols used. These products differ from those produced in the pyrolysis of each alcohol in gaseous phase or over silica gel. Accordingly it is recognized that alcohols are not chemisorbed on silica gel, but they react with surface hydroxyl groups. It has also been found that the silica gel promotes the selective dehydration by other alcohols than methanol.

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The standard free energy change (G) for the adsorption of 22 aliphatic monofunctional compounds on CAL activated carbon from aqueous solution at 25°C was given by the equation:
G=-779N-γ₀ (1)
where N represents the carbon number of adsorbate and γ₀ represents the characteristic value of the functional group. The value of G was defined as the adsorbability index for each compound. In order to express the adsorption isotherm in terms of G, the relationship between G and the Freundlich's constants k and n were examined. The value of k was related to G as follows:
logk=β^*G+γ^* (2)
where β^* and γ^* are the characteristic values for activated carbons. Adsorption isotherms of the 22 aliphatic monofunctional compounds on CAL activated carbon were written by the equation:
logX=β^*G+γ^*+1/nlogC (3)
where X is the amount of adsorption and C is the equilibrium concentration. In order to examine whether this relation is applicable to the other activated carbons with different adsorption capacities, the adsorption experiments were carried out for 20 different activated carbons and 7 aliphatic monofunctional compounds. The results showed that the equation (3) was applicable to all the carbons by modifying 1/n into 0.47, the average of the 20 different carbons.

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Direct vapor-phase methylation of pyridine with methanol has been studied with various supported nickel oxide, catalysts. A nickel substituted Y type zeolite (NiY) catalyst was found to have the highest catalytic activity. The catalytic activity of the NiY catalyst appeared at 250°C, and reached a maximum at 350°C. At 350°C, we obtained 78% in the conversion of pyridine, and 77% and 23% in the selectivities to alpha-picoline and to 2, 6-lutidine, respectively. The selectivity to 2, 6-lutidine was found to increase with the increase of reaction temperature and methanol pressure and with the decrease of the flow rate of carrier gases.
It was also found that the methylation of α-picoline, β-picoline, and γ-picoline with methanol, ethylation of pyridine and picolines with ethanol, and methylation of 2, 4-lutidine with methanol took place over the NiY catalyst and that high yields were obtained for the formation of α-alkylated derivatives.

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Gas chromatographic study was carried out to compare with the interaction between the solutes and the nematic liquid crystals such as MBBA, EBBA, PBBA and BBBA.
The activity coefficients of mole fraction in infinite dilution of solutes was computed from gas chromatographic data. Comparing the results of differential scanning calorimetry and polarized microscope for the same liquid crystal, it was found that the nematic-isotropic transition point of the liquid crystal was obtainable from the temperature dependence of the activity coefficient of the solute.
The partial molar enthalpy and the partial molar entropy of the solution were obtained from gas chromatographic data. Comparing these two values of normal alkanes which were measured in nematic phase and isotropic phase, it was found that the entropies obtained in MBBA and BBBA were almost constant but the enthalpies were changed remarkably. It was also found that the entropies obtained in EBBA and PBBA were changed increasingly but the enthalpies were kept constant.
Comparing the values of γn^∞/γi^∞ obtained from gas chromatographic data with the theoretical values which were predicted by modified HJL theory, it was found that the HJL treatment is in reasonable agreement with the values from the experiments in cases of EBBA and PBBA, but not in good agreement in cases of MBBA and BBBA.

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Nitridings of 60 Ti-40 V and 80 Ti-20 V (wt%) powder in N2 (1 atm) atmosphere were carried out at 700-1390°C and the nitriding processes were investigated by a gravimetric method, X-ray diffractometry, X-ray microprobe analysis and microscopic observation. The results obtained were summarized as follows.
( 1 ) In the nitridings of 60 Ti-40 V and 80 Ti-20 V powder specimens (grain size is nearly 80 mum), (Ti, V) N single phases were obtained at 1300°C and at 1390°C, respectively.
( 2 ) Ti-rich nitride and V-rich alloy were observed at the initial nitriding stage. But the both phases reacted to form a (Ti, V)N single phase at high temperature as the nitriding proceeded further.
( 3 ) The grain size of Ti-rich nitride were larger in high Ti alloy than in low Ti alloy, so that a (Ti, V)N single phase was formed easily in low Ti alloy.
( 4 ) The rate of nitriding followed the parabolic, law at the initial stage. 60 Ti-40 V alloy was nitrided more rapidly than 80 Ti-20 V.

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Iron, aluminium and titanium in the shells of Ruditapes philippinarum (Adams and Reeve), collected at 7 different points of seashores in Nagasaki Prefecture (136 samples), were determined by photometric analysis in order to study the regional difference of the trace element contents. The mutual relations of the amounts of elements in shells and the concentration factor of each element from the sea water were also discussed.
The contents of the elements were found as follows: iron; 17-230ppm, aluminium; 20-230ppm, and titanium; 2.0-12ppm (calcium; 36.5-38.5%). The variation of the value of contents among the shells sampled in different localities was not larger than that of the shell taken at a same location (Table 3). Thus there was no marked regional difference. The dependence of the trace element contents on the size of a shell was hardly observed. The contents of iron, aluminium and titanium in the shells collected at 2 points around Omura Bay were generaly lower than those sampled at 2 points around Ariake Sea. Plots of the content of aluminium or titanium against that of iron gave a semi-linear relation (Figs. 4-6). This finding suggests that these elements show similar behavior in the process of shell formation. The concentration factors of calcium, iron, aluminium and titanium from sea water were 940, 7700, 8600 and 5900, respectively. The results show that the trace elements are more concentrated from sea water than calcium, the main element.

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In our previous work, it was shown that chlorinated aromatic hydrocarbons were selectively adsorbed in the liquid crystal column when DC electric field was applied to it. The object of this report is to explore the factors governing the adsorption. First, the correlation between adsorbed amounts of various compounds and field strength was examined by using cholesteryl palmitate and 4, 4′-azoxydianisole as stationary phases. Differences are noted in the correlation between the field strength and the amount adsorbed on both stationary phases.
( 1 ) The amount adsorbed on 4, 4′-azoxydianisole was much larger than that on cholesteryl palmitate.
( 2 ) The adsorption on cholesteryl palmitate took plcse in the range of DC applied potential over 150 V, but on 4, 4′-azoxydianisole a linear relationship between the field strength and the adsorbed amount was established even from 0 V DC.
These differences were discussed from the view points ( 1 ) the effect of electric field on retention time and HETP, and ( 2 ) the temperature effect on adsorbed amount. Consequently, it was presumed that the liquid crystal should be or be changed to nematic mesophase by electric field, and also that the dielectric constant of adsorbed compound has a close relationship with this phenomenon. The equation for calculating the dielectric constant was derived. The calculated values of some compounds were in good agreement with those found in the literature.

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Extraction behavior of vanadium (IV) from aqueous oxalic acid solution with trioctylamine (TOA) in benzene was investigated to determine the composition of a complex involved in the extraction. The stoichiometry of the complex was determined by either the mole ratio method, the continuous variation method and the slope ratio method. Mole ratios of [Oxalate/V(IV)], [TOA/V(IV)] and [Oxalate/TOA] in the organic phase were found to be 2.0, 2.0 and 1.0, respectively, at a constant mole ratio 2.3 for [Oxalate/V(IV)] in the aqueous phase. The effect of hydrogen ion concentration on the distribution ratio (D) of vanadium (IV) was also examined. A slope of the plots of log D vs. pH of the aqueous phase was about -2.0 at the equilibrium. These results suggest that the oxalato-vanadium (IV) species is associated with two molecules of R₃NH⁺. With respect to the effect of TOA concentration, the plots of log D vs. log[R₃N]_(o) yield a slope of about 2.0. Based on these observations we come to a conclusion that the extracted vanadium (IV) species in the organic phase predominantry consists of (R₃NH)₂VO(C₂O₄)₂.

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In order to obtain information on the dyeing mechanism of polyester fiber with disperse azo dyes, interactions between the polyester models and disperse azo dyes in carbon tetrachloride have been studied by visible spectroscopy. Methyl benzoate, diethyl terephthalate, and ethylene dibenzoate were used as the polyester models, and the following disperse azo dyes were employed : Z - X - N =N - N(C₂H₅)₂ (X, Y=H, Z=H, Cl, Br, NO₂, COOCH₃, CN ; X=Cl, Y=NO₂, Z=H ; X=Cl, Y=H, Z=NO₂), X - N =N - Y (X=H, NO₂, Y=N·C₂H₅·C₂H₄OH; X=H, NO₂, CN, Y=N·C₂H₅·C₂H₄CN ; X=H, Y=N(C₂H₄OH)₂). From the shifts of visible spectra of the dyes (λ_max) in a various concentration of polyester models, ΔE was obtained as a measure of interaction between the dyes and the polyester models. The values of ΔE increased with the increasing polarity of dyes, and a linear relationship between the square of dipole moment and ΔE was obtained except for the dyes with the 2-cyanoethyl and 2-hydroxyethyl groups. From the effect of temperature on the spectra, a linear relationship was also obtained between the transition energy E_λmax corresponding to the shift for the maximum absorption band of visible spectra of the dyes and the reciplocal of temperature 1/T. These results indicate that the interactions are due to the contribution of polar van der Waal's force and to hydrogen bonding in the case of dyes with the 2-hydroxyethyl groups.

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The quaternization of 4-methyl-1-phenyl-2, 6-piperazinedione (1) with alkyl halides (2) was examined. Reactions of (1) with methyl iodide or allyl bromide in methanol and with phenacyl bromide or benzyl chloride without solvent gave the corresponding 3, 5-dioxopiperazinium salts (3) in high yields. When (1) was heated with ethyl haloacetate, unexpected products, 1, 1-dimethyl-3, 5-dioxo-4-phenylpiperazinium halide (3a) and 4-ethoxycarbonylmethyl-1-pheny1-2, 6-piperazinedione were obtained.
With an exception of 1-benzyl-1-methyl-3, 5-dioxo-4-phenylpiperazinium chloride (3e), (3) reacted with bases such as silver hydroxide, potassium t-butoxide and phenyllithium to give the corresponding betaines (4) through hydrolysis of their imide group. Treatment of (3e) with potassium t-butoxide or triethylamine gave 3-benzyl-4-methyl-1-phenyl-2, 6-piperazinedione (5e), a product resulted from the Stevens rearrangement.

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The reaction of 2, 4, 6-tri-, 2, 3, 4, 6-tetra- and 2, 3, 4, 5, 6-pentaphenylthiopyrylium tetrafluoroborates ((1), (2) and (3), respectively) with dimethyl- and methylphenylsulfonium phenacylides, sodium azide and with pyridinium-N-imide ((4), (5), (6) and (7), respectively) have been investigated.
Phenylthiopyrylium salts (1) and (2) reacted with (4) and (5) to form phenylbenzophenone derivatives. In the case of the reactions with (6) and (7), phenylthiopyrylium salts (1), (2) and (3) afforded phenylpyridine derivatives. The mechanisms of the above reactions are discussed.

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The cleavage reactions of the tosylhydrazino group in dimethyl 1-methyl-1-(N′-tosylhydrazino) ethylphosphonate (1) and dimethyl 1-(N′-tosylhydrazino) cyclohexylphosphonate (6) were investigated using various reagents and solvents. In the case of basic reagents in alcohols, the yields of s-alkylphosphonates were low bacause of elimination of dimethyl phosphonate. When sodium borohydride in alcohols was used, the α, β-unsaturated phosphonates were obtained. The best yield was obtained by using borohydride derivatives in tetrahyrofuran.

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The liquid phase ammonolysis of phenols has been investigated to find out the effective catalysts for the aniline synthesis. Among various catalysts examined, metal chlorides generally showed catalytic activity and SnCl₂ was the most suitable catalyst for the aniline formation. For example, when phenol (0.2 mol) was heated with NH₃ (0.8 mol) in the presence of SnCl₂ (10 mmol) at 340°C for 3 hr, aniline was obtained in a 56% yield and with a 95% selectivity. The only by-product detected was diphenylamine, the yield of which increased with a decrease in NH₃ amount used. From the investigation of the inhibiting effect of NaOH on the ammonolysis, it was suggested that SnCl₂ acts as an acid catalyst. The addition of H₂O to the reaction system was found to depress the aniline formation because of its diluting and poisoning effect. A plausible reaction pathway is presented in which phenol reacts with SnCl₂ to form an active intermediate. Ammonolysis to aniline follows. Cresols and 1-naphthol were also aminated to the corresponding aromatic amines in good yields by using the SnCl₂ catalyst.

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The polymerizations of methyl methacrylate (MMA) initiated thermally by α, α′-azobis (isobutyronitrile) (AIBN) and photosensitized by α, α′-azobis (cyclohexanecarbonitrile) (ACN) have been carried out in various solvents. The thermal and photosensitized polymerization rates (R_pth and R_pph, respectively) changed markedly and increased in the following order with respect to solvents 1, 1, 1-trichloroethane < toluene < benzene < ethylbenzene < 1, 2-dichloroethane < anisole < o-dichlorobenzene < benzonitrile < 1, 2, 4-trichlorobenzene < 1, 1, 2, 2-tetrachloroethane < benzyl alcohol. The rate of initiation (Ri) was practically independent of these solvents in contrast to the changes in the values of 2k_t/k_p². The values of 2k_t/k_p were obtained by means of the rotating sector method. The propagation rate constant (k_p) and termination rate constant (2k_t) were derived on the basis of the values of 2k_t/k_p² and 2k_t/k_p. The k_p values changed slightly in these solvents, but the change was less than those of R_pth and R_pph. The values of 2k_t changed in these solvents, and were found to be nearly proportional to the inverse of the viscosity of the monomer-solvent mixture.

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Birchwood digestion with cooking liquor of bicomponent, SO₂-MgSO₄, or of Mg-base sulfite was carried out by using a meal of 40-80 mesh which was extracted with ethanol-benzene, and then each cooking reaction was analyzed in the same manner as that used in the previous digestion of sprucewood.
From the kinetic studies, differences in the rate of the reaction and in the relationship among the reactions were found and discussed the relation between the two liquor systems. In the digestion of birchwood, the dissolution of carbohydrates showed a marked influence on the rate of reactions of lignin, i.e., delignification and sulfonation, as was found in the sprucewood digestion. This suggested that the dissolution of carbohydrates would accelerate the development of porous structure in a wood cell wall, and concomitantly, would contribute to an increase in reactivity of lignin.
Furthermore, some interesting differences between the two wood species were detected when their digestions were compared. This would be ascribed to more intimate cell-tissue in hardwood than that in softwood.

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The continuous analyzer of formaldehyde by the use of acetylacetone reagent has been developed by the authors was improved. To clarify whether or not the interference of various gases exist in analytical procedures of the continuous analyzer of formaldehyde, the detailed researches were carried out As the results, it was found that nitrogen dioxide gave a negative interference against the data obtained by this continuous formaldehyde analyzer. To remove the interference of nitrogen dioxide, a modified continuous analyzer for formaldehyde was developed in which the color development portion and the programmer were improved. The measurement was made intermittently once in every 2hrs by an automatic continuous analyzer with a single-path colorimeter. The sample air was bubbled into the gas-absorbing bubbler, which contained 42ml of acetylacetone reagent, for 55.5min at a constant rate of 2l/min. After the sampling, the acetylacetone reagent was heated to 50°C and then the color development was completed. Absorbance of colored product was measured at 420nm. The concentration of formaldehyde as an average of 55.5min measurement were recorded, which was graduated from 0 to 0.1 and 0.2ppm. Nitrogen monoxide, nitrogen dioxide, sulfur dioxide, ozone and other aldehydes did not interfere in this analyzer. The results obtained by the improved continuous analyzer were consistent with those of the chromotropic acid method. The coefficient of variation for a sample containing 0.04ppm of formaldehyde was 2.2%.

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The distribution of organic phosphorus pesticides in the atmosphere above the Dogo plain and Ozu basin was measured: The pesticides (IBP, MEP, Diazinon) were highly concentrated in the atmosphere in July, August, and September, 1976, corresponding to a large amount of pesticides added to the rice fields during these periods. The residual index in the atmosphere (concentration of perticides/amount of the used pesticides) was smaller than that of BHC and that of Diazinon, IBP, or MEP changed in this order. The fluctuation coefficient changed in the order of IBP, MEP or Diazinon, and the difference in concentrations in the atmosphere above the measured areas was significant. The coefficient of correlation between Diazinon and IBP was 0.73 as these pesticides were apt to spray at the same time.
When the concentration correlation matrixes were made, Ehime University, Matsuyama Technical High School, and Hojo City were found highly to correlate to these pesticides and the concentrations of pesticides in the atmosphere above these areas were smaller than those of Kawauchi Town and Iyo City. Therefore the pesticides in the atmosphere above these areas would come from other places. The IBP concentration in the atmosphere after a spray reached 37.3μg/m³ and it decreased to 61ng/m³ after about 100h.

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In order to investigate the relationship between melting points and solubility behaviors of metal soaps, copper and zinc soaps of saturated straight-chain fatty acids containing both odd and even carbon atoms were prepared, and their melting points and critical solution temperatures in benzene were measured.
In general, metal soaps of the saturated straight-chain fatty acids containing even carbon atoms gave higher melting points than those containing the next odd carbon atoms, similiarly to the phenomenon in fatty acids. The solubilities of copper and zinc soaps in benzene sharply increased at a certain temperature (the critical solution temperature), which was determined by the relation between log S and 1/T. The critical solution temperatures of metal soaps containing even carbon atoms were higher than those of metal soaps containing the next carbon atoms. From these results, the zigzag relationship between the melting point and the critical solution temperature was obtained. These show an upward trend for metal soaps containing even carbon atoms, and a downward trend for those containing odd carbon atoms.

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Complexes of [CoX₃(chta)], where X represents Cl, CH₃COO, NCS and CN, and [CoCl(en)·(chta)]²⁺ have been prepared. The absorption spectra of the complexes in the visible, ultraviolet, and infrared regions are measured and compared with those of analogous complexes.

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The potentiometric titration previously reported has been applied to the determination of weak acids with pK_a 6-8. For the concentration level of 10^-2 mol·dm^-3, weak acids with Ka 10^-6 - 5×10^-9 are determined by Eq.(2), in which neither hydrogen ion concentrations nor response slope of glass electrode nor the procedure for linear plots are required for the calculation of concentration.

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Gas chromatographic retention behavior of bromochlorofluoromethanes (25 compounds) was measured on a Silicone DC 550 column or a Porapak Q column. The logarithm of the specific retention volume (Vg) on each column correlates linearly with the composition of halogen atoms in the molecule, whereas it does not correlate linearly with the number of hydrogen atoms. The log Vg correlates linearly with the boiling point and the molecular refraction for each series of halomethanes containing the same number of hydrogen atoms.

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The coexistence of pyridine and triethylamine promotes the benzoylation of benzanilide. The effect of basicity and steric hindrance of substituted pyridines and aliphatic tertiary amines on the ease of the benzoylation has now been studied by high pressure liquid chromatography. More basic pyridine, if not sterically hindered, was found to be effective in promoting the benzoylation when the pK_a of the conjugate acid of the coexistent aliphatic tertiary amine was higher than about 8.

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The asymmetric hydrogenation of α-keto esters using the Pt-Al₂O₃ catalyst modified with cinchona alkaloid has been studied. The hydrogenation of methyl pyruvate in benzene containing a small amount of quinine with the catalyst modified by quinine gave (R)-(+)-methyl lactate in 86.8% optical yield. (R)-(-)-Ethyl mandelate was obtained in 83.9% optical yield by hydrogenation of ethyl benzoylformate with the catalyst modified by cinchonidine in benzene or diethyl ether without any additive.

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